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 2eiv_1_I DATA FIRST_RESID 2 DATA SEQUENCE ERVAVVGVPM DLXXXXXGVD MGPSALRYAR LLEQLEDLGY TVEDLGDVPV DATA SEQUENCE SXXXXXXXXX XXLAYLEEIR AAALVLKERL AALPEGVFPI VLGGDHSLSM DATA SEQUENCE GSVAGAARGR RVGVVWVDAH ADFNTPETSX SGNVHGMPLA VLSGLGHPRL DATA SEQUENCE TEVFRAVDPK DVVLVGVRSL DPGEKRLLKE AGVRVYTMHE VDRLGVARIA DATA SEQUENCE EEVLKHLQGL PLHVSLDADV LDPTLAPGVG TPVPGGLTYR EAHLLMEILA DATA SEQUENCE ESGRVQSLDL VEVNPILDER NRTAEMLVGL ALSLLGKRIF 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.752 176.600 0.253 0.000 1.382 2 E CA 0.000 56.505 56.400 0.175 0.000 0.976 2 E CB 0.000 29.729 29.700 0.048 0.000 0.812 3 R N 0.613 121.244 120.500 0.219 0.000 2.740 3 R HA 0.816 5.156 4.340 0.000 0.000 0.282 3 R C -1.450 174.921 176.300 0.119 0.000 0.969 3 R CA -1.009 55.187 56.100 0.160 0.000 0.918 3 R CB 2.624 32.989 30.300 0.108 0.000 1.175 3 R HN -0.056 nan 8.270 nan 0.000 0.464 4 V N 1.590 121.549 119.914 0.076 0.000 2.777 4 V HA 0.569 4.689 4.120 0.000 0.000 0.306 4 V C -0.941 175.185 176.094 0.055 0.000 1.112 4 V CA -0.815 61.515 62.300 0.050 0.000 0.917 4 V CB 1.984 33.738 31.823 -0.114 0.000 1.018 4 V HN 0.932 nan 8.190 nan 0.000 0.426 5 A N 4.283 127.146 122.820 0.071 0.000 2.312 5 A HA 0.910 5.230 4.320 0.000 0.000 0.326 5 A C -0.881 176.724 177.584 0.036 0.000 1.172 5 A CA -0.548 51.514 52.037 0.042 0.000 0.821 5 A CB 1.573 20.592 19.000 0.032 0.000 1.166 5 A HN 0.821 nan 8.150 nan 0.000 0.493 6 V N 2.767 122.692 119.914 0.018 0.000 2.447 6 V HA 0.512 4.632 4.120 0.000 0.000 0.292 6 V C -0.561 175.534 176.094 0.001 0.000 1.021 6 V CA -0.516 61.789 62.300 0.010 0.000 0.850 6 V CB 1.109 32.932 31.823 0.001 0.000 1.005 6 V HN 0.855 nan 8.190 nan 0.000 0.426 7 V N 4.489 124.403 119.914 0.000 0.000 2.656 7 V HA 0.960 5.080 4.120 0.000 0.000 0.307 7 V C 0.336 176.426 176.094 -0.007 0.000 1.051 7 V CA 0.125 62.423 62.300 -0.003 0.000 0.893 7 V CB 1.967 33.789 31.823 -0.001 0.000 0.999 7 V HN 0.903 nan 8.190 nan 0.000 0.426 8 G N 4.185 112.980 108.800 -0.008 0.000 2.371 8 G HA2 0.571 4.532 3.960 0.000 0.000 0.326 8 G HA3 0.571 4.532 3.960 0.000 0.000 0.326 8 G C -0.950 173.945 174.900 -0.009 0.000 1.127 8 G CA -0.463 44.630 45.100 -0.011 0.000 0.885 8 G HN 0.998 nan 8.290 nan 0.000 0.477 9 V N 3.483 123.389 119.914 -0.013 0.000 2.260 9 V HA 0.235 4.355 4.120 0.000 0.000 0.263 9 V C -1.831 174.253 176.094 -0.017 0.000 1.036 9 V CA -1.333 60.960 62.300 -0.011 0.000 0.874 9 V CB 1.305 33.122 31.823 -0.011 0.000 1.116 9 V HN 0.714 nan 8.190 nan 0.000 0.454 10 P HA -0.027 nan 4.420 nan 0.000 0.229 10 P C -0.139 177.144 177.300 -0.028 0.000 1.597 10 P CA 0.424 63.511 63.100 -0.020 0.000 1.030 10 P CB 0.126 31.819 31.700 -0.011 0.000 1.897 11 M N 2.239 121.819 119.600 -0.034 0.000 2.180 11 M HA 0.321 4.801 4.480 0.000 0.000 0.350 11 M C -0.731 175.533 176.300 -0.061 0.000 1.125 11 M CA -0.161 55.113 55.300 -0.044 0.000 1.031 11 M CB 1.016 33.600 32.600 -0.027 0.000 1.623 11 M HN -0.174 nan 8.290 nan 0.000 0.451 12 D N 6.203 126.552 120.400 -0.085 0.000 2.323 12 D HA 0.426 5.066 4.640 0.000 0.000 0.242 12 D C -1.867 174.343 176.300 -0.151 0.000 1.347 12 D CA -0.131 53.812 54.000 -0.095 0.000 0.988 12 D CB 0.790 41.541 40.800 -0.081 0.000 1.314 12 D HN 0.602 nan 8.370 nan 0.000 0.564 20 V N -0.219 119.661 119.914 -0.056 0.000 3.510 20 V HA 0.019 4.139 4.120 0.000 0.000 0.270 20 V C 2.026 178.089 176.094 -0.052 0.000 1.201 20 V CA 1.659 63.922 62.300 -0.062 0.000 1.166 20 V CB -0.331 31.437 31.823 -0.092 0.000 0.825 20 V HN 0.679 nan 8.190 nan 0.000 0.484 21 D N 1.343 121.716 120.400 -0.046 0.000 2.182 21 D HA -0.262 4.378 4.640 0.000 0.000 0.201 21 D C 1.790 178.077 176.300 -0.021 0.000 0.986 21 D CA 1.514 55.492 54.000 -0.036 0.000 0.847 21 D CB -0.301 40.477 40.800 -0.036 0.000 0.942 21 D HN 0.517 nan 8.370 nan 0.000 0.467 22 M N 0.932 120.521 119.600 -0.017 0.000 2.691 22 M HA 0.152 4.632 4.480 0.000 0.000 0.227 22 M C 1.998 178.298 176.300 0.000 0.000 1.120 22 M CA 0.287 55.585 55.300 -0.003 0.000 1.034 22 M CB 0.201 32.798 32.600 -0.004 0.000 1.675 22 M HN 0.058 nan 8.290 nan 0.000 0.514 23 G N 2.232 111.022 108.800 -0.016 0.000 2.511 23 G HA2 -0.161 3.800 3.960 0.000 0.000 0.216 23 G HA3 -0.161 3.800 3.960 0.000 0.000 0.216 23 G C -0.998 173.899 174.900 -0.006 0.000 1.218 23 G CA 0.650 45.737 45.100 -0.021 0.000 0.788 23 G HN 0.327 nan 8.290 nan 0.000 0.560 24 P HA -0.048 nan 4.420 nan 0.000 0.216 24 P C 2.275 179.587 177.300 0.019 0.000 1.150 24 P CA 1.654 64.752 63.100 -0.003 0.000 0.843 24 P CB -0.048 31.647 31.700 -0.007 0.000 0.787 25 S N -0.994 114.733 115.700 0.044 0.000 2.368 25 S HA -0.125 4.346 4.470 0.000 0.000 0.225 25 S C 1.980 176.689 174.600 0.182 0.000 1.030 25 S CA 1.370 59.633 58.200 0.105 0.000 0.999 25 S CB -0.925 62.346 63.200 0.119 0.000 0.844 25 S HN 0.123 nan 8.310 nan 0.000 0.459 26 A N 1.262 124.155 122.820 0.122 0.000 1.855 26 A HA 0.066 4.386 4.320 0.000 0.000 0.215 26 A C 2.046 179.691 177.584 0.103 0.000 1.191 26 A CA 1.023 53.136 52.037 0.127 0.000 0.613 26 A CB -0.796 18.237 19.000 0.055 0.000 0.829 26 A HN 0.446 nan 8.150 nan 0.000 0.442 27 L N -0.962 120.289 121.223 0.047 0.000 2.263 27 L HA -0.209 4.131 4.340 0.000 0.000 0.216 27 L C 2.801 179.679 176.870 0.013 0.000 1.111 27 L CA 1.282 56.134 54.840 0.021 0.000 0.773 27 L CB -0.339 41.717 42.059 -0.005 0.000 0.906 27 L HN 0.368 nan 8.230 nan 0.000 0.439 28 R N -1.593 118.910 120.500 0.005 0.000 2.093 28 R HA -0.085 4.255 4.340 0.000 0.000 0.224 28 R C 1.756 177.977 176.300 -0.132 0.000 1.101 28 R CA 0.869 56.922 56.100 -0.079 0.000 0.979 28 R CB -0.085 30.131 30.300 -0.139 0.000 0.877 28 R HN 0.233 nan 8.270 nan 0.000 0.441 29 Y N -0.259 120.040 120.300 -0.003 0.000 2.619 29 Y HA 0.045 4.595 4.550 0.000 0.000 0.308 29 Y C 1.575 177.476 175.900 0.002 0.000 1.192 29 Y CA 0.388 58.488 58.100 -0.001 0.000 1.319 29 Y CB 0.289 38.748 38.460 -0.002 0.000 1.030 29 Y HN 0.097 nan 8.280 nan 0.000 0.517 30 A N -0.219 122.657 122.820 0.092 0.000 2.348 30 A HA 0.232 4.552 4.320 0.000 0.000 0.224 30 A C 0.925 178.528 177.584 0.033 0.000 1.227 30 A CA -0.274 51.802 52.037 0.065 0.000 0.885 30 A CB -0.221 18.810 19.000 0.051 0.000 0.933 30 A HN 0.423 nan 8.150 nan 0.000 0.506 31 R N -1.845 118.658 120.500 0.005 0.000 3.332 31 R HA -0.192 4.148 4.340 0.000 0.000 0.263 31 R C 0.728 177.023 176.300 -0.007 0.000 1.053 31 R CA 0.601 56.694 56.100 -0.012 0.000 0.705 31 R CB -2.447 27.857 30.300 0.006 0.000 1.166 31 R HN 0.493 nan 8.270 nan 0.000 0.427 32 L N 0.471 121.685 121.223 -0.014 0.000 1.989 32 L HA -0.134 4.206 4.340 0.000 0.000 0.211 32 L C 2.053 178.916 176.870 -0.011 0.000 1.071 32 L CA 2.064 56.897 54.840 -0.011 0.000 0.749 32 L CB -0.374 41.674 42.059 -0.018 0.000 0.890 32 L HN 0.450 nan 8.230 nan 0.000 0.431 33 L N -0.318 120.893 121.223 -0.021 0.000 1.933 33 L HA -0.296 4.045 4.340 0.000 0.000 0.220 33 L C 2.527 179.398 176.870 0.001 0.000 1.078 33 L CA 2.109 56.940 54.840 -0.014 0.000 0.773 33 L CB -0.657 41.385 42.059 -0.029 0.000 0.890 33 L HN 0.303 nan 8.230 nan 0.000 0.434 34 E N -0.455 119.741 120.200 -0.006 0.000 2.068 34 E HA -0.331 4.019 4.350 0.000 0.000 0.207 34 E C 2.119 178.728 176.600 0.016 0.000 1.032 34 E CA 2.056 58.458 56.400 0.003 0.000 0.839 34 E CB -0.480 29.219 29.700 -0.002 0.000 0.758 34 E HN 0.536 nan 8.360 nan 0.000 0.457 35 Q N -0.170 119.640 119.800 0.016 0.000 2.152 35 Q HA -0.181 4.159 4.340 0.000 0.000 0.206 35 Q C 2.407 178.434 176.000 0.045 0.000 0.985 35 Q CA 1.243 57.062 55.803 0.026 0.000 0.863 35 Q CB -0.305 28.449 28.738 0.025 0.000 0.904 35 Q HN 0.310 nan 8.270 nan 0.000 0.422 36 L N 0.474 121.727 121.223 0.049 0.000 2.093 36 L HA -0.200 4.140 4.340 0.000 0.000 0.208 36 L C 2.174 179.132 176.870 0.147 0.000 1.085 36 L CA 1.233 56.133 54.840 0.100 0.000 0.755 36 L CB -0.182 41.901 42.059 0.040 0.000 0.904 36 L HN 0.245 nan 8.230 nan 0.000 0.435 37 E N -0.424 119.825 120.200 0.082 0.000 2.072 37 E HA -0.188 4.162 4.350 0.000 0.000 0.190 37 E C 1.610 178.228 176.600 0.030 0.000 0.982 37 E CA 0.933 57.370 56.400 0.062 0.000 0.803 37 E CB -0.053 29.668 29.700 0.036 0.000 0.755 37 E HN 0.417 nan 8.360 nan 0.000 0.453 38 D N 0.810 121.225 120.400 0.026 0.000 2.228 38 D HA -0.147 4.493 4.640 0.000 0.000 0.203 38 D C 1.581 177.881 176.300 0.001 0.000 0.988 38 D CA 0.677 54.683 54.000 0.010 0.000 0.864 38 D CB 0.004 40.812 40.800 0.013 0.000 0.928 38 D HN 0.081 nan 8.370 nan 0.000 0.469 39 L N -0.622 120.613 121.223 0.021 0.000 2.591 39 L HA 0.241 4.581 4.340 0.000 0.000 0.228 39 L C 1.405 178.198 176.870 -0.128 0.000 1.133 39 L CA 0.954 55.792 54.840 -0.003 0.000 0.880 39 L CB -0.215 41.906 42.059 0.104 0.000 1.033 39 L HN 0.182 nan 8.230 nan 0.000 0.450 40 G N -2.011 106.724 108.800 -0.108 0.000 2.157 40 G HA2 -0.316 3.644 3.960 0.000 0.000 0.239 40 G HA3 -0.316 3.644 3.960 0.000 0.000 0.239 40 G C -0.066 174.686 174.900 -0.247 0.000 0.982 40 G CA 0.087 45.077 45.100 -0.184 0.000 0.650 40 G HN 0.277 nan 8.290 nan 0.000 0.527 41 Y N 1.924 122.204 120.300 -0.032 0.000 2.313 41 Y HA 0.509 5.059 4.550 0.000 0.000 0.332 41 Y C 1.334 177.222 175.900 -0.020 0.000 1.071 41 Y CA 0.085 58.164 58.100 -0.034 0.000 1.169 41 Y CB 1.323 39.751 38.460 -0.053 0.000 1.192 41 Y HN 0.239 nan 8.280 nan 0.000 0.487 42 T N 1.268 115.913 114.554 0.153 0.000 2.729 42 T HA 0.562 4.913 4.350 0.000 0.000 0.296 42 T C -0.489 174.273 174.700 0.103 0.000 0.928 42 T CA -0.751 61.404 62.100 0.091 0.000 1.045 42 T CB -0.166 68.737 68.868 0.059 0.000 0.902 42 T HN 0.302 nan 8.240 nan 0.000 0.500 43 V N 3.300 123.259 119.914 0.074 0.000 2.459 43 V HA 0.526 4.647 4.120 0.000 0.000 0.295 43 V C 0.167 176.280 176.094 0.032 0.000 1.029 43 V CA -0.966 61.364 62.300 0.051 0.000 0.874 43 V CB 1.399 33.245 31.823 0.038 0.000 0.985 43 V HN 1.006 nan 8.190 nan 0.000 0.438 44 E N 2.988 123.205 120.200 0.028 0.000 2.145 44 E HA 0.249 4.599 4.350 0.000 0.000 0.270 44 E C -1.301 175.306 176.600 0.011 0.000 0.906 44 E CA -0.625 55.787 56.400 0.019 0.000 0.761 44 E CB 1.479 31.193 29.700 0.023 0.000 1.116 44 E HN 0.750 nan 8.360 nan 0.000 0.408 45 D N 5.769 126.171 120.400 0.003 0.000 2.411 45 D HA 0.097 4.737 4.640 0.000 0.000 0.225 45 D C 0.819 177.118 176.300 -0.002 0.000 1.156 45 D CA -0.300 53.698 54.000 -0.004 0.000 0.874 45 D CB 0.665 41.456 40.800 -0.015 0.000 1.034 45 D HN 0.569 nan 8.370 nan 0.000 0.502 46 L N 3.036 124.260 121.223 0.001 0.000 2.675 46 L HA 0.222 4.562 4.340 0.000 0.000 0.239 46 L C 1.507 178.377 176.870 -0.000 0.000 1.151 46 L CA -0.020 54.822 54.840 0.002 0.000 0.905 46 L CB -1.304 40.758 42.059 0.004 0.000 1.057 46 L HN 0.532 nan 8.230 nan 0.000 0.435 47 G N 0.722 109.520 108.800 -0.004 0.000 2.804 47 G HA2 -0.233 3.727 3.960 0.000 0.000 0.230 47 G HA3 -0.233 3.727 3.960 0.000 0.000 0.230 47 G C -0.756 174.143 174.900 -0.003 0.000 1.386 47 G CA -0.613 44.485 45.100 -0.004 0.000 0.875 47 G HN 0.261 nan 8.290 nan 0.000 0.557 48 D N -0.329 120.070 120.400 -0.001 0.000 2.225 48 D HA 0.486 5.127 4.640 0.000 0.000 0.248 48 D C 0.851 177.153 176.300 0.004 0.000 1.096 48 D CA -0.280 53.720 54.000 0.001 0.000 0.863 48 D CB 1.646 42.448 40.800 0.002 0.000 1.156 48 D HN 0.422 nan 8.370 nan 0.000 0.450 49 V N 4.408 124.324 119.914 0.004 0.000 2.843 49 V HA 0.179 4.300 4.120 0.000 0.000 0.305 49 V C -1.787 174.312 176.094 0.009 0.000 1.065 49 V CA -0.922 61.383 62.300 0.008 0.000 1.116 49 V CB 0.826 32.655 31.823 0.009 0.000 0.968 49 V HN 0.535 nan 8.190 nan 0.000 0.487 50 P HA 0.544 nan 4.420 nan 0.000 0.279 50 P C -1.073 176.236 177.300 0.015 0.000 1.252 50 P CA -0.317 62.791 63.100 0.013 0.000 0.811 50 P CB 1.440 33.149 31.700 0.015 0.000 1.035 51 V N -0.094 119.828 119.914 0.012 0.000 3.147 51 V HA 0.827 4.948 4.120 0.000 0.000 0.306 51 V C 0.074 176.177 176.094 0.015 0.000 1.209 51 V CA 0.120 62.427 62.300 0.013 0.000 1.023 51 V CB 1.725 33.547 31.823 -0.002 0.000 1.059 51 V HN 1.003 nan 8.190 nan 0.000 0.435 65 A N 0.277 123.132 122.820 0.059 0.000 2.592 65 A HA 0.029 4.349 4.320 0.000 0.000 0.250 65 A C -0.098 177.616 177.584 0.216 0.000 1.017 65 A CA 0.838 52.941 52.037 0.110 0.000 0.794 65 A CB -1.287 17.808 19.000 0.159 0.000 0.917 65 A HN 0.548 nan 8.150 nan 0.000 0.515 66 Y N -0.020 120.294 120.300 0.024 0.000 3.875 66 Y HA -0.291 4.259 4.550 0.000 0.000 0.216 66 Y C 1.384 177.300 175.900 0.026 0.000 1.148 66 Y CA 0.826 58.942 58.100 0.026 0.000 1.629 66 Y CB -1.955 36.524 38.460 0.032 0.000 1.506 66 Y HN 0.729 nan 8.280 nan 0.000 0.629 67 L N 0.118 121.421 121.223 0.134 0.000 1.933 67 L HA -0.305 4.035 4.340 0.000 0.000 0.220 67 L C 2.334 179.248 176.870 0.073 0.000 1.078 67 L CA 2.121 57.014 54.840 0.088 0.000 0.773 67 L CB -0.178 41.908 42.059 0.045 0.000 0.890 67 L HN 0.256 nan 8.230 nan 0.000 0.434 68 E N 0.014 120.239 120.200 0.043 0.000 2.147 68 E HA -0.294 4.056 4.350 0.000 0.000 0.199 68 E C 1.997 178.640 176.600 0.071 0.000 1.005 68 E CA 1.692 58.114 56.400 0.036 0.000 0.810 68 E CB -0.239 29.471 29.700 0.016 0.000 0.736 68 E HN 0.572 nan 8.360 nan 0.000 0.460 69 E N 0.407 120.672 120.200 0.109 0.000 2.051 69 E HA -0.090 4.260 4.350 0.000 0.000 0.192 69 E C 2.212 178.876 176.600 0.106 0.000 0.991 69 E CA 0.662 57.139 56.400 0.128 0.000 0.799 69 E CB -0.198 29.636 29.700 0.224 0.000 0.748 69 E HN 0.249 nan 8.360 nan 0.000 0.449 70 I N 0.389 121.027 120.570 0.113 0.000 2.113 70 I HA -0.314 3.856 4.170 0.000 0.000 0.238 70 I C 2.655 178.834 176.117 0.103 0.000 1.070 70 I CA 1.257 62.608 61.300 0.085 0.000 1.332 70 I CB -0.263 37.786 38.000 0.081 0.000 1.044 70 I HN 0.081 nan 8.210 nan 0.000 0.402 71 R N 1.174 121.756 120.500 0.136 0.000 2.119 71 R HA -0.254 4.086 4.340 0.000 0.000 0.246 71 R C 2.258 178.680 176.300 0.203 0.000 1.146 71 R CA 1.875 58.117 56.100 0.237 0.000 0.962 71 R CB -0.345 30.047 30.300 0.153 0.000 0.863 71 R HN 0.400 nan 8.270 nan 0.000 0.442 72 A N 0.924 123.812 122.820 0.114 0.000 1.837 72 A HA -0.176 4.144 4.320 0.000 0.000 0.216 72 A C 2.432 180.072 177.584 0.094 0.000 1.210 72 A CA 2.160 54.247 52.037 0.083 0.000 0.632 72 A CB -1.320 17.717 19.000 0.062 0.000 0.843 72 A HN 0.569 nan 8.150 nan 0.000 0.448 73 A N -0.664 122.204 122.820 0.079 0.000 2.024 73 A HA 0.122 4.443 4.320 0.000 0.000 0.220 73 A C 2.429 180.058 177.584 0.075 0.000 1.164 73 A CA 2.263 54.338 52.037 0.062 0.000 0.643 73 A CB -0.978 18.047 19.000 0.042 0.000 0.806 73 A HN 1.203 nan 8.150 nan 0.000 0.451 74 A N -0.767 122.119 122.820 0.109 0.000 1.898 74 A HA 0.004 4.324 4.320 0.000 0.000 0.216 74 A C 2.085 179.812 177.584 0.238 0.000 1.181 74 A CA 1.697 53.793 52.037 0.099 0.000 0.620 74 A CB -0.482 18.543 19.000 0.042 0.000 0.819 74 A HN 0.551 nan 8.150 nan 0.000 0.442 75 L N -0.199 121.211 121.223 0.311 0.000 2.131 75 L HA -0.018 4.322 4.340 0.000 0.000 0.206 75 L C 2.324 179.263 176.870 0.116 0.000 1.087 75 L CA 1.416 56.395 54.840 0.230 0.000 0.767 75 L CB -0.415 41.708 42.059 0.105 0.000 0.917 75 L HN 0.149 nan 8.230 nan 0.000 0.441 76 V N -0.398 119.567 119.914 0.085 0.000 2.660 76 V HA -0.262 3.858 4.120 0.000 0.000 0.257 76 V C 2.311 178.434 176.094 0.047 0.000 1.088 76 V CA 1.771 64.102 62.300 0.051 0.000 1.106 76 V CB -0.586 31.262 31.823 0.041 0.000 0.686 76 V HN 0.459 nan 8.190 nan 0.000 0.481 77 L N -0.141 121.119 121.223 0.061 0.000 2.286 77 L HA 0.110 4.450 4.340 0.000 0.000 0.203 77 L C 2.345 179.245 176.870 0.050 0.000 1.068 77 L CA 1.596 56.461 54.840 0.042 0.000 0.811 77 L CB -0.597 41.478 42.059 0.027 0.000 0.989 77 L HN 0.149 nan 8.230 nan 0.000 0.467 78 K N -0.231 120.230 120.400 0.102 0.000 2.293 78 K HA -0.230 4.090 4.320 0.000 0.000 0.204 78 K C 1.355 177.990 176.600 0.059 0.000 1.045 78 K CA 1.998 58.354 56.287 0.115 0.000 0.933 78 K CB 0.052 32.695 32.500 0.238 0.000 0.736 78 K HN 0.537 nan 8.250 nan 0.000 0.463 79 E N -0.971 119.257 120.200 0.046 0.000 2.447 79 E HA -0.030 4.320 4.350 0.000 0.000 0.204 79 E C 1.667 178.275 176.600 0.014 0.000 0.977 79 E CA -0.149 56.265 56.400 0.024 0.000 0.950 79 E CB 0.379 30.090 29.700 0.019 0.000 0.975 79 E HN 0.119 nan 8.360 nan 0.000 0.496 80 R N 1.210 121.719 120.500 0.015 0.000 2.148 80 R HA -0.042 4.298 4.340 0.000 0.000 0.227 80 R C 1.709 178.011 176.300 0.003 0.000 1.103 80 R CA 1.114 57.220 56.100 0.009 0.000 0.983 80 R CB -0.142 30.163 30.300 0.009 0.000 0.874 80 R HN 0.133 nan 8.270 nan 0.000 0.451 81 L N -0.817 120.406 121.223 -0.001 0.000 2.202 81 L HA 0.224 4.565 4.340 0.000 0.000 0.205 81 L C 2.447 179.310 176.870 -0.011 0.000 1.083 81 L CA 0.743 55.576 54.840 -0.012 0.000 0.790 81 L CB -0.618 41.424 42.059 -0.028 0.000 0.942 81 L HN 0.239 nan 8.230 nan 0.000 0.452 82 A N 0.797 123.614 122.820 -0.005 0.000 1.908 82 A HA -0.185 4.135 4.320 0.000 0.000 0.218 82 A C 2.541 180.123 177.584 -0.002 0.000 1.181 82 A CA 1.834 53.868 52.037 -0.004 0.000 0.627 82 A CB -0.654 18.346 19.000 -0.000 0.000 0.818 82 A HN 0.374 nan 8.150 nan 0.000 0.445 83 A N -0.509 122.311 122.820 0.001 0.000 2.019 83 A HA 0.148 4.468 4.320 0.000 0.000 0.219 83 A C 1.165 178.751 177.584 0.004 0.000 1.164 83 A CA 0.498 52.536 52.037 0.003 0.000 0.644 83 A CB -0.641 18.362 19.000 0.004 0.000 0.805 83 A HN 0.481 nan 8.150 nan 0.000 0.449 84 L N 0.221 121.446 121.223 0.003 0.000 2.499 84 L HA 0.111 4.451 4.340 0.000 0.000 0.281 84 L C -2.115 174.760 176.870 0.009 0.000 1.234 84 L CA -1.470 53.373 54.840 0.006 0.000 0.839 84 L CB -0.101 41.960 42.059 0.003 0.000 1.104 84 L HN 0.086 nan 8.230 nan 0.000 0.500 85 P HA 0.026 nan 4.420 nan 0.000 0.268 85 P C -0.511 176.801 177.300 0.020 0.000 1.204 85 P CA -0.182 62.929 63.100 0.018 0.000 0.768 85 P CB 0.413 32.126 31.700 0.023 0.000 0.842 86 E N 1.696 121.907 120.200 0.018 0.000 2.481 86 E HA 0.080 4.430 4.350 0.000 0.000 0.263 86 E C 1.368 177.987 176.600 0.031 0.000 0.992 86 E CA 1.675 58.087 56.400 0.019 0.000 0.938 86 E CB 0.124 29.835 29.700 0.017 0.000 0.933 86 E HN 0.812 nan 8.360 nan 0.000 0.453 87 G N 1.817 110.640 108.800 0.039 0.000 2.195 87 G HA2 -0.268 3.692 3.960 0.000 0.000 0.246 87 G HA3 -0.268 3.692 3.960 0.000 0.000 0.246 87 G C 0.148 175.098 174.900 0.083 0.000 0.984 87 G CA 0.205 45.342 45.100 0.060 0.000 0.633 87 G HN 0.408 nan 8.290 nan 0.000 0.525 88 V N 1.243 121.198 119.914 0.069 0.000 2.432 88 V HA 0.595 4.715 4.120 0.000 0.000 0.275 88 V C 0.420 176.579 176.094 0.108 0.000 1.043 88 V CA -0.780 61.575 62.300 0.092 0.000 0.925 88 V CB 1.361 33.221 31.823 0.061 0.000 0.985 88 V HN 0.310 nan 8.190 nan 0.000 0.466 89 F N 8.413 128.355 119.950 -0.013 0.000 2.471 89 F HA 0.418 4.945 4.527 0.000 0.000 0.365 89 F C -2.036 173.741 175.800 -0.037 0.000 1.095 89 F CA -1.890 56.090 58.000 -0.034 0.000 1.174 89 F CB 0.957 39.903 39.000 -0.090 0.000 1.105 89 F HN 0.337 nan 8.300 nan 0.000 0.535 90 P HA 0.381 nan 4.420 nan 0.000 0.294 90 P C -0.897 176.357 177.300 -0.077 0.000 1.294 90 P CA -0.253 62.795 63.100 -0.087 0.000 0.827 90 P CB 1.601 33.232 31.700 -0.114 0.000 0.992 91 I N 2.772 123.365 120.570 0.039 0.000 2.447 91 I HA 0.280 4.450 4.170 0.000 0.000 0.287 91 I C -0.586 175.542 176.117 0.018 0.000 1.023 91 I CA -1.078 60.259 61.300 0.061 0.000 1.083 91 I CB 2.196 40.258 38.000 0.104 0.000 1.245 91 I HN -0.053 nan 8.210 nan 0.000 0.434 92 V N 7.348 127.267 119.914 0.008 0.000 2.350 92 V HA 0.358 4.478 4.120 0.000 0.000 0.276 92 V C 0.215 176.298 176.094 -0.019 0.000 1.028 92 V CA -0.547 61.750 62.300 -0.004 0.000 0.860 92 V CB 1.451 33.274 31.823 -0.001 0.000 0.990 92 V HN 0.472 nan 8.190 nan 0.000 0.453 93 L N 5.040 126.250 121.223 -0.021 0.000 2.305 93 L HA 0.739 5.079 4.340 0.000 0.000 0.281 93 L C 0.847 177.694 176.870 -0.038 0.000 1.085 93 L CA 0.212 55.032 54.840 -0.033 0.000 0.813 93 L CB 1.000 43.045 42.059 -0.024 0.000 1.157 93 L HN 0.776 nan 8.230 nan 0.000 0.436 94 G N 1.290 110.055 108.800 -0.058 0.000 3.022 94 G HA2 0.702 4.662 3.960 0.000 0.000 0.284 94 G HA3 0.702 4.662 3.960 0.000 0.000 0.284 94 G C -0.323 174.535 174.900 -0.069 0.000 1.375 94 G CA 0.093 45.158 45.100 -0.059 0.000 0.902 94 G HN 0.683 nan 8.290 nan 0.000 0.538 95 G N -1.257 107.503 108.800 -0.067 0.000 3.267 95 G HA2 0.417 4.377 3.960 0.000 0.000 0.200 95 G HA3 0.417 4.377 3.960 0.000 0.000 0.200 95 G C -0.616 174.228 174.900 -0.092 0.000 1.603 95 G CA -0.215 44.838 45.100 -0.078 0.000 0.753 95 G HN 0.498 nan 8.290 nan 0.000 0.755 96 D N -0.067 120.284 120.400 -0.081 0.000 2.667 96 D HA -0.043 4.597 4.640 0.000 0.000 0.226 96 D C 0.715 177.033 176.300 0.031 0.000 1.137 96 D CA 0.670 54.633 54.000 -0.062 0.000 0.855 96 D CB 0.644 41.442 40.800 -0.004 0.000 1.194 96 D HN 0.514 nan 8.370 nan 0.000 0.492 97 H N 0.248 119.304 119.070 -0.023 0.000 2.551 97 H HA -0.027 4.529 4.556 0.000 0.000 0.266 97 H C 1.500 176.887 175.328 0.098 0.000 0.977 97 H CA 0.234 56.300 56.048 0.028 0.000 1.163 97 H CB 0.559 30.381 29.762 0.100 0.000 1.381 97 H HN 0.255 nan 8.280 nan 0.000 0.581 98 S N 0.993 116.822 115.700 0.214 0.000 2.419 98 S HA -0.182 4.288 4.470 0.000 0.000 0.233 98 S C 2.107 176.719 174.600 0.021 0.000 1.016 98 S CA 1.121 59.389 58.200 0.113 0.000 0.974 98 S CB -0.328 62.934 63.200 0.103 0.000 0.786 98 S HN 0.478 nan 8.310 nan 0.000 0.492 99 L N 1.038 122.284 121.223 0.039 0.000 2.187 99 L HA 0.083 4.424 4.340 0.000 0.000 0.213 99 L C 1.919 178.778 176.870 -0.019 0.000 1.100 99 L CA 1.452 56.287 54.840 -0.010 0.000 0.765 99 L CB -1.404 40.658 42.059 0.004 0.000 0.904 99 L HN 0.040 nan 8.230 nan 0.000 0.437 100 S N -0.502 115.241 115.700 0.072 0.000 2.442 100 S HA -0.048 4.423 4.470 0.000 0.000 0.236 100 S C 1.821 176.422 174.600 0.002 0.000 1.007 100 S CA 1.528 59.791 58.200 0.104 0.000 0.965 100 S CB -0.423 62.929 63.200 0.252 0.000 0.773 100 S HN 0.552 nan 8.310 nan 0.000 0.504 101 M N 0.421 119.920 119.600 -0.168 0.000 2.117 101 M HA -0.066 4.414 4.480 0.000 0.000 0.262 101 M C 2.302 178.334 176.300 -0.446 0.000 1.065 101 M CA 1.541 56.583 55.300 -0.430 0.000 1.114 101 M CB -0.911 31.122 32.600 -0.944 0.000 1.361 101 M HN 0.421 nan 8.290 nan 0.000 0.408 102 G N 0.573 109.140 108.800 -0.389 0.000 2.705 102 G HA2 -0.234 3.726 3.960 0.000 0.000 0.214 102 G HA3 -0.234 3.726 3.960 0.000 0.000 0.214 102 G C 1.483 176.351 174.900 -0.053 0.000 1.321 102 G CA 1.556 46.595 45.100 -0.101 0.000 0.826 102 G HN 0.518 nan 8.290 nan 0.000 0.595 103 S N 0.326 115.984 115.700 -0.070 0.000 2.451 103 S HA -0.313 4.157 4.470 0.000 0.000 0.272 103 S C 2.219 176.675 174.600 -0.239 0.000 1.136 103 S CA 2.558 60.689 58.200 -0.116 0.000 1.209 103 S CB -1.220 61.933 63.200 -0.077 0.000 1.130 103 S HN 0.226 nan 8.310 nan 0.000 0.440 104 V N 3.317 123.063 119.914 -0.280 0.000 2.233 104 V HA -0.199 3.921 4.120 0.000 0.000 0.247 104 V C 3.158 179.160 176.094 -0.154 0.000 1.050 104 V CA 2.055 64.144 62.300 -0.352 0.000 1.010 104 V CB -1.790 29.965 31.823 -0.113 0.000 0.637 104 V HN 0.773 nan 8.190 nan 0.000 0.444 105 A N 0.425 123.226 122.820 -0.032 0.000 1.859 105 A HA -0.227 4.094 4.320 0.000 0.000 0.218 105 A C 2.413 179.997 177.584 -0.001 0.000 1.209 105 A CA 2.656 54.715 52.037 0.037 0.000 0.639 105 A CB -1.593 17.507 19.000 0.166 0.000 0.835 105 A HN 0.573 nan 8.150 nan 0.000 0.450 106 G N -0.883 107.915 108.800 -0.004 0.000 2.552 106 G HA2 -0.046 3.914 3.960 0.000 0.000 0.216 106 G HA3 -0.046 3.914 3.960 0.000 0.000 0.216 106 G C 1.837 176.702 174.900 -0.058 0.000 1.240 106 G CA 2.060 47.148 45.100 -0.021 0.000 0.796 106 G HN 1.133 nan 8.290 nan 0.000 0.568 107 A N 0.936 123.689 122.820 -0.111 0.000 2.054 107 A HA 0.043 4.363 4.320 0.000 0.000 0.223 107 A C 2.750 180.275 177.584 -0.099 0.000 1.169 107 A CA 2.701 54.656 52.037 -0.136 0.000 0.655 107 A CB -0.728 18.133 19.000 -0.231 0.000 0.812 107 A HN 0.976 nan 8.150 nan 0.000 0.462 108 A N -1.286 121.483 122.820 -0.086 0.000 1.872 108 A HA 0.083 4.403 4.320 0.000 0.000 0.214 108 A C 1.368 178.938 177.584 -0.023 0.000 1.187 108 A CA 1.180 53.192 52.037 -0.043 0.000 0.614 108 A CB -0.250 18.735 19.000 -0.026 0.000 0.826 108 A HN 0.641 nan 8.150 nan 0.000 0.442 109 R N -2.530 117.958 120.500 -0.020 0.000 3.322 109 R HA -0.178 4.162 4.340 0.000 0.000 0.266 109 R C 0.955 177.252 176.300 -0.004 0.000 1.072 109 R CA 0.425 56.519 56.100 -0.011 0.000 0.715 109 R CB -2.565 27.729 30.300 -0.011 0.000 1.199 109 R HN 1.717 nan 8.270 nan 0.000 0.421 110 G N -0.729 108.070 108.800 -0.001 0.000 2.257 110 G HA2 -0.417 3.544 3.960 0.000 0.000 0.267 110 G HA3 -0.417 3.544 3.960 0.000 0.000 0.267 110 G C 0.492 175.395 174.900 0.004 0.000 0.984 110 G CA 0.750 45.851 45.100 0.002 0.000 0.626 110 G HN 0.305 nan 8.290 nan 0.000 0.540 111 R N 0.597 121.099 120.500 0.004 0.000 2.707 111 R HA 0.345 4.685 4.340 0.000 0.000 0.270 111 R C 0.891 177.198 176.300 0.012 0.000 1.083 111 R CA -0.754 55.350 56.100 0.007 0.000 1.182 111 R CB 0.170 30.474 30.300 0.007 0.000 1.084 111 R HN 0.405 nan 8.270 nan 0.000 0.528 112 R N 2.066 122.575 120.500 0.014 0.000 2.308 112 R HA 0.169 4.509 4.340 0.000 0.000 0.325 112 R C -0.506 175.810 176.300 0.027 0.000 1.161 112 R CA -0.290 55.821 56.100 0.019 0.000 1.022 112 R CB -0.140 30.169 30.300 0.015 0.000 1.091 112 R HN 0.340 nan 8.270 nan 0.000 0.497 113 V N 1.243 121.179 119.914 0.037 0.000 2.617 113 V HA 0.687 4.807 4.120 0.000 0.000 0.298 113 V C 0.564 176.701 176.094 0.073 0.000 1.048 113 V CA -0.933 61.400 62.300 0.055 0.000 0.964 113 V CB 1.697 33.558 31.823 0.064 0.000 1.004 113 V HN 0.689 nan 8.190 nan 0.000 0.466 114 G N 2.233 111.082 108.800 0.082 0.000 2.319 114 G HA2 0.542 4.503 3.960 0.000 0.000 0.308 114 G HA3 0.542 4.503 3.960 0.000 0.000 0.308 114 G C -0.701 174.281 174.900 0.135 0.000 1.117 114 G CA -0.459 44.696 45.100 0.092 0.000 0.903 114 G HN 0.785 nan 8.290 nan 0.000 0.436 115 V N 2.987 123.000 119.914 0.165 0.000 2.439 115 V HA 0.283 4.403 4.120 0.000 0.000 0.282 115 V C -0.019 176.201 176.094 0.211 0.000 1.039 115 V CA -0.494 61.942 62.300 0.226 0.000 0.913 115 V CB 1.694 33.692 31.823 0.292 0.000 0.983 115 V HN 0.445 nan 8.190 nan 0.000 0.460 116 V N 5.188 125.207 119.914 0.176 0.000 2.276 116 V HA 0.248 4.368 4.120 0.000 0.000 0.268 116 V C -0.374 175.828 176.094 0.181 0.000 1.032 116 V CA -0.572 61.824 62.300 0.160 0.000 0.810 116 V CB 1.023 32.897 31.823 0.084 0.000 1.060 116 V HN 0.888 nan 8.190 nan 0.000 0.446 117 W N 5.551 126.882 121.300 0.052 0.000 2.388 117 W HA 0.448 5.108 4.660 0.000 0.000 0.308 117 W C -0.811 175.749 176.519 0.068 0.000 1.263 117 W CA -0.258 57.128 57.345 0.068 0.000 1.286 117 W CB 1.669 31.179 29.460 0.083 0.000 1.294 117 W HN 0.304 nan 8.180 nan 0.000 0.493 118 V N 7.101 127.026 119.914 0.019 0.000 2.220 118 V HA 0.129 4.249 4.120 0.000 0.000 0.265 118 V C -0.057 176.031 176.094 -0.010 0.000 1.078 118 V CA -0.218 62.097 62.300 0.026 0.000 0.872 118 V CB 0.609 32.408 31.823 -0.041 0.000 1.121 118 V HN 0.442 nan 8.190 nan 0.000 0.460 119 D N 2.509 122.998 120.400 0.149 0.000 2.493 119 D HA 0.641 5.281 4.640 0.000 0.000 0.239 119 D C 0.583 176.972 176.300 0.149 0.000 1.049 119 D CA -0.231 53.884 54.000 0.191 0.000 1.008 119 D CB 3.049 44.140 40.800 0.485 0.000 1.398 119 D HN 0.296 nan 8.370 nan 0.000 0.513 120 A N 0.769 123.633 122.820 0.073 0.000 2.275 120 A HA 0.146 4.466 4.320 0.000 0.000 0.212 120 A C -0.001 177.390 177.584 -0.322 0.000 1.201 120 A CA 0.611 52.572 52.037 -0.127 0.000 0.843 120 A CB -0.249 18.625 19.000 -0.209 0.000 0.873 120 A HN 0.518 nan 8.150 nan 0.000 0.492 121 H N -3.233 115.959 119.070 0.204 0.000 2.747 121 H HA 0.596 5.152 4.556 0.000 0.000 0.371 121 H C 0.929 176.402 175.328 0.242 0.000 1.161 121 H CA -0.076 56.093 56.048 0.201 0.000 1.167 121 H CB 1.907 31.800 29.762 0.218 0.000 1.732 121 H HN 0.038 nan 8.280 nan 0.000 0.544 122 A N 0.680 123.645 122.820 0.242 0.000 2.119 122 A HA -0.039 4.281 4.320 0.000 0.000 0.216 122 A C 0.404 177.993 177.584 0.008 0.000 1.152 122 A CA 0.700 52.777 52.037 0.067 0.000 0.708 122 A CB -0.283 18.694 19.000 -0.039 0.000 0.805 122 A HN 0.890 nan 8.150 nan 0.000 0.460 123 D N -2.732 117.780 120.400 0.187 0.000 2.737 123 D HA -0.205 4.435 4.640 0.000 0.000 0.233 123 D C -0.231 176.052 176.300 -0.030 0.000 1.155 123 D CA 0.955 55.028 54.000 0.121 0.000 0.667 123 D CB -1.442 39.525 40.800 0.279 0.000 1.060 123 D HN 0.546 nan 8.370 nan 0.000 0.427 124 F N 0.759 120.614 119.950 -0.158 0.000 2.879 124 F HA 0.259 4.786 4.527 0.000 0.000 0.354 124 F C 0.557 176.298 175.800 -0.098 0.000 1.291 124 F CA -0.574 57.319 58.000 -0.178 0.000 1.238 124 F CB 0.165 39.051 39.000 -0.191 0.000 1.005 124 F HN -0.215 nan 8.300 nan 0.000 0.508 125 N N 0.092 118.791 118.700 -0.001 0.000 2.489 125 N HA 0.412 5.152 4.740 0.000 0.000 0.284 125 N C -0.055 175.395 175.510 -0.101 0.000 1.158 125 N CA -0.248 52.788 53.050 -0.023 0.000 0.965 125 N CB 1.219 39.705 38.487 -0.002 0.000 1.195 125 N HN 0.239 nan 8.380 nan 0.000 0.506 126 T N -1.937 112.571 114.554 -0.077 0.000 2.938 126 T HA 0.417 4.768 4.350 0.000 0.000 0.285 126 T C -2.186 172.485 174.700 -0.048 0.000 1.028 126 T CA -1.789 60.263 62.100 -0.080 0.000 1.005 126 T CB 1.872 70.691 68.868 -0.081 0.000 1.157 126 T HN 0.158 nan 8.240 nan 0.000 0.550 127 P HA 0.044 nan 4.420 nan 0.000 0.219 127 P C 1.142 178.419 177.300 -0.039 0.000 1.150 127 P CA 0.795 63.872 63.100 -0.038 0.000 0.814 127 P CB 0.063 31.732 31.700 -0.052 0.000 0.787 128 E N -0.460 119.714 120.200 -0.043 0.000 2.058 128 E HA -0.141 4.209 4.350 0.000 0.000 0.194 128 E C 1.479 178.066 176.600 -0.022 0.000 0.997 128 E CA 1.834 58.213 56.400 -0.034 0.000 0.801 128 E CB -1.599 28.081 29.700 -0.034 0.000 0.746 128 E HN 0.320 nan 8.360 nan 0.000 0.450 129 T N -1.711 112.832 114.554 -0.018 0.000 3.332 129 T HA 0.401 4.751 4.350 0.000 0.000 0.246 129 T C 0.294 174.990 174.700 -0.006 0.000 0.943 129 T CA 0.282 62.379 62.100 -0.006 0.000 0.922 129 T CB -0.413 68.460 68.868 0.008 0.000 1.086 129 T HN 0.134 nan 8.240 nan 0.000 0.590 133 G N 1.397 110.176 108.800 -0.036 0.000 2.205 133 G HA2 -0.309 3.651 3.960 0.000 0.000 0.269 133 G HA3 -0.309 3.651 3.960 0.000 0.000 0.269 133 G C -0.030 174.824 174.900 -0.076 0.000 0.977 133 G CA 0.550 45.623 45.100 -0.044 0.000 0.652 133 G HN 0.860 nan 8.290 nan 0.000 0.539 134 N N 0.198 118.803 118.700 -0.158 0.000 2.434 134 N HA 0.290 5.031 4.740 0.000 0.000 0.268 134 N C 1.656 176.999 175.510 -0.278 0.000 1.256 134 N CA -0.054 52.807 53.050 -0.314 0.000 0.914 134 N CB 1.266 39.345 38.487 -0.679 0.000 1.088 134 N HN 0.040 nan 8.380 nan 0.000 0.478 135 V N 2.265 122.094 119.914 -0.142 0.000 2.453 135 V HA -0.290 3.831 4.120 0.000 0.000 0.252 135 V C 1.740 177.818 176.094 -0.026 0.000 1.068 135 V CA 1.831 64.102 62.300 -0.049 0.000 1.070 135 V CB -1.135 30.700 31.823 0.020 0.000 0.664 135 V HN 0.836 nan 8.190 nan 0.000 0.461 136 H N 0.084 119.176 119.070 0.037 0.000 2.567 136 H HA 0.145 4.701 4.556 0.000 0.000 0.276 136 H C 1.818 177.184 175.328 0.063 0.000 1.016 136 H CA 1.097 57.181 56.048 0.060 0.000 1.186 136 H CB -0.609 29.195 29.762 0.071 0.000 1.351 136 H HN 0.336 nan 8.280 nan 0.000 0.605 137 G N -0.508 108.278 108.800 -0.022 0.000 3.088 137 G HA2 0.154 4.114 3.960 0.000 0.000 0.217 137 G HA3 0.154 4.114 3.960 0.000 0.000 0.217 137 G C 1.000 175.900 174.900 0.001 0.000 1.159 137 G CA 0.082 45.191 45.100 0.015 0.000 0.760 137 G HN 0.444 nan 8.290 nan 0.000 0.550 138 M N 0.117 119.703 119.600 -0.024 0.000 2.338 138 M HA 0.205 4.685 4.480 0.000 0.000 0.276 138 M C -0.844 175.376 176.300 -0.132 0.000 1.057 138 M CA -0.363 54.887 55.300 -0.083 0.000 1.079 138 M CB 0.465 33.019 32.600 -0.076 0.000 1.547 138 M HN -0.113 nan 8.290 nan 0.000 0.549 139 P HA -0.291 nan 4.420 nan 0.000 0.224 139 P C 1.549 178.707 177.300 -0.236 0.000 1.130 139 P CA 1.610 64.659 63.100 -0.084 0.000 0.976 139 P CB -0.155 31.606 31.700 0.102 0.000 0.781 140 L N -0.620 120.286 121.223 -0.529 0.000 2.127 140 L HA -0.135 4.205 4.340 0.000 0.000 0.211 140 L C 2.569 179.198 176.870 -0.402 0.000 1.089 140 L CA 2.088 56.536 54.840 -0.653 0.000 0.757 140 L CB -1.685 39.794 42.059 -0.967 0.000 0.899 140 L HN 0.001 nan 8.230 nan 0.000 0.434 141 A N -1.349 121.136 122.820 -0.559 0.000 1.841 141 A HA -0.136 4.184 4.320 0.000 0.000 0.214 141 A C 2.256 179.602 177.584 -0.396 0.000 1.195 141 A CA 1.900 53.439 52.037 -0.830 0.000 0.611 141 A CB -1.171 17.374 19.000 -0.759 0.000 0.835 141 A HN 0.227 nan 8.150 nan 0.000 0.443 142 V N 0.379 120.148 119.914 -0.242 0.000 2.236 142 V HA -0.361 3.759 4.120 0.000 0.000 0.255 142 V C 2.581 178.644 176.094 -0.051 0.000 1.068 142 V CA 2.414 64.657 62.300 -0.095 0.000 1.044 142 V CB -0.913 30.884 31.823 -0.042 0.000 0.653 142 V HN 0.590 nan 8.190 nan 0.000 0.448 143 L N 0.117 121.301 121.223 -0.065 0.000 2.261 143 L HA -0.131 4.209 4.340 0.000 0.000 0.216 143 L C 1.838 178.703 176.870 -0.007 0.000 1.114 143 L CA 1.524 56.361 54.840 -0.004 0.000 0.777 143 L CB -0.394 41.672 42.059 0.011 0.000 0.910 143 L HN 0.361 nan 8.230 nan 0.000 0.440 144 S N -0.701 114.962 115.700 -0.062 0.000 2.575 144 S HA 0.321 4.791 4.470 0.000 0.000 0.237 144 S C 1.084 175.655 174.600 -0.049 0.000 0.975 144 S CA 0.291 58.473 58.200 -0.029 0.000 0.960 144 S CB 0.854 64.060 63.200 0.010 0.000 0.822 144 S HN 0.516 nan 8.310 nan 0.000 0.472 145 G N 1.966 110.732 108.800 -0.056 0.000 2.248 145 G HA2 -0.211 3.750 3.960 0.000 0.000 0.263 145 G HA3 -0.211 3.750 3.960 0.000 0.000 0.263 145 G C -0.398 174.455 174.900 -0.078 0.000 1.082 145 G CA -0.307 44.765 45.100 -0.046 0.000 0.863 145 G HN 0.497 nan 8.290 nan 0.000 0.495 146 L N -0.455 120.686 121.223 -0.136 0.000 2.518 146 L HA 0.749 5.090 4.340 0.000 0.000 0.262 146 L C 0.564 177.346 176.870 -0.146 0.000 0.982 146 L CA -0.109 54.636 54.840 -0.159 0.000 0.873 146 L CB 1.457 43.359 42.059 -0.262 0.000 1.198 146 L HN 1.001 nan 8.230 nan 0.000 0.427 147 G N 0.128 108.887 108.800 -0.069 0.000 2.359 147 G HA2 0.003 3.963 3.960 0.000 0.000 0.293 147 G HA3 0.003 3.963 3.960 0.000 0.000 0.293 147 G C -1.400 173.534 174.900 0.058 0.000 1.300 147 G CA -1.019 44.066 45.100 -0.025 0.000 0.888 147 G HN 0.638 nan 8.290 nan 0.000 0.541 148 H N 1.649 120.703 119.070 -0.027 0.000 3.257 148 H HA 0.114 4.671 4.556 0.000 0.000 0.256 148 H C -1.042 174.284 175.328 -0.003 0.000 0.885 148 H CA -0.484 55.557 56.048 -0.011 0.000 1.406 148 H CB 0.785 30.547 29.762 0.000 0.000 1.506 148 H HN 0.143 nan 8.280 nan 0.000 0.527 149 P HA -0.307 nan 4.420 nan 0.000 0.219 149 P C 1.464 178.787 177.300 0.039 0.000 1.158 149 P CA 1.603 64.770 63.100 0.112 0.000 0.895 149 P CB 0.146 31.911 31.700 0.109 0.000 0.792 150 R N -0.634 119.864 120.500 -0.004 0.000 2.211 150 R HA -0.116 4.224 4.340 0.000 0.000 0.240 150 R C 1.947 178.166 176.300 -0.135 0.000 1.144 150 R CA 1.422 57.420 56.100 -0.170 0.000 0.992 150 R CB -1.044 28.975 30.300 -0.469 0.000 0.869 150 R HN 0.233 nan 8.270 nan 0.000 0.462 151 L N -1.893 119.305 121.223 -0.043 0.000 2.388 151 L HA 0.083 4.423 4.340 0.000 0.000 0.209 151 L C 2.062 179.022 176.870 0.151 0.000 1.061 151 L CA 0.979 55.896 54.840 0.128 0.000 0.834 151 L CB -0.312 41.854 42.059 0.178 0.000 1.029 151 L HN 0.265 nan 8.230 nan 0.000 0.473 152 T N -1.789 112.807 114.554 0.071 0.000 2.821 152 T HA -0.196 4.154 4.350 0.000 0.000 0.267 152 T C 1.600 176.292 174.700 -0.013 0.000 1.046 152 T CA 1.236 63.365 62.100 0.049 0.000 1.139 152 T CB -0.396 68.485 68.868 0.023 0.000 0.871 152 T HN 0.510 nan 8.240 nan 0.000 0.454 153 E N 2.156 122.321 120.200 -0.057 0.000 2.097 153 E HA -0.175 4.175 4.350 0.000 0.000 0.196 153 E C 2.182 178.687 176.600 -0.160 0.000 1.000 153 E CA 1.897 58.242 56.400 -0.091 0.000 0.804 153 E CB -0.585 29.061 29.700 -0.090 0.000 0.740 153 E HN 0.616 nan 8.360 nan 0.000 0.454 154 V N -3.320 116.407 119.914 -0.312 0.000 3.650 154 V HA 0.188 4.309 4.120 0.000 0.000 0.271 154 V C 1.055 176.799 176.094 -0.583 0.000 1.281 154 V CA 0.118 62.110 62.300 -0.514 0.000 1.120 154 V CB -0.461 30.888 31.823 -0.791 0.000 0.856 154 V HN 0.138 nan 8.190 nan 0.000 0.443 155 F N 0.319 120.255 119.950 -0.024 0.000 2.789 155 F HA 0.475 5.002 4.527 0.000 0.000 0.320 155 F C 1.294 177.081 175.800 -0.021 0.000 1.079 155 F CA -1.227 56.761 58.000 -0.021 0.000 1.205 155 F CB -0.065 38.925 39.000 -0.018 0.000 1.046 155 F HN 0.008 nan 8.300 nan 0.000 0.586 156 R N 1.478 122.057 120.500 0.132 0.000 2.619 156 R HA 0.252 4.592 4.340 0.000 0.000 0.268 156 R C 0.419 176.759 176.300 0.067 0.000 0.990 156 R CA 1.165 57.309 56.100 0.072 0.000 1.092 156 R CB 0.392 30.710 30.300 0.030 0.000 0.935 156 R HN 0.245 nan 8.270 nan 0.000 0.415 157 A N 3.519 126.372 122.820 0.055 0.000 2.654 157 A HA 0.200 4.520 4.320 0.000 0.000 0.203 157 A C -0.931 176.680 177.584 0.045 0.000 1.306 157 A CA 0.017 52.082 52.037 0.047 0.000 1.041 157 A CB 0.512 19.544 19.000 0.053 0.000 1.217 157 A HN 0.478 nan 8.150 nan 0.000 0.510 158 V N 0.594 120.536 119.914 0.047 0.000 2.969 158 V HA 0.574 4.694 4.120 0.000 0.000 0.304 158 V C -2.267 173.856 176.094 0.049 0.000 1.192 158 V CA -0.473 61.859 62.300 0.054 0.000 0.962 158 V CB 2.099 33.970 31.823 0.080 0.000 1.045 158 V HN 0.336 nan 8.190 nan 0.000 0.428 159 D N 6.514 126.942 120.400 0.047 0.000 2.232 159 D HA 0.488 5.129 4.640 0.000 0.000 0.242 159 D C -1.694 174.644 176.300 0.063 0.000 1.093 159 D CA -1.980 52.047 54.000 0.045 0.000 0.845 159 D CB 2.370 43.188 40.800 0.031 0.000 1.124 159 D HN 0.263 nan 8.370 nan 0.000 0.467 160 P HA -0.244 nan 4.420 nan 0.000 0.222 160 P C 0.650 178.004 177.300 0.091 0.000 1.157 160 P CA 2.010 65.171 63.100 0.102 0.000 0.905 160 P CB 0.188 31.954 31.700 0.111 0.000 0.792 161 K N -1.377 119.066 120.400 0.072 0.000 2.520 161 K HA -0.118 4.203 4.320 0.000 0.000 0.197 161 K C 0.846 177.464 176.600 0.030 0.000 1.043 161 K CA 1.124 57.453 56.287 0.070 0.000 0.944 161 K CB -0.360 32.151 32.500 0.019 0.000 0.770 161 K HN 0.244 nan 8.250 nan 0.000 0.480 162 D N -0.719 119.710 120.400 0.049 0.000 2.433 162 D HA 0.053 4.694 4.640 0.000 0.000 0.211 162 D C -0.329 176.037 176.300 0.110 0.000 1.114 162 D CA 0.087 54.113 54.000 0.042 0.000 0.837 162 D CB 0.634 41.455 40.800 0.034 0.000 0.984 162 D HN -0.154 nan 8.370 nan 0.000 0.505 163 V N 0.732 120.725 119.914 0.131 0.000 2.713 163 V HA 0.514 4.634 4.120 0.000 0.000 0.307 163 V C -0.036 176.149 176.094 0.151 0.000 1.052 163 V CA -0.579 61.805 62.300 0.140 0.000 0.967 163 V CB 2.621 34.507 31.823 0.104 0.000 1.019 163 V HN -0.232 nan 8.190 nan 0.000 0.459 164 V N 5.061 125.071 119.914 0.159 0.000 2.752 164 V HA 0.410 4.530 4.120 0.000 0.000 0.302 164 V C -0.734 175.466 176.094 0.176 0.000 1.133 164 V CA -0.424 61.969 62.300 0.154 0.000 0.919 164 V CB 1.947 33.911 31.823 0.235 0.000 1.026 164 V HN 0.637 nan 8.190 nan 0.000 0.429 165 L N 4.731 126.027 121.223 0.122 0.000 2.343 165 L HA 0.802 5.142 4.340 0.000 0.000 0.275 165 L C -0.730 176.274 176.870 0.222 0.000 1.056 165 L CA -0.722 54.217 54.840 0.164 0.000 0.804 165 L CB 1.921 44.011 42.059 0.052 0.000 1.203 165 L HN 0.391 nan 8.230 nan 0.000 0.440 166 V N 1.203 121.241 119.914 0.206 0.000 2.612 166 V HA 0.558 4.678 4.120 0.000 0.000 0.301 166 V C 0.473 176.634 176.094 0.112 0.000 1.059 166 V CA -0.016 62.384 62.300 0.167 0.000 0.886 166 V CB 1.449 33.332 31.823 0.100 0.000 1.007 166 V HN 0.941 nan 8.190 nan 0.000 0.426 167 G N 3.783 112.640 108.800 0.094 0.000 2.132 167 G HA2 -0.178 3.782 3.960 0.000 0.000 0.234 167 G HA3 -0.178 3.782 3.960 0.000 0.000 0.234 167 G C 0.051 174.978 174.900 0.045 0.000 0.989 167 G CA 0.042 45.174 45.100 0.054 0.000 0.676 167 G HN 0.830 nan 8.290 nan 0.000 0.522 168 V N 0.963 120.914 119.914 0.062 0.000 2.572 168 V HA 0.485 4.605 4.120 0.000 0.000 0.291 168 V C 1.369 177.466 176.094 0.005 0.000 1.039 168 V CA 1.197 63.515 62.300 0.031 0.000 1.055 168 V CB 1.160 33.004 31.823 0.034 0.000 0.969 168 V HN 0.709 nan 8.190 nan 0.000 0.482 169 R N 1.825 122.302 120.500 -0.039 0.000 2.494 169 R HA 0.360 4.700 4.340 0.000 0.000 0.400 169 R C -0.199 176.073 176.300 -0.046 0.000 0.856 169 R CA -0.090 55.992 56.100 -0.030 0.000 1.112 169 R CB 0.539 30.823 30.300 -0.027 0.000 1.697 169 R HN 0.532 nan 8.270 nan 0.000 0.544 170 S N 1.217 116.882 115.700 -0.058 0.000 2.545 170 S HA 0.485 4.955 4.470 0.000 0.000 0.259 170 S C -1.219 173.425 174.600 0.072 0.000 1.092 170 S CA -0.644 57.550 58.200 -0.009 0.000 1.054 170 S CB 0.709 63.875 63.200 -0.058 0.000 1.146 170 S HN 0.294 nan 8.310 nan 0.000 0.447 171 L N 2.812 124.077 121.223 0.070 0.000 2.283 171 L HA 0.723 5.063 4.340 0.000 0.000 0.259 171 L C -0.571 176.344 176.870 0.075 0.000 1.027 171 L CA -1.194 53.694 54.840 0.081 0.000 0.828 171 L CB 1.709 43.789 42.059 0.035 0.000 1.380 171 L HN 0.517 nan 8.230 nan 0.000 0.425 172 D N 0.302 120.745 120.400 0.072 0.000 2.217 172 D HA 0.258 4.898 4.640 0.000 0.000 0.248 172 D C -1.828 174.494 176.300 0.038 0.000 1.008 172 D CA -1.378 52.654 54.000 0.054 0.000 0.914 172 D CB 2.221 43.053 40.800 0.054 0.000 1.182 172 D HN 0.180 nan 8.370 nan 0.000 0.451 173 P HA -0.149 nan 4.420 nan 0.000 0.216 173 P C 1.381 178.694 177.300 0.020 0.000 1.154 173 P CA 1.333 64.444 63.100 0.018 0.000 0.865 173 P CB 0.270 31.978 31.700 0.013 0.000 0.789 174 G N -0.207 108.609 108.800 0.026 0.000 2.421 174 G HA2 -0.251 3.709 3.960 0.000 0.000 0.216 174 G HA3 -0.251 3.709 3.960 0.000 0.000 0.216 174 G C 1.473 176.406 174.900 0.056 0.000 1.171 174 G CA 0.654 45.774 45.100 0.032 0.000 0.775 174 G HN 0.263 nan 8.290 nan 0.000 0.543 175 E N 0.563 120.807 120.200 0.072 0.000 2.070 175 E HA -0.185 4.165 4.350 0.000 0.000 0.197 175 E C 2.564 179.200 176.600 0.060 0.000 1.004 175 E CA 1.251 57.721 56.400 0.116 0.000 0.805 175 E CB -0.098 29.661 29.700 0.099 0.000 0.744 175 E HN 0.409 nan 8.360 nan 0.000 0.451 176 K N 0.500 120.911 120.400 0.019 0.000 2.015 176 K HA -0.214 4.106 4.320 0.000 0.000 0.216 176 K C 2.237 178.831 176.600 -0.011 0.000 1.052 176 K CA 1.476 57.754 56.287 -0.015 0.000 0.937 176 K CB -0.318 32.174 32.500 -0.012 0.000 0.719 176 K HN 0.109 nan 8.250 nan 0.000 0.446 177 R N 0.813 121.321 120.500 0.012 0.000 2.073 177 R HA -0.069 4.272 4.340 0.000 0.000 0.234 177 R C 2.573 178.896 176.300 0.039 0.000 1.134 177 R CA 1.177 57.286 56.100 0.015 0.000 0.952 177 R CB -0.534 29.776 30.300 0.016 0.000 0.850 177 R HN 0.163 nan 8.270 nan 0.000 0.433 178 L N 0.628 121.903 121.223 0.087 0.000 2.046 178 L HA -0.196 4.144 4.340 0.000 0.000 0.208 178 L C 2.487 179.482 176.870 0.209 0.000 1.077 178 L CA 1.081 56.024 54.840 0.172 0.000 0.747 178 L CB -0.379 41.825 42.059 0.242 0.000 0.896 178 L HN 0.168 nan 8.230 nan 0.000 0.432 179 L N -0.306 120.955 121.223 0.064 0.000 2.012 179 L HA -0.277 4.063 4.340 0.000 0.000 0.210 179 L C 2.702 179.492 176.870 -0.133 0.000 1.073 179 L CA 1.602 56.289 54.840 -0.255 0.000 0.748 179 L CB -0.279 41.563 42.059 -0.361 0.000 0.891 179 L HN 0.162 nan 8.230 nan 0.000 0.431 180 K N -0.425 119.932 120.400 -0.072 0.000 2.002 180 K HA -0.220 4.100 4.320 0.000 0.000 0.209 180 K C 2.000 178.586 176.600 -0.023 0.000 1.048 180 K CA 1.754 58.008 56.287 -0.055 0.000 0.930 180 K CB -0.036 32.439 32.500 -0.041 0.000 0.714 180 K HN 0.319 nan 8.250 nan 0.000 0.438 181 E N -0.179 120.026 120.200 0.008 0.000 2.038 181 E HA -0.240 4.110 4.350 0.000 0.000 0.195 181 E C 1.976 178.596 176.600 0.034 0.000 1.000 181 E CA 1.299 57.713 56.400 0.023 0.000 0.803 181 E CB -0.174 29.549 29.700 0.039 0.000 0.750 181 E HN 0.384 nan 8.360 nan 0.000 0.448 182 A N 0.341 123.201 122.820 0.067 0.000 1.940 182 A HA -0.035 4.285 4.320 0.000 0.000 0.219 182 A C 1.846 179.452 177.584 0.037 0.000 1.176 182 A CA 1.477 53.567 52.037 0.088 0.000 0.631 182 A CB -0.748 18.385 19.000 0.222 0.000 0.814 182 A HN 0.428 nan 8.150 nan 0.000 0.446 183 G N -1.571 107.222 108.800 -0.012 0.000 2.248 183 G HA2 -0.097 3.863 3.960 0.000 0.000 0.252 183 G HA3 -0.097 3.863 3.960 0.000 0.000 0.252 183 G C -0.103 174.773 174.900 -0.040 0.000 1.085 183 G CA -0.028 45.056 45.100 -0.026 0.000 0.845 183 G HN 0.955 nan 8.290 nan 0.000 0.494 184 V N 0.632 120.478 119.914 -0.114 0.000 2.427 184 V HA 0.419 4.539 4.120 0.000 0.000 0.268 184 V C 1.209 177.193 176.094 -0.182 0.000 1.046 184 V CA -0.682 61.532 62.300 -0.142 0.000 0.970 184 V CB 1.160 32.792 31.823 -0.318 0.000 1.001 184 V HN 0.600 nan 8.190 nan 0.000 0.476 185 R N 4.784 125.186 120.500 -0.164 0.000 2.502 185 R HA 0.235 4.575 4.340 0.000 0.000 0.292 185 R C -0.952 175.156 176.300 -0.321 0.000 0.998 185 R CA 0.462 56.362 56.100 -0.333 0.000 1.056 185 R CB 0.159 30.161 30.300 -0.496 0.000 0.939 185 R HN 0.501 nan 8.270 nan 0.000 0.411 186 V N 7.033 126.690 119.914 -0.428 0.000 2.482 186 V HA 0.283 4.403 4.120 0.000 0.000 0.295 186 V C -1.233 174.632 176.094 -0.381 0.000 1.026 186 V CA -0.679 61.435 62.300 -0.311 0.000 0.856 186 V CB 1.418 33.108 31.823 -0.221 0.000 1.001 186 V HN 0.650 nan 8.190 nan 0.000 0.424 187 Y N 3.245 123.529 120.300 -0.028 0.000 2.593 187 Y HA 0.444 4.994 4.550 0.000 0.000 0.331 187 Y C 1.284 177.187 175.900 0.005 0.000 0.986 187 Y CA -0.580 57.514 58.100 -0.009 0.000 1.262 187 Y CB 1.245 39.700 38.460 -0.008 0.000 1.098 187 Y HN 0.780 nan 8.280 nan 0.000 0.506 188 T N -1.341 113.280 114.554 0.112 0.000 2.732 188 T HA 0.078 4.428 4.350 0.000 0.000 0.287 188 T C 1.457 176.223 174.700 0.110 0.000 0.993 188 T CA -0.754 61.398 62.100 0.087 0.000 0.966 188 T CB 0.669 69.573 68.868 0.059 0.000 1.047 188 T HN 0.457 nan 8.240 nan 0.000 0.527 189 M N 0.330 119.979 119.600 0.081 0.000 2.374 189 M HA -0.062 4.418 4.480 0.000 0.000 0.264 189 M C 2.083 178.429 176.300 0.075 0.000 1.067 189 M CA 1.289 56.627 55.300 0.063 0.000 1.103 189 M CB -1.779 30.847 32.600 0.042 0.000 1.402 189 M HN 0.831 nan 8.290 nan 0.000 0.444 190 H N 0.525 119.609 119.070 0.024 0.000 2.357 190 H HA -0.136 4.420 4.556 0.000 0.000 0.301 190 H C 1.271 176.621 175.328 0.036 0.000 1.082 190 H CA 1.887 57.948 56.048 0.022 0.000 1.342 190 H CB 0.381 30.150 29.762 0.011 0.000 1.389 190 H HN 0.288 nan 8.280 nan 0.000 0.511 191 E N 0.076 120.328 120.200 0.085 0.000 2.107 191 E HA -0.066 4.285 4.350 0.000 0.000 0.191 191 E C 2.596 179.205 176.600 0.016 0.000 0.982 191 E CA 0.839 57.282 56.400 0.071 0.000 0.809 191 E CB -0.017 29.842 29.700 0.265 0.000 0.756 191 E HN 0.224 nan 8.360 nan 0.000 0.459 192 V N 1.716 121.645 119.914 0.025 0.000 2.261 192 V HA -0.280 3.840 4.120 0.000 0.000 0.246 192 V C 1.597 177.664 176.094 -0.045 0.000 1.047 192 V CA 2.080 64.371 62.300 -0.015 0.000 1.015 192 V CB -0.508 31.314 31.823 -0.002 0.000 0.642 192 V HN 0.243 nan 8.190 nan 0.000 0.446 193 D N -0.226 120.138 120.400 -0.060 0.000 2.104 193 D HA -0.152 4.488 4.640 0.000 0.000 0.194 193 D C 2.411 178.644 176.300 -0.110 0.000 0.994 193 D CA 1.223 55.177 54.000 -0.077 0.000 0.830 193 D CB -0.311 40.438 40.800 -0.083 0.000 0.959 193 D HN 0.295 nan 8.370 nan 0.000 0.452 194 R N -0.065 120.322 120.500 -0.188 0.000 2.092 194 R HA -0.002 4.339 4.340 0.000 0.000 0.231 194 R C 2.313 178.560 176.300 -0.088 0.000 1.119 194 R CA 0.669 56.663 56.100 -0.177 0.000 0.970 194 R CB -0.088 30.037 30.300 -0.292 0.000 0.864 194 R HN 0.266 nan 8.270 nan 0.000 0.440 195 L N -1.731 119.453 121.223 -0.065 0.000 2.500 195 L HA 0.273 4.613 4.340 0.000 0.000 0.219 195 L C 0.643 177.485 176.870 -0.046 0.000 1.057 195 L CA 0.301 55.117 54.840 -0.041 0.000 0.854 195 L CB 0.384 42.430 42.059 -0.023 0.000 1.078 195 L HN 0.263 nan 8.230 nan 0.000 0.480 196 G N -0.318 108.450 108.800 -0.053 0.000 3.055 196 G HA2 -0.152 3.808 3.960 0.000 0.000 0.686 196 G HA3 -0.152 3.808 3.960 0.000 0.000 0.686 196 G C 0.145 175.004 174.900 -0.067 0.000 1.087 196 G CA -0.450 44.620 45.100 -0.049 0.000 0.779 196 G HN -0.237 nan 8.290 nan 0.000 0.599 197 V N 1.833 121.711 119.914 -0.061 0.000 2.453 197 V HA -0.191 3.929 4.120 0.000 0.000 0.252 197 V C 3.209 179.255 176.094 -0.081 0.000 1.068 197 V CA 3.527 65.781 62.300 -0.076 0.000 1.070 197 V CB -1.019 30.772 31.823 -0.053 0.000 0.664 197 V HN 1.640 nan 8.190 nan 0.000 0.461 198 A N -0.199 122.587 122.820 -0.058 0.000 1.898 198 A HA -0.226 4.094 4.320 0.000 0.000 0.216 198 A C 2.393 179.940 177.584 -0.062 0.000 1.181 198 A CA 1.874 53.881 52.037 -0.050 0.000 0.620 198 A CB -0.491 18.490 19.000 -0.032 0.000 0.819 198 A HN 0.495 nan 8.150 nan 0.000 0.442 199 R N -0.536 119.924 120.500 -0.067 0.000 2.115 199 R HA -0.024 4.316 4.340 0.000 0.000 0.226 199 R C 1.654 177.882 176.300 -0.119 0.000 1.100 199 R CA 1.107 57.167 56.100 -0.067 0.000 0.980 199 R CB -0.178 30.094 30.300 -0.048 0.000 0.875 199 R HN 0.432 nan 8.270 nan 0.000 0.445 200 I N 0.855 121.310 120.570 -0.193 0.000 2.315 200 I HA -0.133 4.037 4.170 0.000 0.000 0.248 200 I C 2.422 178.365 176.117 -0.291 0.000 1.117 200 I CA 1.263 62.329 61.300 -0.390 0.000 1.404 200 I CB -1.447 36.254 38.000 -0.498 0.000 1.071 200 I HN 0.228 nan 8.210 nan 0.000 0.419 201 A N 0.964 123.683 122.820 -0.168 0.000 1.865 201 A HA -0.194 4.126 4.320 0.000 0.000 0.217 201 A C 2.199 179.744 177.584 -0.064 0.000 1.191 201 A CA 1.468 53.445 52.037 -0.099 0.000 0.623 201 A CB -0.518 18.444 19.000 -0.065 0.000 0.826 201 A HN 0.410 nan 8.150 nan 0.000 0.444 202 E N 0.040 120.207 120.200 -0.056 0.000 2.035 202 E HA -0.266 4.084 4.350 0.000 0.000 0.204 202 E C 1.913 178.509 176.600 -0.006 0.000 1.025 202 E CA 1.771 58.157 56.400 -0.023 0.000 0.835 202 E CB -0.622 29.066 29.700 -0.020 0.000 0.764 202 E HN 0.779 nan 8.360 nan 0.000 0.457 203 E N 0.481 120.669 120.200 -0.020 0.000 2.118 203 E HA -0.153 4.197 4.350 0.000 0.000 0.195 203 E C 2.253 178.903 176.600 0.083 0.000 0.992 203 E CA 1.004 57.426 56.400 0.037 0.000 0.804 203 E CB -0.042 29.687 29.700 0.048 0.000 0.741 203 E HN 0.001 nan 8.360 nan 0.000 0.458 204 V N 1.106 121.024 119.914 0.007 0.000 2.343 204 V HA -0.244 3.876 4.120 0.000 0.000 0.247 204 V C 2.160 178.320 176.094 0.111 0.000 1.051 204 V CA 1.452 63.803 62.300 0.084 0.000 1.036 204 V CB -0.268 31.560 31.823 0.008 0.000 0.654 204 V HN 0.308 nan 8.190 nan 0.000 0.451 205 L N -0.312 120.948 121.223 0.061 0.000 2.291 205 L HA -0.125 4.215 4.340 0.000 0.000 0.214 205 L C 2.423 179.334 176.870 0.068 0.000 1.120 205 L CA 1.265 56.139 54.840 0.058 0.000 0.799 205 L CB -0.370 41.708 42.059 0.032 0.000 0.925 205 L HN 0.323 nan 8.230 nan 0.000 0.446 206 K N -0.030 120.422 120.400 0.085 0.000 2.099 206 K HA -0.193 4.127 4.320 0.000 0.000 0.203 206 K C 2.066 178.732 176.600 0.110 0.000 1.047 206 K CA 1.207 57.544 56.287 0.083 0.000 0.963 206 K CB -0.285 32.263 32.500 0.081 0.000 0.759 206 K HN 0.156 nan 8.250 nan 0.000 0.451 207 H N -0.176 118.928 119.070 0.058 0.000 2.568 207 H HA 0.104 4.660 4.556 0.000 0.000 0.281 207 H C 0.215 175.576 175.328 0.056 0.000 1.028 207 H CA 1.253 57.338 56.048 0.061 0.000 1.199 207 H CB 0.028 29.842 29.762 0.087 0.000 1.352 207 H HN 0.221 nan 8.280 nan 0.000 0.605 208 L N 1.017 122.251 121.223 0.018 0.000 3.510 208 L HA 0.089 4.430 4.340 0.000 0.000 0.324 208 L C 0.005 176.877 176.870 0.002 0.000 1.307 208 L CA -0.335 54.493 54.840 -0.021 0.000 1.011 208 L CB 0.195 42.285 42.059 0.051 0.000 1.422 208 L HN 0.309 nan 8.230 nan 0.000 0.617 209 Q N 0.867 120.671 119.800 0.006 0.000 2.304 209 Q HA 0.108 4.449 4.340 0.000 0.000 0.315 209 Q C 0.979 176.983 176.000 0.008 0.000 1.075 209 Q CA 1.225 57.036 55.803 0.014 0.000 0.988 209 Q CB 0.473 29.219 28.738 0.015 0.000 1.146 209 Q HN 0.355 nan 8.270 nan 0.000 0.383 210 G N 2.545 111.354 108.800 0.016 0.000 2.176 210 G HA2 -0.245 3.715 3.960 0.000 0.000 0.253 210 G HA3 -0.245 3.715 3.960 0.000 0.000 0.253 210 G C -0.054 174.857 174.900 0.019 0.000 0.979 210 G CA 0.249 45.358 45.100 0.015 0.000 0.641 210 G HN 0.635 nan 8.290 nan 0.000 0.530 211 L N 0.029 121.266 121.223 0.023 0.000 2.313 211 L HA 0.771 5.111 4.340 0.000 0.000 0.268 211 L C -2.013 174.881 176.870 0.040 0.000 1.010 211 L CA -2.793 52.064 54.840 0.028 0.000 0.814 211 L CB 1.487 43.562 42.059 0.027 0.000 1.304 211 L HN -0.110 nan 8.230 nan 0.000 0.441 212 P HA 0.325 nan 4.420 nan 0.000 0.276 212 P C -1.345 175.993 177.300 0.064 0.000 1.244 212 P CA -0.292 62.840 63.100 0.054 0.000 0.801 212 P CB 1.265 32.992 31.700 0.045 0.000 1.006 213 L N 1.628 122.895 121.223 0.074 0.000 2.343 213 L HA 0.378 4.719 4.340 0.000 0.000 0.278 213 L C 0.727 177.652 176.870 0.092 0.000 0.996 213 L CA -0.707 54.184 54.840 0.085 0.000 0.831 213 L CB 1.259 43.361 42.059 0.072 0.000 1.232 213 L HN 0.512 nan 8.230 nan 0.000 0.413 214 H N 3.760 122.844 119.070 0.024 0.000 2.646 214 H HA 0.400 4.956 4.556 0.000 0.000 0.325 214 H C -1.317 174.031 175.328 0.033 0.000 1.075 214 H CA -0.513 55.534 56.048 -0.002 0.000 1.421 214 H CB 1.611 31.380 29.762 0.012 0.000 1.461 214 H HN 0.325 nan 8.280 nan 0.000 0.525 215 V N 5.202 124.785 119.914 -0.552 0.000 2.326 215 V HA 0.038 4.159 4.120 0.000 0.000 0.281 215 V C 0.229 175.983 176.094 -0.567 0.000 1.015 215 V CA -0.552 61.510 62.300 -0.397 0.000 0.823 215 V CB 1.170 32.900 31.823 -0.155 0.000 1.009 215 V HN 0.741 nan 8.190 nan 0.000 0.436 216 S N 5.752 121.153 115.700 -0.499 0.000 2.399 216 S HA 0.501 4.971 4.470 0.000 0.000 0.301 216 S C -0.622 173.735 174.600 -0.404 0.000 1.093 216 S CA -0.465 57.460 58.200 -0.459 0.000 1.077 216 S CB 0.296 63.178 63.200 -0.531 0.000 0.980 216 S HN 0.553 nan 8.310 nan 0.000 0.494 217 L N 6.097 127.122 121.223 -0.329 0.000 2.264 217 L HA 0.541 4.882 4.340 0.000 0.000 0.287 217 L C -0.277 176.388 176.870 -0.342 0.000 1.039 217 L CA -0.192 54.480 54.840 -0.280 0.000 0.829 217 L CB 1.010 42.951 42.059 -0.197 0.000 1.211 217 L HN 0.545 nan 8.230 nan 0.000 0.427 218 D N 3.268 123.455 120.400 -0.354 0.000 2.264 218 D HA 0.347 4.987 4.640 0.000 0.000 0.249 218 D C 0.553 176.739 176.300 -0.190 0.000 1.070 218 D CA 0.310 54.088 54.000 -0.370 0.000 0.912 218 D CB 2.331 42.983 40.800 -0.248 0.000 1.193 218 D HN 0.682 nan 8.370 nan 0.000 0.427 219 A N 2.751 125.478 122.820 -0.156 0.000 2.072 219 A HA -0.102 4.218 4.320 0.000 0.000 0.216 219 A C 1.400 178.958 177.584 -0.043 0.000 1.156 219 A CA 1.034 53.016 52.037 -0.092 0.000 0.701 219 A CB -0.262 18.689 19.000 -0.081 0.000 0.816 219 A HN 0.673 nan 8.150 nan 0.000 0.458 220 D N -0.342 120.050 120.400 -0.013 0.000 2.411 220 D HA -0.093 4.547 4.640 0.000 0.000 0.226 220 D C 1.162 177.471 176.300 0.015 0.000 0.988 220 D CA 1.016 55.039 54.000 0.038 0.000 0.938 220 D CB -0.480 40.406 40.800 0.142 0.000 0.883 220 D HN 0.161 nan 8.370 nan 0.000 0.525 221 V N -0.353 119.556 119.914 -0.008 0.000 2.951 221 V HA 0.105 4.225 4.120 0.000 0.000 0.255 221 V C 1.128 177.212 176.094 -0.016 0.000 1.088 221 V CA 0.274 62.566 62.300 -0.014 0.000 1.109 221 V CB -0.155 31.656 31.823 -0.020 0.000 0.724 221 V HN 0.212 nan 8.190 nan 0.000 0.471 222 L N 0.837 122.049 121.223 -0.018 0.000 2.395 222 L HA 0.247 4.587 4.340 0.000 0.000 0.269 222 L C 0.256 177.131 176.870 0.008 0.000 1.133 222 L CA -0.174 54.662 54.840 -0.006 0.000 0.812 222 L CB 0.530 42.587 42.059 -0.004 0.000 1.125 222 L HN 0.164 nan 8.230 nan 0.000 0.452 223 D N 2.965 123.375 120.400 0.017 0.000 2.488 223 D HA -0.013 4.627 4.640 0.000 0.000 0.238 223 D C -1.649 174.662 176.300 0.019 0.000 1.138 223 D CA -0.788 53.223 54.000 0.018 0.000 0.873 223 D CB 1.067 41.881 40.800 0.023 0.000 1.183 223 D HN 0.234 nan 8.370 nan 0.000 0.458 224 P HA -0.153 nan 4.420 nan 0.000 0.220 224 P C 1.012 178.322 177.300 0.017 0.000 1.144 224 P CA 0.968 64.079 63.100 0.018 0.000 0.800 224 P CB 0.178 31.890 31.700 0.021 0.000 0.772 225 T N -2.126 112.438 114.554 0.017 0.000 3.043 225 T HA 0.012 4.363 4.350 0.000 0.000 0.263 225 T C 1.374 176.083 174.700 0.014 0.000 1.094 225 T CA 0.470 62.578 62.100 0.014 0.000 1.127 225 T CB -0.355 68.521 68.868 0.012 0.000 0.905 225 T HN -0.092 nan 8.240 nan 0.000 0.490 226 L N 0.422 121.659 121.223 0.023 0.000 2.269 226 L HA 0.591 4.931 4.340 0.000 0.000 0.200 226 L C 1.138 178.028 176.870 0.033 0.000 1.069 226 L CA 0.720 55.580 54.840 0.033 0.000 0.804 226 L CB -0.110 41.985 42.059 0.059 0.000 0.987 226 L HN 0.121 nan 8.230 nan 0.000 0.468 227 A N 0.308 123.144 122.820 0.027 0.000 3.047 227 A HA 0.489 4.809 4.320 0.000 0.000 0.337 227 A C -1.850 175.741 177.584 0.011 0.000 1.143 227 A CA -0.978 51.070 52.037 0.019 0.000 0.905 227 A CB -0.304 18.703 19.000 0.012 0.000 1.088 227 A HN 0.226 nan 8.150 nan 0.000 0.488 228 P HA -0.103 nan 4.420 nan 0.000 0.220 228 P C 0.967 178.269 177.300 0.005 0.000 1.148 228 P CA 1.254 64.359 63.100 0.008 0.000 0.803 228 P CB 0.117 31.820 31.700 0.006 0.000 0.782 229 G N 1.183 109.983 108.800 0.001 0.000 2.621 229 G HA2 0.446 4.406 3.960 0.000 0.000 0.306 229 G HA3 0.446 4.406 3.960 0.000 0.000 0.306 229 G C -0.150 174.743 174.900 -0.012 0.000 0.893 229 G CA -0.117 44.980 45.100 -0.006 0.000 1.486 229 G HN 0.247 nan 8.290 nan 0.000 0.477 230 V N -0.580 119.329 119.914 -0.009 0.000 3.242 230 V HA 0.834 4.954 4.120 0.000 0.000 0.298 230 V C 1.066 177.155 176.094 -0.008 0.000 1.352 230 V CA -0.174 62.118 62.300 -0.013 0.000 1.052 230 V CB 1.165 32.989 31.823 0.002 0.000 1.101 230 V HN 0.512 nan 8.190 nan 0.000 0.446 231 G N 0.667 109.454 108.800 -0.022 0.000 2.433 231 G HA2 0.072 4.032 3.960 0.000 0.000 0.216 231 G HA3 0.072 4.032 3.960 0.000 0.000 0.216 231 G C 0.621 175.532 174.900 0.017 0.000 1.186 231 G CA 1.389 46.473 45.100 -0.027 0.000 0.779 231 G HN 0.993 nan 8.290 nan 0.000 0.543 232 T N 2.535 117.129 114.554 0.066 0.000 3.250 232 T HA 0.461 4.811 4.350 0.000 0.000 0.391 232 T C -2.705 172.082 174.700 0.147 0.000 1.502 232 T CA -0.937 61.237 62.100 0.123 0.000 1.320 232 T CB 1.917 70.892 68.868 0.179 0.000 1.102 232 T HN -0.043 nan 8.240 nan 0.000 0.610 233 P HA 0.129 nan 4.420 nan 0.000 0.262 233 P C -0.807 176.539 177.300 0.076 0.000 1.182 233 P CA -0.002 63.138 63.100 0.066 0.000 0.761 233 P CB 0.512 32.239 31.700 0.044 0.000 0.795 234 V N 6.293 126.239 119.914 0.055 0.000 2.498 234 V HA 0.239 4.359 4.120 0.000 0.000 0.283 234 V C -1.962 174.140 176.094 0.013 0.000 1.015 234 V CA -1.757 60.563 62.300 0.034 0.000 0.867 234 V CB 1.656 33.474 31.823 -0.008 0.000 1.025 234 V HN 0.542 nan 8.190 nan 0.000 0.441 235 P HA 0.086 nan 4.420 nan 0.000 0.270 235 P C 0.733 178.039 177.300 0.010 0.000 1.221 235 P CA 1.251 64.360 63.100 0.015 0.000 0.788 235 P CB 0.666 32.377 31.700 0.018 0.000 0.904 236 G N -0.309 108.499 108.800 0.012 0.000 2.248 236 G HA2 -0.058 3.902 3.960 0.000 0.000 0.263 236 G HA3 -0.058 3.902 3.960 0.000 0.000 0.263 236 G C 0.429 175.334 174.900 0.009 0.000 1.082 236 G CA -0.171 44.936 45.100 0.012 0.000 0.863 236 G HN 0.878 nan 8.290 nan 0.000 0.495 237 G N -1.309 107.496 108.800 0.009 0.000 2.532 237 G HA2 0.705 4.665 3.960 0.000 0.000 0.291 237 G HA3 0.705 4.665 3.960 0.000 0.000 0.291 237 G C 0.562 175.468 174.900 0.010 0.000 1.349 237 G CA -1.120 43.984 45.100 0.006 0.000 1.038 237 G HN 0.624 nan 8.290 nan 0.000 0.518 238 L N 0.217 121.443 121.223 0.005 0.000 2.464 238 L HA 0.295 4.636 4.340 0.000 0.000 0.264 238 L C 1.297 178.181 176.870 0.023 0.000 1.199 238 L CA -0.423 54.420 54.840 0.005 0.000 0.818 238 L CB 0.849 42.901 42.059 -0.013 0.000 1.102 238 L HN 0.679 nan 8.230 nan 0.000 0.473 239 T N -2.325 112.250 114.554 0.036 0.000 2.934 239 T HA 0.126 4.476 4.350 0.000 0.000 0.283 239 T C 0.851 175.622 174.700 0.119 0.000 1.005 239 T CA -0.546 61.602 62.100 0.080 0.000 1.041 239 T CB 0.888 69.805 68.868 0.080 0.000 1.042 239 T HN 0.543 nan 8.240 nan 0.000 0.505 240 Y N 2.468 122.790 120.300 0.037 0.000 2.132 240 Y HA -0.303 4.248 4.550 0.000 0.000 0.280 240 Y C 2.537 178.535 175.900 0.163 0.000 1.193 240 Y CA 1.971 60.124 58.100 0.088 0.000 1.157 240 Y CB -0.177 38.345 38.460 0.104 0.000 0.966 240 Y HN 0.650 nan 8.280 nan 0.000 0.511 241 R N -0.144 120.499 120.500 0.238 0.000 2.093 241 R HA -0.089 4.251 4.340 0.000 0.000 0.224 241 R C 2.090 178.419 176.300 0.049 0.000 1.101 241 R CA 1.467 57.647 56.100 0.134 0.000 0.979 241 R CB -0.442 29.948 30.300 0.149 0.000 0.877 241 R HN 0.482 nan 8.270 nan 0.000 0.441 242 E N 1.306 121.523 120.200 0.029 0.000 2.077 242 E HA -0.158 4.192 4.350 0.000 0.000 0.193 242 E C 2.127 178.701 176.600 -0.043 0.000 0.989 242 E CA 1.179 57.575 56.400 -0.006 0.000 0.800 242 E CB -0.117 29.579 29.700 -0.008 0.000 0.746 242 E HN 0.353 nan 8.360 nan 0.000 0.452 243 A N 1.539 124.309 122.820 -0.082 0.000 1.851 243 A HA -0.236 4.084 4.320 0.000 0.000 0.216 243 A C 1.953 179.415 177.584 -0.203 0.000 1.195 243 A CA 1.560 53.499 52.037 -0.164 0.000 0.622 243 A CB -0.838 18.017 19.000 -0.243 0.000 0.831 243 A HN 0.280 nan 8.150 nan 0.000 0.444 244 H N -1.070 117.878 119.070 -0.204 0.000 2.352 244 H HA -0.142 4.414 4.556 0.000 0.000 0.299 244 H C 2.111 177.372 175.328 -0.112 0.000 1.097 244 H CA 1.962 57.891 56.048 -0.198 0.000 1.311 244 H CB -0.408 29.180 29.762 -0.290 0.000 1.377 244 H HN 0.435 nan 8.280 nan 0.000 0.504 245 L N 0.770 122.011 121.223 0.031 0.000 2.141 245 L HA -0.108 4.232 4.340 0.000 0.000 0.209 245 L C 2.330 179.190 176.870 -0.017 0.000 1.094 245 L CA 0.989 55.833 54.840 0.007 0.000 0.763 245 L CB -0.537 41.523 42.059 0.002 0.000 0.908 245 L HN 0.087 nan 8.230 nan 0.000 0.437 246 L N -0.836 120.363 121.223 -0.039 0.000 2.027 246 L HA -0.167 4.173 4.340 0.000 0.000 0.206 246 L C 2.318 179.163 176.870 -0.041 0.000 1.074 246 L CA 1.866 56.677 54.840 -0.049 0.000 0.745 246 L CB -0.528 41.493 42.059 -0.063 0.000 0.898 246 L HN 0.254 nan 8.230 nan 0.000 0.433 247 M N -0.808 118.761 119.600 -0.051 0.000 2.086 247 M HA -0.217 4.263 4.480 0.000 0.000 0.261 247 M C 2.212 178.504 176.300 -0.014 0.000 1.067 247 M CA 1.686 56.962 55.300 -0.040 0.000 1.116 247 M CB -1.287 31.276 32.600 -0.062 0.000 1.348 247 M HN 0.331 nan 8.290 nan 0.000 0.407 248 E N 0.581 120.779 120.200 -0.003 0.000 2.097 248 E HA -0.185 4.165 4.350 0.000 0.000 0.196 248 E C 2.011 178.612 176.600 0.001 0.000 1.000 248 E CA 1.316 57.720 56.400 0.006 0.000 0.804 248 E CB -0.199 29.509 29.700 0.013 0.000 0.740 248 E HN 0.478 nan 8.360 nan 0.000 0.454 249 I N 0.529 121.095 120.570 -0.006 0.000 2.353 249 I HA -0.239 3.931 4.170 0.000 0.000 0.248 249 I C 2.137 178.253 176.117 -0.001 0.000 1.119 249 I CA 0.760 62.055 61.300 -0.007 0.000 1.417 249 I CB -0.117 37.873 38.000 -0.017 0.000 1.078 249 I HN 0.118 nan 8.210 nan 0.000 0.421 250 L N 0.482 121.705 121.223 -0.001 0.000 2.275 250 L HA -0.135 4.206 4.340 0.000 0.000 0.215 250 L C 2.643 179.526 176.870 0.022 0.000 1.119 250 L CA 0.982 55.828 54.840 0.011 0.000 0.790 250 L CB -0.536 41.526 42.059 0.006 0.000 0.919 250 L HN 0.241 nan 8.230 nan 0.000 0.443 251 A N -0.267 122.562 122.820 0.016 0.000 2.030 251 A HA -0.080 4.241 4.320 0.000 0.000 0.215 251 A C 2.041 179.638 177.584 0.021 0.000 1.164 251 A CA 0.511 52.561 52.037 0.021 0.000 0.697 251 A CB -0.137 18.871 19.000 0.013 0.000 0.827 251 A HN 0.396 nan 8.150 nan 0.000 0.457 252 E N 0.780 120.988 120.200 0.014 0.000 2.268 252 E HA -0.134 4.216 4.350 0.000 0.000 0.195 252 E C 2.118 178.728 176.600 0.016 0.000 0.995 252 E CA 1.127 57.533 56.400 0.010 0.000 0.836 252 E CB -0.174 29.527 29.700 0.002 0.000 0.763 252 E HN 0.773 nan 8.360 nan 0.000 0.491 253 S N -0.078 115.635 115.700 0.021 0.000 2.402 253 S HA -0.061 4.409 4.470 0.000 0.000 0.229 253 S C 1.997 176.618 174.600 0.035 0.000 1.021 253 S CA 0.847 59.063 58.200 0.027 0.000 0.974 253 S CB -0.391 62.828 63.200 0.032 0.000 0.800 253 S HN 0.416 nan 8.310 nan 0.000 0.484 254 G N 1.910 110.736 108.800 0.043 0.000 2.220 254 G HA2 -0.324 3.636 3.960 0.000 0.000 0.269 254 G HA3 -0.324 3.636 3.960 0.000 0.000 0.269 254 G C 0.758 175.701 174.900 0.071 0.000 0.977 254 G CA 0.420 45.552 45.100 0.054 0.000 0.634 254 G HN 0.607 nan 8.290 nan 0.000 0.539 255 R N -0.001 120.540 120.500 0.067 0.000 2.555 255 R HA 0.339 4.680 4.340 0.000 0.000 0.272 255 R C 0.087 176.444 176.300 0.094 0.000 1.089 255 R CA 0.062 56.206 56.100 0.073 0.000 1.126 255 R CB 0.662 30.995 30.300 0.056 0.000 1.250 255 R HN 0.290 nan 8.270 nan 0.000 0.551 256 V N 2.597 122.591 119.914 0.132 0.000 2.348 256 V HA 0.031 4.152 4.120 0.000 0.000 0.270 256 V C 1.220 177.483 176.094 0.281 0.000 1.037 256 V CA -0.336 62.073 62.300 0.182 0.000 0.872 256 V CB 1.221 33.172 31.823 0.213 0.000 1.002 256 V HN 0.373 nan 8.190 nan 0.000 0.464 257 Q N 4.059 123.919 119.800 0.100 0.000 2.259 257 Q HA 0.162 4.502 4.340 0.000 0.000 0.201 257 Q C 0.713 176.291 176.000 -0.704 0.000 0.938 257 Q CA 0.589 56.350 55.803 -0.070 0.000 0.872 257 Q CB 0.429 29.142 28.738 -0.042 0.000 0.971 257 Q HN 0.693 nan 8.270 nan 0.000 0.494 258 S N -0.189 115.178 115.700 -0.556 0.000 2.667 258 S HA 0.756 5.226 4.470 0.000 0.000 0.292 258 S C -1.168 173.231 174.600 -0.334 0.000 1.126 258 S CA -0.965 56.808 58.200 -0.712 0.000 0.881 258 S CB 2.177 65.269 63.200 -0.180 0.000 1.132 258 S HN 0.300 nan 8.310 nan 0.000 0.492 259 L N 0.446 121.555 121.223 -0.189 0.000 2.466 259 L HA 0.758 5.098 4.340 0.000 0.000 0.258 259 L C -2.239 174.638 176.870 0.011 0.000 0.973 259 L CA -0.223 54.592 54.840 -0.041 0.000 0.826 259 L CB 2.239 44.382 42.059 0.140 0.000 1.372 259 L HN 0.747 nan 8.230 nan 0.000 0.409 260 D N 4.307 124.664 120.400 -0.073 0.000 2.498 260 D HA 0.560 5.200 4.640 0.000 0.000 0.247 260 D C -0.948 175.274 176.300 -0.130 0.000 1.070 260 D CA 0.181 54.144 54.000 -0.063 0.000 0.842 260 D CB 2.510 43.269 40.800 -0.068 0.000 1.361 260 D HN 0.486 nan 8.370 nan 0.000 0.484 261 L N 2.300 123.455 121.223 -0.114 0.000 2.433 261 L HA 0.352 4.692 4.340 0.000 0.000 0.256 261 L C -0.016 176.760 176.870 -0.157 0.000 1.063 261 L CA -0.828 53.932 54.840 -0.133 0.000 0.922 261 L CB 1.169 43.178 42.059 -0.084 0.000 1.238 261 L HN 0.167 nan 8.230 nan 0.000 0.466 262 V N -0.792 118.971 119.914 -0.252 0.000 3.234 262 V HA 0.638 4.758 4.120 0.000 0.000 0.317 262 V C 0.576 176.504 176.094 -0.277 0.000 1.147 262 V CA -0.402 61.730 62.300 -0.280 0.000 1.037 262 V CB 1.766 33.340 31.823 -0.415 0.000 1.148 262 V HN 0.674 nan 8.190 nan 0.000 0.455 263 E N -0.625 119.438 120.200 -0.230 0.000 2.791 263 E HA -0.157 4.193 4.350 0.000 0.000 0.271 263 E C -0.442 176.086 176.600 -0.121 0.000 1.044 263 E CA 1.000 57.293 56.400 -0.178 0.000 0.814 263 E CB -1.617 27.963 29.700 -0.200 0.000 1.400 263 E HN 0.817 nan 8.360 nan 0.000 0.423 264 V N 1.677 121.529 119.914 -0.103 0.000 2.432 264 V HA 0.393 4.514 4.120 0.000 0.000 0.271 264 V C 0.362 176.425 176.094 -0.052 0.000 1.046 264 V CA 0.162 62.422 62.300 -0.068 0.000 0.945 264 V CB 1.334 33.123 31.823 -0.057 0.000 0.992 264 V HN 0.398 nan 8.190 nan 0.000 0.471 265 N N 7.346 126.022 118.700 -0.040 0.000 2.576 265 N HA 0.418 5.158 4.740 0.000 0.000 0.269 265 N C -1.610 173.888 175.510 -0.021 0.000 1.058 265 N CA -1.917 51.114 53.050 -0.032 0.000 0.860 265 N CB 2.391 40.856 38.487 -0.037 0.000 1.249 265 N HN 0.197 nan 8.380 nan 0.000 0.525 266 P HA -0.085 nan 4.420 nan 0.000 0.225 266 P C 1.153 178.444 177.300 -0.015 0.000 1.148 266 P CA 0.494 63.586 63.100 -0.013 0.000 0.779 266 P CB 0.464 32.157 31.700 -0.012 0.000 0.780 267 I N -0.745 119.815 120.570 -0.016 0.000 3.001 267 I HA -0.087 4.083 4.170 0.000 0.000 0.268 267 I C 1.747 177.858 176.117 -0.010 0.000 1.267 267 I CA 1.230 62.521 61.300 -0.014 0.000 1.472 267 I CB -0.564 37.428 38.000 -0.014 0.000 1.089 267 I HN -0.108 nan 8.210 nan 0.000 0.468 268 L N -1.263 119.954 121.223 -0.009 0.000 3.267 268 L HA 0.354 4.695 4.340 0.000 0.000 0.289 268 L C -0.203 176.664 176.870 -0.004 0.000 1.260 268 L CA -0.279 54.558 54.840 -0.005 0.000 1.034 268 L CB 0.100 42.158 42.059 -0.003 0.000 1.413 268 L HN -0.063 nan 8.230 nan 0.000 0.594 269 D N 0.706 121.102 120.400 -0.007 0.000 2.392 269 D HA 0.402 5.042 4.640 0.000 0.000 0.246 269 D C -0.709 175.588 176.300 -0.005 0.000 1.013 269 D CA -0.263 53.734 54.000 -0.005 0.000 0.993 269 D CB 1.753 42.550 40.800 -0.005 0.000 1.219 269 D HN 0.005 nan 8.370 nan 0.000 0.538 270 E N 0.716 120.914 120.200 -0.003 0.000 2.165 270 E HA 0.342 4.692 4.350 0.000 0.000 0.266 270 E C -0.440 176.158 176.600 -0.004 0.000 0.889 270 E CA -0.686 55.711 56.400 -0.005 0.000 0.756 270 E CB 1.163 30.860 29.700 -0.004 0.000 1.131 270 E HN 0.253 nan 8.360 nan 0.000 0.411 271 R N 2.536 123.031 120.500 -0.008 0.000 3.301 271 R HA -0.273 4.067 4.340 0.000 0.000 0.249 271 R C -0.248 176.052 176.300 0.000 0.000 0.964 271 R CA 0.613 56.709 56.100 -0.007 0.000 0.653 271 R CB -2.503 27.793 30.300 -0.006 0.000 1.043 271 R HN 0.893 nan 8.270 nan 0.000 0.454 272 N N 0.429 119.128 118.700 -0.001 0.000 2.701 272 N HA -0.255 4.485 4.740 0.000 0.000 0.252 272 N C 1.177 176.698 175.510 0.019 0.000 1.002 272 N CA 1.580 54.635 53.050 0.009 0.000 0.758 272 N CB -0.148 38.348 38.487 0.015 0.000 0.937 272 N HN 0.767 nan 8.380 nan 0.000 0.538 273 R N -2.854 117.655 120.500 0.016 0.000 2.275 273 R HA 0.085 4.426 4.340 0.000 0.000 0.199 273 R C 1.290 177.609 176.300 0.032 0.000 0.989 273 R CA 1.271 57.386 56.100 0.026 0.000 1.016 273 R CB -0.307 30.004 30.300 0.019 0.000 0.918 273 R HN 0.172 nan 8.270 nan 0.000 0.473 274 T N 0.925 115.491 114.554 0.019 0.000 2.857 274 T HA 0.052 4.402 4.350 0.000 0.000 0.266 274 T C 2.068 176.773 174.700 0.008 0.000 1.048 274 T CA 1.170 63.278 62.100 0.013 0.000 1.139 274 T CB -0.055 68.812 68.868 -0.001 0.000 0.874 274 T HN 0.447 nan 8.240 nan 0.000 0.455 275 A N 1.828 124.654 122.820 0.011 0.000 1.855 275 A HA -0.094 4.226 4.320 0.000 0.000 0.215 275 A C 2.185 179.782 177.584 0.021 0.000 1.191 275 A CA 1.609 53.652 52.037 0.010 0.000 0.613 275 A CB -0.740 18.273 19.000 0.022 0.000 0.829 275 A HN 0.490 nan 8.150 nan 0.000 0.442 276 E N -0.754 119.469 120.200 0.038 0.000 2.114 276 E HA -0.247 4.103 4.350 0.000 0.000 0.199 276 E C 2.141 178.782 176.600 0.068 0.000 1.008 276 E CA 1.738 58.171 56.400 0.054 0.000 0.810 276 E CB -0.240 29.497 29.700 0.062 0.000 0.739 276 E HN 0.534 nan 8.360 nan 0.000 0.456 277 M N -0.271 119.371 119.600 0.070 0.000 2.073 277 M HA -0.213 4.267 4.480 0.000 0.000 0.258 277 M C 2.253 178.549 176.300 -0.007 0.000 1.070 277 M CA 1.282 56.629 55.300 0.079 0.000 1.103 277 M CB -0.531 32.109 32.600 0.067 0.000 1.321 277 M HN 0.197 nan 8.290 nan 0.000 0.405 278 L N -0.384 120.820 121.223 -0.032 0.000 2.056 278 L HA -0.104 4.237 4.340 0.000 0.000 0.207 278 L C 2.472 179.310 176.870 -0.054 0.000 1.078 278 L CA 1.175 55.973 54.840 -0.070 0.000 0.749 278 L CB -1.162 40.855 42.059 -0.070 0.000 0.901 278 L HN 0.059 nan 8.230 nan 0.000 0.433 279 V N -0.239 119.664 119.914 -0.018 0.000 2.332 279 V HA -0.259 3.862 4.120 0.000 0.000 0.248 279 V C 2.562 178.659 176.094 0.004 0.000 1.055 279 V CA 1.877 64.173 62.300 -0.007 0.000 1.038 279 V CB -1.455 30.374 31.823 0.011 0.000 0.651 279 V HN 0.578 nan 8.190 nan 0.000 0.450 280 G N -0.325 108.495 108.800 0.034 0.000 2.418 280 G HA2 -0.219 3.741 3.960 0.000 0.000 0.217 280 G HA3 -0.219 3.741 3.960 0.000 0.000 0.217 280 G C 1.586 176.509 174.900 0.038 0.000 1.158 280 G CA 0.989 46.145 45.100 0.093 0.000 0.771 280 G HN 0.482 nan 8.290 nan 0.000 0.545 281 L N 0.679 121.831 121.223 -0.117 0.000 2.093 281 L HA 0.018 4.359 4.340 0.000 0.000 0.208 281 L C 3.382 180.189 176.870 -0.105 0.000 1.085 281 L CA 0.889 55.595 54.840 -0.222 0.000 0.755 281 L CB -0.343 41.537 42.059 -0.297 0.000 0.904 281 L HN 0.288 nan 8.230 nan 0.000 0.435 282 A N 0.353 123.130 122.820 -0.073 0.000 1.883 282 A HA -0.178 4.142 4.320 0.000 0.000 0.217 282 A C 2.250 179.801 177.584 -0.055 0.000 1.186 282 A CA 1.517 53.520 52.037 -0.056 0.000 0.624 282 A CB -0.736 18.237 19.000 -0.045 0.000 0.822 282 A HN 0.334 nan 8.150 nan 0.000 0.444 283 L N -0.436 120.772 121.223 -0.024 0.000 1.970 283 L HA -0.211 4.129 4.340 0.000 0.000 0.212 283 L C 2.910 179.786 176.870 0.011 0.000 1.071 283 L CA 1.750 56.591 54.840 0.001 0.000 0.751 283 L CB -0.967 41.113 42.059 0.035 0.000 0.889 283 L HN 0.359 nan 8.230 nan 0.000 0.432 284 S N 0.369 116.090 115.700 0.034 0.000 2.368 284 S HA -0.239 4.231 4.470 0.000 0.000 0.226 284 S C 1.877 176.480 174.600 0.006 0.000 1.044 284 S CA 1.720 59.948 58.200 0.046 0.000 1.062 284 S CB -0.567 62.694 63.200 0.101 0.000 0.931 284 S HN 0.257 nan 8.310 nan 0.000 0.440 285 L N 1.160 122.368 121.223 -0.025 0.000 2.079 285 L HA 0.035 4.375 4.340 0.000 0.000 0.210 285 L C 1.411 178.247 176.870 -0.057 0.000 1.081 285 L CA 1.546 56.367 54.840 -0.031 0.000 0.752 285 L CB -0.733 41.309 42.059 -0.028 0.000 0.896 285 L HN 0.217 nan 8.230 nan 0.000 0.433 286 L N 0.070 121.230 121.223 -0.105 0.000 2.660 286 L HA 0.286 4.626 4.340 0.000 0.000 0.238 286 L C 1.662 178.539 176.870 0.012 0.000 1.161 286 L CA 0.939 55.672 54.840 -0.179 0.000 0.937 286 L CB -1.012 40.839 42.059 -0.348 0.000 1.122 286 L HN 0.534 nan 8.230 nan 0.000 0.435 287 G N -1.230 107.581 108.800 0.018 0.000 2.238 287 G HA2 -0.278 3.682 3.960 0.000 0.000 0.217 287 G HA3 -0.278 3.682 3.960 0.000 0.000 0.217 287 G C 0.739 175.662 174.900 0.038 0.000 0.996 287 G CA 0.084 45.208 45.100 0.040 0.000 0.632 287 G HN 0.342 nan 8.290 nan 0.000 0.503 288 K N 0.972 121.398 120.400 0.045 0.000 2.527 288 K HA 0.445 4.766 4.320 0.000 0.000 0.278 288 K C 0.489 177.108 176.600 0.032 0.000 0.981 288 K CA 0.413 56.723 56.287 0.037 0.000 1.009 288 K CB 0.179 32.703 32.500 0.040 0.000 0.895 288 K HN 0.448 nan 8.250 nan 0.000 0.493 289 R N 2.898 123.416 120.500 0.031 0.000 2.764 289 R HA 0.278 4.618 4.340 0.000 0.000 0.270 289 R C 0.770 177.097 176.300 0.045 0.000 1.014 289 R CA -0.757 55.366 56.100 0.039 0.000 0.904 289 R CB 0.777 31.108 30.300 0.051 0.000 1.236 289 R HN 0.565 nan 8.270 nan 0.000 0.466 290 I N 0.237 120.840 120.570 0.056 0.000 2.500 290 I HA 0.040 4.210 4.170 0.000 0.000 0.252 290 I C 0.615 176.788 176.117 0.092 0.000 1.142 290 I CA 1.231 62.560 61.300 0.047 0.000 1.451 290 I CB 0.323 38.345 38.000 0.036 0.000 1.093 290 I HN 0.294 nan 8.210 nan 0.000 0.430 291 F N 0.000 119.941 119.950 -0.015 0.000 2.286 291 F HA 0.000 4.527 4.527 0.000 0.000 0.279 291 F CA 0.000 57.992 58.000 -0.013 0.000 1.383 291 F CB 0.000 38.993 39.000 -0.012 0.000 1.145 291 F HN 0.000 nan 8.300 nan 0.000 0.574