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 2vrk_1_C DATA FIRST_RESID 4 DATA SEQUENCE ASRVVVNADR VKGTINRNIY GHFSEHLGRC IYEGLWVGED SPIPNTNGIR DATA SEQUENCE NDVLEALKQX KIPVLRWPGG cFADEYHWKD GVGPREKRKR XVNTHWGGVI DATA SEQUENCE ENNHFGTHEF XXLCELLGCE PYISGNVGSG TVQEXSEWVE YITFDGESPX DATA SEQUENCE ANWRRENGRE KPWRIKYWGV GNENWGcGGN XRAEYYADLY RQFQTYLRNY DATA SEQUENCE GDNKLHKIAC GANTADYHWT EVLXKQAAPF XHGLSLHYYT VPGPWEKKGP DATA SEQUENCE ATGFTTDEWW VTLKKALFXD RLVTKHSAIX DVYDPDKRID LIVDEWGTWY DATA SEQUENCE DVEPGTNPGF LYQQNSIRDA LVAGATLHIF HRHCDRVRXA NIAQLVNVLQ DATA SEQUENCE SVILTEGERX LLTPTYHVFN XFKVHQDAEL LDTWESVERT GPEGELPKVS DATA SEQUENCE VSASRAADGK IHISLCNLDF ETGASVDIEL RGLNGGVSAT GTTLTSGRID DATA SEQUENCE GHNTFDEPER VKPAPFRDFK LEGGHLNASL PPXSVTVLEL TAG 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.615 177.584 0.052 0.000 1.274 4 A CA 0.000 52.066 52.037 0.048 0.000 0.836 4 A CB 0.000 19.029 19.000 0.049 0.000 0.831 5 S N 0.668 116.404 115.700 0.060 0.000 2.565 5 S HA 0.581 5.051 4.470 -0.000 0.000 0.276 5 S C 0.161 174.802 174.600 0.068 0.000 1.326 5 S CA -0.188 58.049 58.200 0.062 0.000 1.045 5 S CB 0.520 63.760 63.200 0.066 0.000 0.918 5 S HN 0.571 nan 8.310 nan 0.000 0.505 6 R N 1.186 121.729 120.500 0.071 0.000 2.599 6 R HA 0.705 5.045 4.340 -0.000 0.000 0.295 6 R C -1.569 174.781 176.300 0.084 0.000 0.963 6 R CA -0.661 55.488 56.100 0.082 0.000 0.883 6 R CB 1.808 32.160 30.300 0.087 0.000 1.171 6 R HN 0.366 nan 8.270 nan 0.000 0.450 7 V N 3.031 122.992 119.914 0.078 0.000 2.686 7 V HA 0.358 4.478 4.120 -0.000 0.000 0.306 7 V C -0.648 175.465 176.094 0.032 0.000 1.065 7 V CA -0.882 61.452 62.300 0.056 0.000 0.894 7 V CB 2.312 34.150 31.823 0.024 0.000 1.004 7 V HN 0.449 nan 8.190 nan 0.000 0.424 8 V N 5.152 125.076 119.914 0.016 0.000 2.370 8 V HA 0.445 4.565 4.120 -0.000 0.000 0.283 8 V C -0.164 175.771 176.094 -0.266 0.000 1.023 8 V CA -0.590 61.654 62.300 -0.094 0.000 0.857 8 V CB 1.844 33.650 31.823 -0.028 0.000 0.985 8 V HN 0.617 nan 8.190 nan 0.000 0.443 9 V N 5.218 124.985 119.914 -0.245 0.000 2.350 9 V HA 0.350 4.470 4.120 -0.000 0.000 0.276 9 V C 0.253 176.153 176.094 -0.324 0.000 1.028 9 V CA -0.707 61.430 62.300 -0.272 0.000 0.860 9 V CB 1.319 33.038 31.823 -0.173 0.000 0.990 9 V HN 0.816 nan 8.190 nan 0.000 0.453 10 N N 4.248 122.699 118.700 -0.414 0.000 2.719 10 N HA 0.241 4.981 4.740 -0.000 0.000 0.243 10 N C 1.063 176.445 175.510 -0.213 0.000 1.104 10 N CA 0.030 52.870 53.050 -0.349 0.000 0.981 10 N CB 1.820 40.033 38.487 -0.458 0.000 1.290 10 N HN 0.806 nan 8.380 nan 0.000 0.513 11 A N 1.345 124.068 122.820 -0.163 0.000 2.178 11 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 11 A C 1.356 178.885 177.584 -0.091 0.000 1.157 11 A CA 1.027 52.993 52.037 -0.118 0.000 0.689 11 A CB 0.005 18.945 19.000 -0.102 0.000 0.787 11 A HN 0.568 nan 8.150 nan 0.000 0.465 12 D N -1.823 118.522 120.400 -0.090 0.000 2.369 12 D HA 0.096 4.736 4.640 -0.000 0.000 0.211 12 D C 0.595 176.862 176.300 -0.055 0.000 1.077 12 D CA -0.098 53.865 54.000 -0.062 0.000 0.842 12 D CB -0.067 40.703 40.800 -0.050 0.000 0.947 12 D HN 0.170 nan 8.370 nan 0.000 0.509 13 R N 1.072 121.527 120.500 -0.075 0.000 2.272 13 R HA 0.388 4.728 4.340 -0.000 0.000 0.323 13 R C -1.516 174.748 176.300 -0.059 0.000 1.002 13 R CA -0.631 55.434 56.100 -0.058 0.000 0.900 13 R CB 0.774 31.034 30.300 -0.065 0.000 1.151 13 R HN -0.198 nan 8.270 nan 0.000 0.507 14 V N 6.212 126.103 119.914 -0.039 0.000 2.406 14 V HA 0.237 4.357 4.120 -0.000 0.000 0.272 14 V C 0.695 176.774 176.094 -0.026 0.000 1.043 14 V CA -0.425 61.853 62.300 -0.036 0.000 0.915 14 V CB 1.607 33.414 31.823 -0.027 0.000 0.988 14 V HN 0.661 nan 8.190 nan 0.000 0.466 15 K N 3.234 123.615 120.400 -0.032 0.000 2.404 15 K HA 0.396 4.716 4.320 -0.000 0.000 0.194 15 K C 0.720 177.309 176.600 -0.018 0.000 1.023 15 K CA 0.627 56.901 56.287 -0.022 0.000 1.094 15 K CB 0.709 33.191 32.500 -0.030 0.000 0.841 15 K HN 0.963 nan 8.250 nan 0.000 0.523 16 G N -0.269 108.520 108.800 -0.019 0.000 2.357 16 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.289 16 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.289 16 G C -1.393 173.497 174.900 -0.016 0.000 1.302 16 G CA -0.948 44.146 45.100 -0.010 0.000 0.936 16 G HN -0.106 nan 8.290 nan 0.000 0.513 17 T N 0.882 115.433 114.554 -0.006 0.000 2.779 17 T HA 0.559 4.908 4.350 -0.000 0.000 0.280 17 T C 0.484 175.182 174.700 -0.003 0.000 0.987 17 T CA -0.216 61.881 62.100 -0.006 0.000 0.966 17 T CB 1.063 69.934 68.868 0.007 0.000 0.933 17 T HN 0.527 nan 8.240 nan 0.000 0.442 18 I N 4.239 124.796 120.570 -0.021 0.000 2.389 18 I HA 0.080 4.250 4.170 -0.000 0.000 0.295 18 I C 1.072 177.223 176.117 0.056 0.000 1.117 18 I CA -0.426 60.872 61.300 -0.004 0.000 1.317 18 I CB 0.000 37.937 38.000 -0.105 0.000 1.431 18 I HN 0.510 nan 8.210 nan 0.000 0.521 19 N N 6.476 125.214 118.700 0.063 0.000 2.412 19 N HA -0.066 4.674 4.740 -0.000 0.000 0.258 19 N C 1.464 177.053 175.510 0.131 0.000 1.236 19 N CA 0.158 53.248 53.050 0.066 0.000 0.882 19 N CB 0.816 39.320 38.487 0.028 0.000 1.066 19 N HN 0.589 nan 8.380 nan 0.000 0.465 20 R N 3.285 123.859 120.500 0.124 0.000 2.127 20 R HA -0.112 4.228 4.340 -0.000 0.000 0.238 20 R C 0.650 177.092 176.300 0.236 0.000 1.134 20 R CA 1.210 57.420 56.100 0.184 0.000 0.975 20 R CB -0.280 30.089 30.300 0.116 0.000 0.865 20 R HN 0.451 nan 8.270 nan 0.000 0.447 21 N N 1.122 119.895 118.700 0.122 0.000 2.519 21 N HA -0.061 4.679 4.740 -0.000 0.000 0.186 21 N C 1.571 177.118 175.510 0.061 0.000 1.062 21 N CA 0.835 53.919 53.050 0.058 0.000 0.910 21 N CB -0.139 38.282 38.487 -0.110 0.000 0.958 21 N HN 0.371 nan 8.380 nan 0.000 0.445 22 I N -0.390 120.241 120.570 0.102 0.000 2.567 22 I HA -0.243 3.927 4.170 -0.000 0.000 0.257 22 I C 0.527 176.643 176.117 -0.001 0.000 1.184 22 I CA 0.998 62.293 61.300 -0.007 0.000 1.451 22 I CB -0.126 37.896 38.000 0.036 0.000 1.089 22 I HN 0.081 nan 8.210 nan 0.000 0.441 23 Y N 0.918 121.360 120.300 0.236 0.000 2.596 23 Y HA 0.275 4.825 4.550 -0.000 0.000 0.316 23 Y C 1.437 177.527 175.900 0.316 0.000 1.156 23 Y CA -0.604 57.724 58.100 0.381 0.000 1.300 23 Y CB -0.443 38.240 38.460 0.373 0.000 1.130 23 Y HN -0.021 nan 8.280 nan 0.000 0.518 24 G N -0.503 108.437 108.800 0.233 0.000 2.634 24 G HA2 0.240 4.199 3.960 -0.000 0.000 0.255 24 G HA3 0.240 4.199 3.960 -0.000 0.000 0.255 24 G C -0.425 174.390 174.900 -0.143 0.000 1.205 24 G CA -0.191 44.996 45.100 0.144 0.000 0.884 24 G HN 0.345 nan 8.290 nan 0.000 0.549 25 H N -1.407 117.736 119.070 0.122 0.000 2.908 25 H HA 0.559 5.115 4.556 -0.000 0.000 0.350 25 H C -1.679 173.744 175.328 0.158 0.000 1.217 25 H CA -0.390 55.687 56.048 0.048 0.000 1.168 25 H CB 2.482 32.213 29.762 -0.053 0.000 1.891 25 H HN 0.402 nan 8.280 nan 0.000 0.566 26 F N 1.568 121.538 119.950 0.033 0.000 2.605 26 F HA 0.342 4.869 4.527 -0.000 0.000 0.320 26 F C -1.461 174.308 175.800 -0.051 0.000 1.159 26 F CA -0.966 57.012 58.000 -0.038 0.000 0.999 26 F CB 1.565 40.495 39.000 -0.118 0.000 1.258 26 F HN 0.396 nan 8.300 nan 0.000 0.464 27 S N 4.443 120.066 115.700 -0.129 0.000 2.707 27 S HA 0.535 5.005 4.470 -0.000 0.000 0.303 27 S C -1.052 173.388 174.600 -0.267 0.000 1.132 27 S CA -0.736 57.262 58.200 -0.336 0.000 1.046 27 S CB 1.761 64.890 63.200 -0.118 0.000 1.004 27 S HN 0.837 nan 8.310 nan 0.000 0.483 28 E N 1.787 121.684 120.200 -0.506 0.000 2.222 28 E HA 0.202 4.552 4.350 -0.000 0.000 0.272 28 E C -0.547 175.869 176.600 -0.305 0.000 0.982 28 E CA -0.805 55.427 56.400 -0.280 0.000 0.842 28 E CB 0.766 30.297 29.700 -0.282 0.000 1.144 28 E HN 0.777 nan 8.360 nan 0.000 0.397 29 H N 3.981 122.688 119.070 -0.605 0.000 3.432 29 H HA 0.161 4.717 4.556 -0.000 0.000 0.252 29 H C -0.427 174.518 175.328 -0.638 0.000 1.397 29 H CA 0.186 55.773 56.048 -0.768 0.000 1.549 29 H CB -0.229 28.673 29.762 -1.433 0.000 1.699 29 H HN 0.252 nan 8.280 nan 0.000 0.523 30 L N 1.707 122.689 121.223 -0.402 0.000 2.549 30 L HA 0.405 4.744 4.340 -0.000 0.000 0.259 30 L C 0.621 177.194 176.870 -0.496 0.000 0.934 30 L CA -0.093 54.525 54.840 -0.371 0.000 0.865 30 L CB 1.523 43.412 42.059 -0.284 0.000 1.352 30 L HN 0.717 nan 8.230 nan 0.000 0.410 31 G N 3.729 112.044 108.800 -0.808 0.000 2.672 31 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.324 31 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.324 31 G C 0.361 174.798 174.900 -0.771 0.000 1.286 31 G CA 0.794 45.072 45.100 -1.370 0.000 1.004 31 G HN 0.768 nan 8.290 nan 0.000 0.548 32 R N -0.532 119.733 120.500 -0.390 0.000 2.696 32 R HA 0.369 4.709 4.340 -0.000 0.000 0.355 32 R C 1.858 178.040 176.300 -0.197 0.000 1.138 32 R CA 0.267 56.249 56.100 -0.197 0.000 1.059 32 R CB -0.318 29.946 30.300 -0.060 0.000 1.380 32 R HN 0.512 nan 8.270 nan 0.000 0.578 33 C N 0.251 119.381 119.300 -0.283 0.000 2.473 33 C HA -0.025 4.434 4.460 -0.000 0.000 0.279 33 C C 2.230 176.995 174.990 -0.375 0.000 1.250 33 C CA 0.593 59.427 59.018 -0.307 0.000 1.713 33 C CB -0.249 27.273 27.740 -0.364 0.000 2.066 33 C HN 0.445 nan 8.230 nan 0.000 0.474 34 I N -0.709 119.546 120.570 -0.524 0.000 2.270 34 I HA 0.079 4.249 4.170 -0.000 0.000 0.239 34 I C 0.496 176.195 176.117 -0.698 0.000 1.080 34 I CA 0.919 61.729 61.300 -0.817 0.000 1.383 34 I CB -1.601 35.613 38.000 -1.310 0.000 1.097 34 I HN 0.248 nan 8.210 nan 0.000 0.420 35 Y N 1.762 121.891 120.300 -0.284 0.000 2.359 35 Y HA 0.181 4.731 4.550 -0.000 0.000 0.334 35 Y C 1.433 177.270 175.900 -0.105 0.000 1.058 35 Y CA 0.310 58.345 58.100 -0.108 0.000 1.244 35 Y CB 0.507 38.917 38.460 -0.083 0.000 1.187 35 Y HN 0.219 nan 8.280 nan 0.000 0.510 36 E N 1.358 121.595 120.200 0.063 0.000 4.512 36 E HA -0.288 4.062 4.350 -0.000 0.000 0.162 36 E C 1.821 178.379 176.600 -0.071 0.000 1.118 36 E CA 1.066 57.456 56.400 -0.018 0.000 2.523 36 E CB -1.463 28.226 29.700 -0.019 0.000 1.694 36 E HN 0.935 nan 8.360 nan 0.000 0.524 37 G N 0.375 109.114 108.800 -0.102 0.000 2.450 37 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.220 37 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.220 37 G C 1.463 176.280 174.900 -0.139 0.000 1.130 37 G CA 1.435 46.464 45.100 -0.118 0.000 0.760 37 G HN 0.288 nan 8.290 nan 0.000 0.557 38 L N -3.106 118.012 121.223 -0.175 0.000 2.678 38 L HA 0.359 4.698 4.340 -0.000 0.000 0.187 38 L C 0.611 177.443 176.870 -0.065 0.000 1.073 38 L CA -0.550 54.196 54.840 -0.156 0.000 0.883 38 L CB 0.352 42.249 42.059 -0.270 0.000 1.501 38 L HN 0.205 nan 8.230 nan 0.000 0.488 39 W N 2.397 123.525 121.300 -0.287 0.000 2.358 39 W HA 0.377 5.037 4.660 -0.000 0.000 0.307 39 W C 0.344 176.866 176.519 0.004 0.000 1.203 39 W CA -0.191 57.094 57.345 -0.100 0.000 1.279 39 W CB 1.519 30.907 29.460 -0.119 0.000 1.264 39 W HN -0.031 nan 8.180 nan 0.000 0.474 40 V N 3.704 123.274 119.914 -0.572 0.000 3.635 40 V HA 0.495 4.615 4.120 -0.000 0.000 0.266 40 V C 0.718 176.503 176.094 -0.515 0.000 1.316 40 V CA 0.618 62.687 62.300 -0.386 0.000 1.060 40 V CB -0.324 31.351 31.823 -0.246 0.000 0.820 40 V HN 0.917 nan 8.190 nan 0.000 0.447 41 G N 0.823 108.958 108.800 -1.108 0.000 2.663 41 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.686 41 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.686 41 G C -0.060 174.601 174.900 -0.397 0.000 1.246 41 G CA 0.097 44.823 45.100 -0.623 0.000 0.795 41 G HN 0.328 nan 8.290 nan 0.000 0.627 42 E N -0.086 120.007 120.200 -0.179 0.000 2.106 42 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 42 E C 0.926 177.480 176.600 -0.076 0.000 0.984 42 E CA 1.405 57.740 56.400 -0.108 0.000 0.806 42 E CB 0.088 29.785 29.700 -0.005 0.000 0.750 42 E HN 0.449 nan 8.360 nan 0.000 0.458 43 D N 0.312 120.686 120.400 -0.044 0.000 2.463 43 D HA 0.052 4.692 4.640 -0.000 0.000 0.224 43 D C -0.192 176.083 176.300 -0.041 0.000 1.174 43 D CA 0.066 54.048 54.000 -0.030 0.000 0.829 43 D CB 0.357 41.156 40.800 -0.002 0.000 0.993 43 D HN -0.109 nan 8.370 nan 0.000 0.497 44 S N 1.538 117.194 115.700 -0.074 0.000 2.560 44 S HA 0.070 4.539 4.470 -0.000 0.000 0.284 44 S C -1.125 173.435 174.600 -0.067 0.000 1.327 44 S CA -0.934 57.219 58.200 -0.077 0.000 1.055 44 S CB 1.024 64.152 63.200 -0.121 0.000 0.868 44 S HN 0.009 nan 8.310 nan 0.000 0.506 45 P HA 0.077 nan 4.420 nan 0.000 0.233 45 P C 0.117 177.383 177.300 -0.057 0.000 1.167 45 P CA 0.501 63.571 63.100 -0.049 0.000 0.770 45 P CB -0.141 31.534 31.700 -0.042 0.000 0.837 46 I N 2.552 123.080 120.570 -0.071 0.000 2.517 46 I HA 0.088 4.258 4.170 -0.000 0.000 0.285 46 I C -2.003 174.067 176.117 -0.079 0.000 1.106 46 I CA -2.173 59.082 61.300 -0.075 0.000 1.402 46 I CB -0.003 37.944 38.000 -0.088 0.000 1.399 46 I HN -0.204 nan 8.210 nan 0.000 0.535 47 P HA 0.025 nan 4.420 nan 0.000 0.264 47 P C -1.041 176.217 177.300 -0.070 0.000 1.193 47 P CA 0.113 63.179 63.100 -0.057 0.000 0.763 47 P CB 0.302 31.977 31.700 -0.042 0.000 0.810 48 N N 0.449 119.104 118.700 -0.075 0.000 2.732 48 N HA 0.345 5.085 4.740 -0.000 0.000 0.259 48 N C -1.518 173.953 175.510 -0.065 0.000 1.402 48 N CA -0.749 52.247 53.050 -0.090 0.000 0.829 48 N CB 1.464 39.857 38.487 -0.157 0.000 1.495 48 N HN 0.030 nan 8.380 nan 0.000 0.511 49 T N 1.400 115.922 114.554 -0.053 0.000 2.842 49 T HA 0.301 4.651 4.350 -0.000 0.000 0.308 49 T C -0.115 174.582 174.700 -0.005 0.000 1.041 49 T CA -0.418 61.671 62.100 -0.019 0.000 0.964 49 T CB -0.227 68.643 68.868 0.003 0.000 0.972 49 T HN 0.625 nan 8.240 nan 0.000 0.460 50 N N 2.316 121.016 118.700 -0.000 0.000 2.693 50 N HA -0.243 4.497 4.740 -0.000 0.000 0.249 50 N C 1.151 176.647 175.510 -0.024 0.000 1.119 50 N CA 1.667 54.742 53.050 0.042 0.000 0.717 50 N CB -1.340 37.217 38.487 0.117 0.000 1.071 50 N HN 1.240 nan 8.380 nan 0.000 0.555 51 G N -1.682 106.967 108.800 -0.252 0.000 2.195 51 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.224 51 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.224 51 G C -0.028 174.446 174.900 -0.711 0.000 0.990 51 G CA 0.130 44.755 45.100 -0.791 0.000 0.639 51 G HN 0.388 nan 8.290 nan 0.000 0.514 52 I N 2.565 123.008 120.570 -0.212 0.000 2.336 52 I HA 0.394 4.564 4.170 -0.000 0.000 0.292 52 I C 1.135 177.197 176.117 -0.092 0.000 0.991 52 I CA -0.998 60.266 61.300 -0.061 0.000 1.227 52 I CB 1.212 39.273 38.000 0.102 0.000 1.366 52 I HN 0.312 nan 8.210 nan 0.000 0.466 53 R N 4.774 125.212 120.500 -0.104 0.000 2.449 53 R HA 0.155 4.495 4.340 -0.000 0.000 0.296 53 R C 0.094 176.357 176.300 -0.062 0.000 1.047 53 R CA -0.379 55.664 56.100 -0.094 0.000 1.018 53 R CB 0.247 30.489 30.300 -0.096 0.000 0.962 53 R HN 0.509 nan 8.270 nan 0.000 0.428 54 N N 2.429 121.096 118.700 -0.054 0.000 2.188 54 N HA -0.182 4.558 4.740 -0.000 0.000 0.184 54 N C 0.878 176.367 175.510 -0.034 0.000 1.018 54 N CA 1.776 54.804 53.050 -0.037 0.000 0.858 54 N CB -0.252 38.217 38.487 -0.032 0.000 0.989 54 N HN 0.774 nan 8.380 nan 0.000 0.426 55 D N 0.539 120.914 120.400 -0.041 0.000 2.117 55 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 55 D C 1.900 178.169 176.300 -0.051 0.000 0.987 55 D CA 0.742 54.717 54.000 -0.042 0.000 0.829 55 D CB -0.750 40.025 40.800 -0.043 0.000 0.961 55 D HN 0.044 nan 8.370 nan 0.000 0.460 56 V N 0.810 120.690 119.914 -0.056 0.000 2.307 56 V HA -0.179 3.941 4.120 -0.000 0.000 0.245 56 V C 2.854 178.921 176.094 -0.045 0.000 1.045 56 V CA 1.116 63.378 62.300 -0.063 0.000 1.024 56 V CB -0.627 31.153 31.823 -0.072 0.000 0.651 56 V HN 0.198 nan 8.190 nan 0.000 0.449 57 L N -0.278 120.924 121.223 -0.034 0.000 2.013 57 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 57 L C 2.786 179.653 176.870 -0.005 0.000 1.073 57 L CA 1.607 56.435 54.840 -0.019 0.000 0.753 57 L CB -0.581 41.471 42.059 -0.012 0.000 0.890 57 L HN 0.363 nan 8.230 nan 0.000 0.432 58 E N -0.218 119.978 120.200 -0.006 0.000 2.107 58 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 58 E C 2.281 178.900 176.600 0.032 0.000 0.982 58 E CA 1.220 57.626 56.400 0.010 0.000 0.809 58 E CB -0.208 29.494 29.700 0.004 0.000 0.756 58 E HN 0.459 nan 8.360 nan 0.000 0.459 59 A N 1.270 124.098 122.820 0.013 0.000 1.933 59 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 59 A C 2.356 180.053 177.584 0.188 0.000 1.175 59 A CA 1.043 53.111 52.037 0.052 0.000 0.628 59 A CB -0.627 18.294 19.000 -0.131 0.000 0.814 59 A HN 0.167 nan 8.150 nan 0.000 0.444 60 L N -1.115 120.159 121.223 0.086 0.000 2.109 60 L HA -0.141 4.198 4.340 -0.000 0.000 0.207 60 L C 2.525 179.421 176.870 0.042 0.000 1.086 60 L CA 1.490 56.359 54.840 0.048 0.000 0.760 60 L CB -0.415 41.623 42.059 -0.035 0.000 0.910 60 L HN 0.334 nan 8.230 nan 0.000 0.437 61 K N -0.294 120.131 120.400 0.041 0.000 2.097 61 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 61 K C 1.220 177.853 176.600 0.055 0.000 1.050 61 K CA 0.602 56.913 56.287 0.039 0.000 0.938 61 K CB -0.087 32.431 32.500 0.030 0.000 0.718 61 K HN 0.101 nan 8.250 nan 0.000 0.442 65 I N 3.477 124.099 120.570 0.087 0.000 2.919 65 I HA -0.053 4.117 4.170 -0.000 0.000 0.299 65 I C -1.381 174.827 176.117 0.151 0.000 1.221 65 I CA -0.835 60.547 61.300 0.137 0.000 1.424 65 I CB 0.933 38.950 38.000 0.029 0.000 1.358 65 I HN 0.201 nan 8.210 nan 0.000 0.551 66 P HA 0.077 nan 4.420 nan 0.000 0.226 66 P C 0.006 177.402 177.300 0.160 0.000 1.160 66 P CA 0.482 63.684 63.100 0.169 0.000 0.837 66 P CB 0.644 32.461 31.700 0.195 0.000 0.860 67 V N -0.090 119.939 119.914 0.191 0.000 3.077 67 V HA 0.571 4.691 4.120 -0.000 0.000 0.299 67 V C -2.220 174.022 176.094 0.246 0.000 1.276 67 V CA -0.999 61.417 62.300 0.193 0.000 0.993 67 V CB 2.447 34.338 31.823 0.113 0.000 1.076 67 V HN -0.132 nan 8.190 nan 0.000 0.434 68 L N 5.678 127.075 121.223 0.290 0.000 2.406 68 L HA 0.694 5.034 4.340 -0.000 0.000 0.272 68 L C -0.481 176.664 176.870 0.457 0.000 0.980 68 L CA -0.236 54.812 54.840 0.346 0.000 0.831 68 L CB 1.698 43.936 42.059 0.298 0.000 1.253 68 L HN 0.833 nan 8.230 nan 0.000 0.406 69 R N 3.821 124.509 120.500 0.314 0.000 2.368 69 R HA 0.579 4.919 4.340 -0.000 0.000 0.302 69 R C -1.915 174.494 176.300 0.182 0.000 1.002 69 R CA -0.410 55.713 56.100 0.039 0.000 0.929 69 R CB 0.989 31.084 30.300 -0.341 0.000 1.073 69 R HN 0.773 nan 8.270 nan 0.000 0.464 70 W N 6.803 127.911 121.300 -0.320 0.000 3.275 70 W HA 0.315 4.975 4.660 -0.000 0.000 0.306 70 W C -2.562 173.698 176.519 -0.433 0.000 1.259 70 W CA -1.532 55.567 57.345 -0.409 0.000 1.194 70 W CB 1.850 30.739 29.460 -0.952 0.000 1.375 70 W HN 0.416 nan 8.180 nan 0.000 0.564 71 P HA 0.378 nan 4.420 nan 0.000 0.263 71 P C 0.156 177.226 177.300 -0.383 0.000 1.448 71 P CA 0.756 62.977 63.100 -1.465 0.000 0.983 71 P CB 1.250 31.763 31.700 -1.978 0.000 1.481 72 G N -1.307 107.417 108.800 -0.126 0.000 2.327 72 G HA2 0.341 4.301 3.960 -0.000 0.000 0.291 72 G HA3 0.341 4.301 3.960 -0.000 0.000 0.291 72 G C -0.054 174.935 174.900 0.148 0.000 1.290 72 G CA -0.208 45.026 45.100 0.224 0.000 0.857 72 G HN 0.107 nan 8.290 nan 0.000 0.520 73 G N -0.999 107.981 108.800 0.300 0.000 2.908 73 G HA2 0.263 4.222 3.960 -0.000 0.000 0.188 73 G HA3 0.263 4.222 3.960 -0.000 0.000 0.188 73 G C 1.767 176.699 174.900 0.053 0.000 1.903 73 G CA 1.418 46.578 45.100 0.100 0.000 0.883 73 G HN 1.155 nan 8.290 nan 0.000 0.515 74 c N -0.233 118.418 118.600 0.085 0.000 2.403 74 c HA -0.081 4.489 4.570 -0.000 0.000 0.277 74 c C 2.506 176.618 174.090 0.036 0.000 1.248 74 c CA 0.885 57.236 56.329 0.036 0.000 1.762 74 c CB -1.372 41.182 42.510 0.074 0.000 2.014 74 c HN 0.451 nan 8.230 nan 0.000 0.486 75 F N 2.268 122.177 119.950 -0.068 0.000 2.202 75 F HA -0.108 4.419 4.527 -0.000 0.000 0.301 75 F C 2.282 177.985 175.800 -0.163 0.000 1.082 75 F CA 1.291 59.222 58.000 -0.114 0.000 1.313 75 F CB -0.374 38.534 39.000 -0.153 0.000 1.024 75 F HN 0.170 nan 8.300 nan 0.000 0.495 76 A N -0.355 122.375 122.820 -0.149 0.000 1.933 76 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 76 A C 1.496 178.947 177.584 -0.222 0.000 1.175 76 A CA 1.937 53.836 52.037 -0.230 0.000 0.628 76 A CB -0.884 18.005 19.000 -0.185 0.000 0.814 76 A HN 0.447 nan 8.150 nan 0.000 0.444 77 D N -0.809 119.469 120.400 -0.203 0.000 2.336 77 D HA 0.152 4.791 4.640 -0.000 0.000 0.228 77 D C 1.203 177.368 176.300 -0.226 0.000 1.120 77 D CA 0.293 54.180 54.000 -0.187 0.000 0.839 77 D CB 0.299 41.007 40.800 -0.153 0.000 0.932 77 D HN 0.647 nan 8.370 nan 0.000 0.509 78 E N -0.770 119.231 120.200 -0.332 0.000 2.434 78 E HA 0.009 4.359 4.350 -0.000 0.000 0.207 78 E C -0.044 176.214 176.600 -0.571 0.000 0.929 78 E CA -0.275 55.907 56.400 -0.364 0.000 1.001 78 E CB 0.464 29.986 29.700 -0.296 0.000 1.016 78 E HN 0.225 nan 8.360 nan 0.000 0.502 79 Y N 2.503 122.279 120.300 -0.873 0.000 2.425 79 Y HA 0.026 4.576 4.550 -0.000 0.000 0.331 79 Y C -0.257 175.165 175.900 -0.796 0.000 1.157 79 Y CA -0.286 57.282 58.100 -0.886 0.000 1.372 79 Y CB 0.370 38.288 38.460 -0.904 0.000 1.253 79 Y HN -0.010 nan 8.280 nan 0.000 0.536 80 H N 8.124 126.770 119.070 -0.707 0.000 2.673 80 H HA -0.009 4.547 4.556 -0.000 0.000 0.293 80 H C 0.752 175.354 175.328 -1.210 0.000 1.065 80 H CA -0.467 55.139 56.048 -0.736 0.000 1.236 80 H CB 0.188 29.675 29.762 -0.459 0.000 1.389 80 H HN 1.015 nan 8.280 nan 0.000 0.481 81 W N 4.350 124.836 121.300 -1.357 0.000 2.331 81 W HA -0.163 4.497 4.660 -0.000 0.000 0.291 81 W C 0.476 176.499 176.519 -0.826 0.000 1.214 81 W CA 0.450 56.875 57.345 -1.533 0.000 1.228 81 W CB -0.424 27.628 29.460 -2.347 0.000 1.135 81 W HN 0.339 nan 8.180 nan 0.000 0.537 82 K N 0.659 120.162 120.400 -1.495 0.000 2.209 82 K HA -0.161 4.159 4.320 -0.000 0.000 0.204 82 K C 1.378 177.695 176.600 -0.471 0.000 1.048 82 K CA 1.799 57.421 56.287 -1.109 0.000 0.940 82 K CB -0.329 31.613 32.500 -0.929 0.000 0.729 82 K HN -0.023 nan 8.250 nan 0.000 0.451 83 D N 0.056 120.210 120.400 -0.410 0.000 2.263 83 D HA -0.097 4.542 4.640 -0.000 0.000 0.208 83 D C 1.521 177.805 176.300 -0.027 0.000 0.971 83 D CA 1.011 54.912 54.000 -0.166 0.000 0.867 83 D CB -0.101 40.627 40.800 -0.121 0.000 0.929 83 D HN 0.371 nan 8.370 nan 0.000 0.492 84 G N 0.030 108.814 108.800 -0.026 0.000 3.393 84 G HA2 0.322 4.282 3.960 -0.000 0.000 0.255 84 G HA3 0.322 4.282 3.960 -0.000 0.000 0.255 84 G C 0.411 175.375 174.900 0.106 0.000 1.097 84 G CA 0.049 45.252 45.100 0.171 0.000 0.780 84 G HN 0.214 nan 8.290 nan 0.000 0.540 85 V N -3.459 116.429 119.914 -0.043 0.000 3.113 85 V HA 1.014 5.134 4.120 -0.000 0.000 0.316 85 V C 0.377 176.399 176.094 -0.119 0.000 1.125 85 V CA -0.359 61.867 62.300 -0.123 0.000 1.026 85 V CB 1.231 32.845 31.823 -0.349 0.000 1.080 85 V HN 1.381 nan 8.190 nan 0.000 0.444 86 G N 1.568 110.288 108.800 -0.133 0.000 2.661 86 G HA2 0.013 3.973 3.960 -0.000 0.000 0.685 86 G HA3 0.013 3.973 3.960 -0.000 0.000 0.685 86 G C -3.123 171.780 174.900 0.005 0.000 1.298 86 G CA -0.463 44.657 45.100 0.034 0.000 0.855 86 G HN 0.966 nan 8.290 nan 0.000 0.560 87 P HA 0.116 nan 4.420 nan 0.000 0.258 87 P C 1.117 178.417 177.300 -0.000 0.000 1.172 87 P CA 0.152 63.263 63.100 0.018 0.000 0.762 87 P CB 0.507 32.234 31.700 0.045 0.000 0.764 88 R N 4.592 125.063 120.500 -0.048 0.000 2.117 88 R HA -0.207 4.133 4.340 -0.000 0.000 0.243 88 R C 1.827 178.059 176.300 -0.113 0.000 1.143 88 R CA 1.639 57.662 56.100 -0.128 0.000 0.968 88 R CB -0.109 30.052 30.300 -0.232 0.000 0.863 88 R HN 0.530 nan 8.270 nan 0.000 0.444 89 E N 0.190 120.366 120.200 -0.040 0.000 2.338 89 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 89 E C 0.577 177.234 176.600 0.095 0.000 1.007 89 E CA 1.012 57.438 56.400 0.044 0.000 0.849 89 E CB 0.140 29.868 29.700 0.047 0.000 0.774 89 E HN 0.182 nan 8.360 nan 0.000 0.506 90 K N 0.955 121.400 120.400 0.076 0.000 2.373 90 K HA 0.245 4.565 4.320 -0.000 0.000 0.202 90 K C 0.373 177.026 176.600 0.089 0.000 1.025 90 K CA -0.208 56.127 56.287 0.079 0.000 1.115 90 K CB 0.837 33.376 32.500 0.065 0.000 0.858 90 K HN 0.056 nan 8.250 nan 0.000 0.525 91 R N 1.406 121.974 120.500 0.114 0.000 2.679 91 R HA 0.150 4.490 4.340 -0.000 0.000 0.269 91 R C 0.242 176.609 176.300 0.111 0.000 1.076 91 R CA -0.105 56.065 56.100 0.117 0.000 1.160 91 R CB 0.666 31.059 30.300 0.155 0.000 1.054 91 R HN -0.074 nan 8.270 nan 0.000 0.507 92 K N 1.686 122.136 120.400 0.084 0.000 2.440 92 K HA -0.006 4.314 4.320 -0.000 0.000 0.270 92 K C 0.397 177.046 176.600 0.083 0.000 0.980 92 K CA 0.504 56.831 56.287 0.067 0.000 0.953 92 K CB 0.591 33.117 32.500 0.043 0.000 0.925 92 K HN 0.430 nan 8.250 nan 0.000 0.497 96 N N 1.552 120.296 118.700 0.073 0.000 2.495 96 N HA 0.592 5.332 4.740 -0.000 0.000 0.294 96 N C 0.020 175.584 175.510 0.090 0.000 1.276 96 N CA 0.339 53.467 53.050 0.129 0.000 0.973 96 N CB 1.979 40.567 38.487 0.169 0.000 1.143 96 N HN 0.900 nan 8.380 nan 0.000 0.589 97 T N -0.962 113.679 114.554 0.145 0.000 3.327 97 T HA 0.304 4.654 4.350 -0.000 0.000 0.373 97 T C 0.142 174.764 174.700 -0.129 0.000 1.589 97 T CA -0.470 61.619 62.100 -0.018 0.000 1.497 97 T CB -0.306 68.551 68.868 -0.019 0.000 1.032 97 T HN 0.606 nan 8.240 nan 0.000 0.640 98 H N -0.323 118.685 119.070 -0.104 0.000 4.555 98 H HA -0.249 4.307 4.556 -0.000 0.000 0.159 98 H C 0.976 176.278 175.328 -0.044 0.000 0.806 98 H CA 2.438 58.405 56.048 -0.134 0.000 1.221 98 H CB -1.247 28.371 29.762 -0.240 0.000 0.965 98 H HN 0.755 nan 8.280 nan 0.000 0.400 99 W N 0.788 122.154 121.300 0.110 0.000 2.292 99 W HA -0.231 4.429 4.660 -0.000 0.000 0.304 99 W C 2.443 179.016 176.519 0.090 0.000 1.228 99 W CA 1.613 59.008 57.345 0.084 0.000 1.241 99 W CB -0.229 29.271 29.460 0.066 0.000 1.142 99 W HN 0.436 nan 8.180 nan 0.000 0.520 100 G N -2.592 106.400 108.800 0.321 0.000 2.704 100 G HA2 0.344 4.304 3.960 -0.000 0.000 0.151 100 G HA3 0.344 4.304 3.960 -0.000 0.000 0.151 100 G C 0.510 175.572 174.900 0.269 0.000 1.372 100 G CA 0.178 45.432 45.100 0.257 0.000 0.765 100 G HN 0.293 nan 8.290 nan 0.000 0.680 101 G N -0.862 108.092 108.800 0.257 0.000 2.782 101 G HA2 0.552 4.512 3.960 -0.000 0.000 0.201 101 G HA3 0.552 4.512 3.960 -0.000 0.000 0.201 101 G C 0.213 175.234 174.900 0.202 0.000 1.374 101 G CA 0.720 46.015 45.100 0.325 0.000 1.039 101 G HN 0.806 nan 8.290 nan 0.000 0.576 102 V N -0.978 119.029 119.914 0.155 0.000 5.482 102 V HA 0.368 4.487 4.120 -0.000 0.000 0.110 102 V C -0.175 175.922 176.094 0.005 0.000 0.967 102 V CA -0.158 62.158 62.300 0.027 0.000 1.266 102 V CB -0.331 31.460 31.823 -0.053 0.000 2.022 102 V HN 0.442 nan 8.190 nan 0.000 0.536 103 I N 1.959 122.507 120.570 -0.037 0.000 2.339 103 I HA 0.579 4.749 4.170 -0.000 0.000 0.290 103 I C -0.716 175.296 176.117 -0.174 0.000 0.994 103 I CA -0.122 61.118 61.300 -0.101 0.000 1.191 103 I CB 1.515 39.429 38.000 -0.143 0.000 1.343 103 I HN 0.398 nan 8.210 nan 0.000 0.458 104 E N 5.457 125.595 120.200 -0.102 0.000 2.149 104 E HA 0.206 4.556 4.350 -0.000 0.000 0.255 104 E C 0.041 176.600 176.600 -0.069 0.000 0.888 104 E CA -0.529 55.827 56.400 -0.072 0.000 0.742 104 E CB 0.492 30.268 29.700 0.127 0.000 1.164 104 E HN 0.557 nan 8.360 nan 0.000 0.422 105 N N 3.604 122.172 118.700 -0.221 0.000 2.280 105 N HA 0.009 4.749 4.740 -0.000 0.000 0.192 105 N C -0.241 175.317 175.510 0.080 0.000 1.109 105 N CA -0.056 52.900 53.050 -0.157 0.000 0.855 105 N CB -0.040 38.167 38.487 -0.467 0.000 0.974 105 N HN 0.404 nan 8.380 nan 0.000 0.482 106 N N 0.095 118.934 118.700 0.233 0.000 2.753 106 N HA -0.231 4.509 4.740 -0.000 0.000 0.251 106 N C 0.062 175.817 175.510 0.407 0.000 1.097 106 N CA 0.946 54.230 53.050 0.390 0.000 0.786 106 N CB -1.729 36.939 38.487 0.302 0.000 1.137 106 N HN 0.664 nan 8.380 nan 0.000 0.566 107 H N -1.580 117.613 119.070 0.205 0.000 2.457 107 H HA -0.027 4.528 4.556 -0.000 0.000 0.294 107 H C 0.435 175.573 175.328 -0.317 0.000 1.064 107 H CA 0.473 56.539 56.048 0.031 0.000 1.330 107 H CB 0.131 29.998 29.762 0.175 0.000 1.395 107 H HN 0.168 nan 8.280 nan 0.000 0.541 108 F N 1.685 121.531 119.950 -0.173 0.000 2.334 108 F HA 0.386 4.913 4.527 -0.000 0.000 0.367 108 F C 0.502 176.394 175.800 0.153 0.000 1.115 108 F CA -0.387 57.393 58.000 -0.366 0.000 1.116 108 F CB 0.484 39.152 39.000 -0.554 0.000 1.230 108 F HN -0.056 nan 8.300 nan 0.000 0.484 109 G N 2.646 111.345 108.800 -0.169 0.000 3.247 109 G HA2 0.186 4.146 3.960 -0.000 0.000 0.226 109 G HA3 0.186 4.146 3.960 -0.000 0.000 0.226 109 G C 0.486 175.397 174.900 0.018 0.000 1.220 109 G CA -0.011 45.224 45.100 0.224 0.000 0.875 109 G HN 0.349 nan 8.290 nan 0.000 0.606 110 T N 0.164 114.932 114.554 0.356 0.000 2.652 110 T HA -0.122 4.227 4.350 -0.000 0.000 0.267 110 T C 1.949 176.603 174.700 -0.078 0.000 1.039 110 T CA 1.855 64.128 62.100 0.288 0.000 1.153 110 T CB -0.516 68.700 68.868 0.580 0.000 0.863 110 T HN 0.452 nan 8.240 nan 0.000 0.428 111 H N 0.803 119.859 119.070 -0.023 0.000 2.353 111 H HA -0.067 4.489 4.556 -0.000 0.000 0.300 111 H C 2.484 177.694 175.328 -0.196 0.000 1.090 111 H CA 1.530 57.584 56.048 0.010 0.000 1.327 111 H CB 0.006 29.896 29.762 0.213 0.000 1.383 111 H HN 0.397 nan 8.280 nan 0.000 0.508 112 E N 0.571 120.611 120.200 -0.265 0.000 2.110 112 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 112 E C 0.769 176.947 176.600 -0.704 0.000 0.988 112 E CA 0.303 56.391 56.400 -0.519 0.000 0.804 112 E CB -0.228 28.892 29.700 -0.966 0.000 0.745 112 E HN 0.197 nan 8.360 nan 0.000 0.458 117 C N 1.347 120.419 119.300 -0.380 0.000 2.429 117 C HA -0.124 4.336 4.460 -0.000 0.000 0.277 117 C C 2.293 177.193 174.990 -0.151 0.000 1.262 117 C CA 1.577 60.407 59.018 -0.313 0.000 1.733 117 C CB -0.704 26.750 27.740 -0.476 0.000 2.010 117 C HN 0.511 nan 8.230 nan 0.000 0.483 118 E N 0.585 120.710 120.200 -0.126 0.000 2.085 118 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 118 E C 2.028 178.619 176.600 -0.015 0.000 0.994 118 E CA 1.143 57.523 56.400 -0.034 0.000 0.801 118 E CB -0.190 29.520 29.700 0.015 0.000 0.743 118 E HN 0.622 nan 8.360 nan 0.000 0.453 119 L N 0.352 121.564 121.223 -0.019 0.000 2.141 119 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 119 L C 2.260 179.126 176.870 -0.006 0.000 1.094 119 L CA 0.725 55.563 54.840 -0.002 0.000 0.763 119 L CB -0.189 41.875 42.059 0.008 0.000 0.908 119 L HN 0.174 nan 8.230 nan 0.000 0.437 120 L N -0.612 120.597 121.223 -0.023 0.000 2.418 120 L HA 0.078 4.418 4.340 -0.000 0.000 0.218 120 L C 1.535 178.406 176.870 0.001 0.000 1.125 120 L CA 0.643 55.475 54.840 -0.014 0.000 0.835 120 L CB -0.443 41.599 42.059 -0.028 0.000 0.953 120 L HN 0.481 nan 8.230 nan 0.000 0.454 121 G N 0.166 108.966 108.800 -0.002 0.000 2.160 121 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.251 121 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.251 121 G C 0.286 175.201 174.900 0.024 0.000 1.008 121 G CA 0.224 45.332 45.100 0.014 0.000 0.724 121 G HN 0.479 nan 8.290 nan 0.000 0.514 122 C N -1.083 118.225 119.300 0.013 0.000 2.401 122 C HA 0.889 5.349 4.460 -0.000 0.000 0.356 122 C C 0.472 175.489 174.990 0.044 0.000 1.192 122 C CA -1.593 57.452 59.018 0.044 0.000 2.028 122 C CB 1.858 29.633 27.740 0.058 0.000 2.344 122 C HN 0.408 nan 8.230 nan 0.000 0.525 123 E N 2.680 122.946 120.200 0.110 0.000 2.338 123 E HA 0.346 4.696 4.350 -0.000 0.000 0.272 123 E C -2.300 174.411 176.600 0.184 0.000 1.029 123 E CA -1.216 55.278 56.400 0.158 0.000 0.872 123 E CB 0.920 30.796 29.700 0.293 0.000 1.015 123 E HN 0.575 nan 8.360 nan 0.000 0.417 124 P HA 0.069 nan 4.420 nan 0.000 0.279 124 P C -0.848 176.745 177.300 0.488 0.000 1.239 124 P CA -0.249 63.008 63.100 0.262 0.000 0.789 124 P CB 0.420 32.189 31.700 0.115 0.000 0.933 125 Y N 3.948 124.488 120.300 0.400 0.000 2.488 125 Y HA 0.449 4.999 4.550 -0.000 0.000 0.330 125 Y C -1.080 174.861 175.900 0.068 0.000 1.013 125 Y CA -2.048 56.203 58.100 0.251 0.000 1.304 125 Y CB 0.164 38.739 38.460 0.192 0.000 1.098 125 Y HN 0.221 nan 8.280 nan 0.000 0.498 126 I N 3.983 124.603 120.570 0.083 0.000 2.365 126 I HA 0.233 4.403 4.170 -0.000 0.000 0.291 126 I C 0.337 176.012 176.117 -0.737 0.000 1.004 126 I CA -0.496 60.499 61.300 -0.509 0.000 1.311 126 I CB 1.476 38.840 38.000 -1.062 0.000 1.401 126 I HN 0.487 nan 8.210 nan 0.000 0.491 127 S N 4.570 119.889 115.700 -0.635 0.000 2.420 127 S HA 0.510 4.979 4.470 -0.000 0.000 0.313 127 S C 0.206 174.599 174.600 -0.344 0.000 1.079 127 S CA -0.647 57.276 58.200 -0.461 0.000 1.104 127 S CB 0.460 63.434 63.200 -0.377 0.000 0.969 127 S HN 0.773 nan 8.310 nan 0.000 0.471 128 G N 3.172 111.816 108.800 -0.260 0.000 2.569 128 G HA2 0.162 4.122 3.960 -0.000 0.000 0.249 128 G HA3 0.162 4.122 3.960 -0.000 0.000 0.249 128 G C -0.036 174.955 174.900 0.152 0.000 1.216 128 G CA -0.537 44.679 45.100 0.193 0.000 0.845 128 G HN 0.658 nan 8.290 nan 0.000 0.568 129 N N 1.074 119.900 118.700 0.210 0.000 2.437 129 N HA 0.154 4.894 4.740 -0.000 0.000 0.243 129 N C 0.943 176.438 175.510 -0.025 0.000 1.041 129 N CA -0.419 52.650 53.050 0.033 0.000 0.940 129 N CB 1.491 39.950 38.487 -0.048 0.000 1.133 129 N HN 0.049 nan 8.380 nan 0.000 0.506 130 V N 3.219 123.027 119.914 -0.177 0.000 2.492 130 V HA 0.089 4.209 4.120 -0.000 0.000 0.241 130 V C 2.221 178.221 176.094 -0.158 0.000 1.041 130 V CA 1.630 63.671 62.300 -0.431 0.000 1.057 130 V CB -0.740 30.812 31.823 -0.451 0.000 0.711 130 V HN 0.727 nan 8.190 nan 0.000 0.468 131 G N 0.385 109.132 108.800 -0.087 0.000 2.442 131 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 131 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 131 G C 1.450 176.372 174.900 0.036 0.000 1.141 131 G CA 1.613 46.703 45.100 -0.017 0.000 0.763 131 G HN 0.693 nan 8.290 nan 0.000 0.554 132 S N -1.166 114.549 115.700 0.025 0.000 2.900 132 S HA 0.530 4.999 4.470 -0.000 0.000 0.253 132 S C 0.821 175.527 174.600 0.176 0.000 1.029 132 S CA 0.267 58.518 58.200 0.086 0.000 1.096 132 S CB 0.737 63.971 63.200 0.056 0.000 1.067 132 S HN 0.538 nan 8.310 nan 0.000 0.610 133 G N 1.395 110.298 108.800 0.172 0.000 2.552 133 G HA2 0.630 4.590 3.960 -0.000 0.000 0.318 133 G HA3 0.630 4.590 3.960 -0.000 0.000 0.318 133 G C -0.373 174.750 174.900 0.372 0.000 1.240 133 G CA -0.228 45.038 45.100 0.278 0.000 1.002 133 G HN 0.492 nan 8.290 nan 0.000 0.493 134 T N -3.139 111.619 114.554 0.341 0.000 2.942 134 T HA 0.415 4.765 4.350 -0.000 0.000 0.289 134 T C 1.232 175.995 174.700 0.104 0.000 1.044 134 T CA -0.438 61.785 62.100 0.204 0.000 1.023 134 T CB 1.544 70.450 68.868 0.064 0.000 1.123 134 T HN 0.200 nan 8.240 nan 0.000 0.512 135 V N 1.296 120.957 119.914 -0.422 0.000 2.287 135 V HA -0.206 3.913 4.120 -0.000 0.000 0.248 135 V C 3.006 178.991 176.094 -0.182 0.000 1.053 135 V CA 2.399 64.318 62.300 -0.635 0.000 1.027 135 V CB -0.971 30.384 31.823 -0.781 0.000 0.646 135 V HN 1.040 nan 8.190 nan 0.000 0.447 136 Q N 0.355 120.069 119.800 -0.143 0.000 2.084 136 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 136 Q C 1.523 177.607 176.000 0.139 0.000 0.978 136 Q CA 1.417 57.198 55.803 -0.037 0.000 0.844 136 Q CB -0.023 28.681 28.738 -0.056 0.000 0.898 136 Q HN 0.801 nan 8.270 nan 0.000 0.426 140 E N 0.243 120.624 120.200 0.302 0.000 2.150 140 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 140 E C 1.361 178.172 176.600 0.353 0.000 0.985 140 E CA 1.085 57.722 56.400 0.395 0.000 0.814 140 E CB -0.103 29.921 29.700 0.539 0.000 0.752 140 E HN 0.628 nan 8.360 nan 0.000 0.466 141 W N 1.227 122.446 121.300 -0.135 0.000 2.355 141 W HA -0.174 4.485 4.660 -0.000 0.000 0.309 141 W C 1.998 178.364 176.519 -0.256 0.000 1.206 141 W CA 0.890 57.751 57.345 -0.808 0.000 1.284 141 W CB -0.698 28.319 29.460 -0.737 0.000 1.145 141 W HN -0.154 nan 8.180 nan 0.000 0.502 142 V N 0.453 120.333 119.914 -0.056 0.000 2.295 142 V HA -0.312 3.807 4.120 -0.000 0.000 0.246 142 V C 2.306 178.475 176.094 0.125 0.000 1.049 142 V CA 2.431 64.609 62.300 -0.204 0.000 1.024 142 V CB -0.972 30.597 31.823 -0.424 0.000 0.648 142 V HN 0.183 nan 8.190 nan 0.000 0.447 143 E N -0.713 119.604 120.200 0.196 0.000 2.051 143 E HA -0.290 4.060 4.350 -0.000 0.000 0.192 143 E C 2.218 178.920 176.600 0.169 0.000 0.991 143 E CA 1.797 58.240 56.400 0.071 0.000 0.799 143 E CB -0.310 29.391 29.700 0.003 0.000 0.748 143 E HN 0.684 nan 8.360 nan 0.000 0.449 144 Y N 1.121 121.519 120.300 0.163 0.000 2.114 144 Y HA -0.259 4.291 4.550 -0.000 0.000 0.282 144 Y C 2.026 178.074 175.900 0.246 0.000 1.165 144 Y CA 2.177 60.422 58.100 0.243 0.000 1.148 144 Y CB -0.137 38.467 38.460 0.240 0.000 0.972 144 Y HN 0.068 nan 8.280 nan 0.000 0.504 145 I N -0.880 119.948 120.570 0.429 0.000 2.286 145 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 145 I C 2.072 178.391 176.117 0.336 0.000 1.104 145 I CA 1.904 63.492 61.300 0.480 0.000 1.397 145 I CB -0.371 37.863 38.000 0.390 0.000 1.072 145 I HN 0.407 nan 8.210 nan 0.000 0.417 146 T N -3.125 111.572 114.554 0.239 0.000 2.975 146 T HA 0.139 4.489 4.350 -0.000 0.000 0.257 146 T C 0.302 175.118 174.700 0.194 0.000 1.003 146 T CA -0.298 61.936 62.100 0.224 0.000 0.932 146 T CB -0.172 68.856 68.868 0.268 0.000 1.087 146 T HN -0.031 nan 8.240 nan 0.000 0.512 147 F N 4.596 124.472 119.950 -0.124 0.000 2.412 147 F HA 0.408 4.935 4.527 -0.000 0.000 0.348 147 F C 0.728 176.440 175.800 -0.147 0.000 1.102 147 F CA -1.765 56.072 58.000 -0.272 0.000 1.196 147 F CB 1.244 39.875 39.000 -0.614 0.000 1.144 147 F HN 0.135 nan 8.300 nan 0.000 0.541 148 D N 1.811 121.768 120.400 -0.739 0.000 2.379 148 D HA 0.174 4.814 4.640 -0.000 0.000 0.208 148 D C 1.000 176.814 176.300 -0.810 0.000 1.065 148 D CA 0.261 53.901 54.000 -0.599 0.000 0.848 148 D CB -0.371 40.249 40.800 -0.301 0.000 0.949 148 D HN 0.565 nan 8.370 nan 0.000 0.509 149 G N 0.056 107.862 108.800 -1.657 0.000 2.630 149 G HA2 0.353 4.313 3.960 -0.000 0.000 0.223 149 G HA3 0.353 4.313 3.960 -0.000 0.000 0.223 149 G C -0.339 174.268 174.900 -0.487 0.000 1.434 149 G CA -0.632 43.906 45.100 -0.938 0.000 1.057 149 G HN 0.009 nan 8.290 nan 0.000 0.570 150 E N 0.105 120.265 120.200 -0.066 0.000 2.156 150 E HA 0.496 4.846 4.350 -0.000 0.000 0.279 150 E C -0.672 176.081 176.600 0.256 0.000 0.965 150 E CA -0.341 56.103 56.400 0.073 0.000 0.789 150 E CB 1.628 31.357 29.700 0.048 0.000 1.098 150 E HN 0.526 nan 8.360 nan 0.000 0.397 151 S N 1.610 117.447 115.700 0.230 0.000 2.595 151 S HA 0.486 4.956 4.470 -0.000 0.000 0.270 151 S C -3.013 171.692 174.600 0.174 0.000 1.145 151 S CA -1.433 56.889 58.200 0.203 0.000 0.825 151 S CB 1.391 64.721 63.200 0.218 0.000 1.107 151 S HN 0.086 nan 8.310 nan 0.000 0.461 155 N N -0.391 118.396 118.700 0.146 0.000 2.223 155 N HA -0.154 4.586 4.740 -0.000 0.000 0.185 155 N C 1.257 176.912 175.510 0.242 0.000 1.016 155 N CA 1.649 54.782 53.050 0.138 0.000 0.863 155 N CB -0.406 38.158 38.487 0.127 0.000 0.983 155 N HN 0.735 nan 8.380 nan 0.000 0.429 156 W N 2.828 124.197 121.300 0.116 0.000 2.409 156 W HA 0.071 4.731 4.660 -0.000 0.000 0.299 156 W C 2.358 178.995 176.519 0.198 0.000 1.203 156 W CA 0.701 58.174 57.345 0.213 0.000 1.298 156 W CB -0.511 29.179 29.460 0.384 0.000 1.127 156 W HN -0.009 nan 8.180 nan 0.000 0.528 157 R N 0.503 120.991 120.500 -0.020 0.000 2.080 157 R HA -0.188 4.151 4.340 -0.000 0.000 0.236 157 R C 2.373 178.639 176.300 -0.057 0.000 1.137 157 R CA 2.023 57.900 56.100 -0.372 0.000 0.943 157 R CB -0.502 29.300 30.300 -0.831 0.000 0.846 157 R HN 0.127 nan 8.270 nan 0.000 0.431 158 R N 0.273 120.737 120.500 -0.059 0.000 2.091 158 R HA -0.180 4.159 4.340 -0.000 0.000 0.238 158 R C 2.379 178.703 176.300 0.041 0.000 1.136 158 R CA 1.824 57.906 56.100 -0.031 0.000 0.959 158 R CB -0.424 29.855 30.300 -0.036 0.000 0.856 158 R HN 0.474 nan 8.270 nan 0.000 0.437 159 E N 0.809 121.075 120.200 0.111 0.000 2.160 159 E HA -0.175 4.174 4.350 -0.000 0.000 0.195 159 E C 0.875 177.542 176.600 0.112 0.000 0.991 159 E CA 1.068 57.552 56.400 0.141 0.000 0.810 159 E CB 0.086 29.936 29.700 0.249 0.000 0.742 159 E HN 0.252 nan 8.360 nan 0.000 0.466 160 N N -0.664 118.092 118.700 0.093 0.000 2.383 160 N HA 0.052 4.792 4.740 -0.000 0.000 0.192 160 N C 0.602 176.089 175.510 -0.040 0.000 1.141 160 N CA 0.924 53.955 53.050 -0.031 0.000 0.851 160 N CB 1.120 39.501 38.487 -0.176 0.000 0.976 160 N HN 0.353 nan 8.380 nan 0.000 0.465 161 G N 0.665 109.496 108.800 0.051 0.000 2.184 161 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.206 161 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.206 161 G C 0.130 175.066 174.900 0.061 0.000 0.995 161 G CA -0.334 44.801 45.100 0.058 0.000 0.651 161 G HN 0.372 nan 8.290 nan 0.000 0.511 162 R N 0.698 121.214 120.500 0.027 0.000 2.320 162 R HA 0.678 5.018 4.340 -0.000 0.000 0.319 162 R C 0.816 176.935 176.300 -0.301 0.000 0.969 162 R CA -0.174 55.785 56.100 -0.235 0.000 0.857 162 R CB 1.127 31.041 30.300 -0.642 0.000 1.160 162 R HN 0.154 nan 8.270 nan 0.000 0.491 163 E N 3.617 123.674 120.200 -0.238 0.000 2.021 163 E HA -0.028 4.321 4.350 -0.000 0.000 0.189 163 E C -0.414 176.040 176.600 -0.244 0.000 0.980 163 E CA 1.382 57.666 56.400 -0.192 0.000 0.803 163 E CB 0.148 29.771 29.700 -0.129 0.000 0.766 163 E HN 0.628 nan 8.360 nan 0.000 0.449 164 K N 1.114 121.352 120.400 -0.269 0.000 2.098 164 K HA 0.352 4.672 4.320 -0.000 0.000 0.257 164 K C -2.320 174.057 176.600 -0.372 0.000 0.999 164 K CA -1.984 54.146 56.287 -0.262 0.000 0.924 164 K CB 0.733 33.119 32.500 -0.189 0.000 1.028 164 K HN -0.063 nan 8.250 nan 0.000 0.466 165 P HA 0.009 nan 4.420 nan 0.000 0.272 165 P C -0.552 176.627 177.300 -0.200 0.000 1.240 165 P CA -0.298 62.660 63.100 -0.237 0.000 0.791 165 P CB 0.430 32.082 31.700 -0.081 0.000 0.978 166 W N 0.684 121.966 121.300 -0.030 0.000 2.332 166 W HA 0.293 4.953 4.660 -0.000 0.000 0.351 166 W C 0.902 177.431 176.519 0.016 0.000 1.195 166 W CA -0.172 57.165 57.345 -0.012 0.000 1.334 166 W CB 0.573 30.027 29.460 -0.011 0.000 1.206 166 W HN 0.166 nan 8.180 nan 0.000 0.637 167 R N 1.628 122.294 120.500 0.276 0.000 2.540 167 R HA 0.642 4.982 4.340 -0.000 0.000 0.287 167 R C -0.786 175.605 176.300 0.152 0.000 0.980 167 R CA -1.029 55.172 56.100 0.168 0.000 0.966 167 R CB 1.853 32.215 30.300 0.103 0.000 1.106 167 R HN 0.598 nan 8.270 nan 0.000 0.480 168 I N 1.071 121.714 120.570 0.122 0.000 2.722 168 I HA 0.206 4.376 4.170 -0.000 0.000 0.292 168 I C 0.123 176.267 176.117 0.045 0.000 1.267 168 I CA -0.363 61.002 61.300 0.109 0.000 1.036 168 I CB 1.971 40.091 38.000 0.199 0.000 1.281 168 I HN 0.482 nan 8.210 nan 0.000 0.423 169 K N 4.656 124.995 120.400 -0.102 0.000 2.157 169 K HA 0.147 4.467 4.320 -0.000 0.000 0.207 169 K C -0.543 175.934 176.600 -0.205 0.000 1.030 169 K CA 0.647 56.753 56.287 -0.303 0.000 0.965 169 K CB 0.004 32.028 32.500 -0.793 0.000 0.877 169 K HN 0.418 nan 8.250 nan 0.000 0.460 170 Y N 0.615 120.979 120.300 0.107 0.000 2.480 170 Y HA 0.033 4.583 4.550 -0.000 0.000 0.341 170 Y C -0.087 175.938 175.900 0.209 0.000 1.031 170 Y CA -0.401 57.705 58.100 0.008 0.000 1.295 170 Y CB 0.230 38.483 38.460 -0.345 0.000 1.162 170 Y HN 0.191 nan 8.280 nan 0.000 0.523 171 W N 4.345 125.766 121.300 0.202 0.000 2.587 171 W HA 0.524 5.184 4.660 -0.000 0.000 0.324 171 W C -0.574 176.118 176.519 0.288 0.000 1.008 171 W CA -1.327 56.150 57.345 0.221 0.000 1.265 171 W CB 1.981 31.509 29.460 0.114 0.000 1.328 171 W HN 0.677 nan 8.180 nan 0.000 0.432 172 G N 3.138 112.059 108.800 0.201 0.000 2.339 172 G HA2 0.394 4.354 3.960 -0.000 0.000 0.287 172 G HA3 0.394 4.354 3.960 -0.000 0.000 0.287 172 G C -0.850 174.186 174.900 0.228 0.000 1.163 172 G CA -0.403 44.869 45.100 0.286 0.000 0.872 172 G HN 0.253 nan 8.290 nan 0.000 0.464 173 V N 3.063 123.213 119.914 0.394 0.000 2.174 173 V HA 0.605 4.724 4.120 -0.000 0.000 0.259 173 V C 1.002 177.276 176.094 0.299 0.000 1.261 173 V CA 0.548 63.090 62.300 0.404 0.000 1.137 173 V CB -0.783 31.355 31.823 0.525 0.000 1.290 173 V HN 1.471 nan 8.190 nan 0.000 0.486 174 G N 2.813 111.683 108.800 0.116 0.000 2.719 174 G HA2 -0.165 3.794 3.960 -0.000 0.000 0.686 174 G HA3 -0.165 3.794 3.960 -0.000 0.000 0.686 174 G C -0.831 174.008 174.900 -0.102 0.000 1.201 174 G CA -0.354 44.746 45.100 0.001 0.000 0.768 174 G HN 0.760 nan 8.290 nan 0.000 0.629 175 N N 1.108 119.680 118.700 -0.213 0.000 2.258 175 N HA 0.421 5.161 4.740 -0.000 0.000 0.299 175 N C 0.436 175.643 175.510 -0.504 0.000 1.047 175 N CA 0.015 52.890 53.050 -0.292 0.000 0.814 175 N CB 1.349 39.712 38.487 -0.207 0.000 1.413 175 N HN 0.839 nan 8.380 nan 0.000 0.478 176 E N 1.245 120.972 120.200 -0.788 0.000 2.199 176 E HA -0.257 4.093 4.350 -0.000 0.000 0.208 176 E C 0.005 175.737 176.600 -1.447 0.000 1.310 176 E CA 0.435 55.901 56.400 -1.558 0.000 0.709 176 E CB -1.245 27.783 29.700 -1.120 0.000 1.127 176 E HN 0.653 nan 8.360 nan 0.000 0.354 177 N N -0.075 117.919 118.700 -1.176 0.000 2.396 177 N HA -0.122 4.618 4.740 -0.000 0.000 0.180 177 N C 1.371 176.663 175.510 -0.363 0.000 1.028 177 N CA 1.279 53.962 53.050 -0.611 0.000 0.893 177 N CB -0.059 38.132 38.487 -0.493 0.000 0.967 177 N HN 0.532 nan 8.380 nan 0.000 0.440 178 W N 0.079 121.187 121.300 -0.320 0.000 2.525 178 W HA 0.244 4.904 4.660 -0.000 0.000 0.259 178 W C 0.884 177.334 176.519 -0.115 0.000 1.253 178 W CA 0.450 57.668 57.345 -0.211 0.000 1.262 178 W CB -0.683 28.424 29.460 -0.589 0.000 1.122 178 W HN -0.033 nan 8.180 nan 0.000 0.607 179 G N 0.928 109.632 108.800 -0.161 0.000 3.054 179 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.201 179 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.201 179 G C 0.912 175.741 174.900 -0.119 0.000 1.694 179 G CA 0.565 45.657 45.100 -0.015 0.000 0.742 179 G HN 0.203 nan 8.290 nan 0.000 0.790 180 c N 1.036 119.541 118.600 -0.158 0.000 2.443 180 c HA 0.332 4.902 4.570 -0.000 0.000 0.290 180 c C 2.280 176.288 174.090 -0.137 0.000 1.476 180 c CA 0.595 56.862 56.329 -0.102 0.000 1.772 180 c CB -1.244 41.233 42.510 -0.055 0.000 1.714 180 c HN 0.564 nan 8.230 nan 0.000 0.562 181 G N -0.650 108.008 108.800 -0.237 0.000 3.448 181 G HA2 0.459 4.419 3.960 -0.000 0.000 0.261 181 G HA3 0.459 4.419 3.960 -0.000 0.000 0.261 181 G C 1.059 175.895 174.900 -0.106 0.000 1.173 181 G CA 0.552 45.529 45.100 -0.206 0.000 0.835 181 G HN 1.403 nan 8.290 nan 0.000 0.534 182 G N -0.477 108.298 108.800 -0.042 0.000 2.370 182 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.174 182 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.174 182 G C 0.227 175.188 174.900 0.101 0.000 1.002 182 G CA -0.106 45.026 45.100 0.054 0.000 0.730 182 G HN 0.670 nan 8.290 nan 0.000 0.497 186 A N 1.479 124.274 122.820 -0.043 0.000 1.917 186 A HA -0.228 4.091 4.320 -0.000 0.000 0.219 186 A C 1.454 178.823 177.584 -0.359 0.000 1.182 186 A CA 2.055 53.609 52.037 -0.804 0.000 0.633 186 A CB -0.315 18.183 19.000 -0.835 0.000 0.819 186 A HN 0.767 nan 8.150 nan 0.000 0.448 187 E N -1.646 118.490 120.200 -0.106 0.000 2.110 187 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 187 E C 1.790 178.427 176.600 0.060 0.000 0.988 187 E CA 1.447 57.828 56.400 -0.032 0.000 0.804 187 E CB -0.413 29.311 29.700 0.041 0.000 0.745 187 E HN 0.790 nan 8.360 nan 0.000 0.458 188 Y N -0.344 119.960 120.300 0.006 0.000 2.184 188 Y HA -0.214 4.335 4.550 -0.000 0.000 0.290 188 Y C 2.139 178.081 175.900 0.070 0.000 1.129 188 Y CA 1.249 59.379 58.100 0.051 0.000 1.144 188 Y CB -0.687 37.830 38.460 0.095 0.000 0.995 188 Y HN 0.141 nan 8.280 nan 0.000 0.513 189 Y N 0.736 120.973 120.300 -0.106 0.000 2.165 189 Y HA -0.232 4.318 4.550 -0.000 0.000 0.286 189 Y C 2.411 178.246 175.900 -0.109 0.000 1.155 189 Y CA 1.815 59.830 58.100 -0.143 0.000 1.164 189 Y CB -0.918 37.573 38.460 0.051 0.000 0.978 189 Y HN 0.158 nan 8.280 nan 0.000 0.513 190 A N 0.165 122.809 122.820 -0.293 0.000 1.908 190 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 190 A C 1.999 179.456 177.584 -0.211 0.000 1.181 190 A CA 2.028 53.892 52.037 -0.288 0.000 0.627 190 A CB -0.849 18.032 19.000 -0.198 0.000 0.818 190 A HN 0.558 nan 8.150 nan 0.000 0.445 191 D N 0.103 120.399 120.400 -0.173 0.000 2.097 191 D HA -0.117 4.523 4.640 -0.000 0.000 0.195 191 D C 2.015 178.215 176.300 -0.167 0.000 0.989 191 D CA 1.092 55.011 54.000 -0.134 0.000 0.827 191 D CB -0.366 40.404 40.800 -0.050 0.000 0.966 191 D HN 0.447 nan 8.370 nan 0.000 0.456 192 L N -0.109 120.961 121.223 -0.256 0.000 2.046 192 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 192 L C 2.534 179.361 176.870 -0.071 0.000 1.077 192 L CA 1.085 55.852 54.840 -0.121 0.000 0.747 192 L CB -0.582 41.352 42.059 -0.209 0.000 0.896 192 L HN 0.088 nan 8.230 nan 0.000 0.432 193 Y N 1.255 121.278 120.300 -0.461 0.000 2.097 193 Y HA -0.293 4.257 4.550 -0.000 0.000 0.282 193 Y C 2.793 178.598 175.900 -0.158 0.000 1.152 193 Y CA 1.644 59.509 58.100 -0.392 0.000 1.136 193 Y CB -0.246 37.825 38.460 -0.650 0.000 0.975 193 Y HN -0.030 nan 8.280 nan 0.000 0.498 194 R N -0.069 120.285 120.500 -0.243 0.000 2.105 194 R HA -0.229 4.111 4.340 -0.000 0.000 0.239 194 R C 2.476 178.545 176.300 -0.384 0.000 1.135 194 R CA 1.864 57.724 56.100 -0.400 0.000 0.967 194 R CB -0.413 29.639 30.300 -0.414 0.000 0.861 194 R HN 0.546 nan 8.270 nan 0.000 0.442 195 Q N 0.068 119.744 119.800 -0.207 0.000 2.020 195 Q HA -0.135 4.205 4.340 -0.000 0.000 0.198 195 Q C 1.796 177.773 176.000 -0.038 0.000 0.974 195 Q CA 1.416 57.154 55.803 -0.108 0.000 0.829 195 Q CB -0.078 28.626 28.738 -0.057 0.000 0.894 195 Q HN 0.242 nan 8.270 nan 0.000 0.433 196 F N 1.464 121.333 119.950 -0.136 0.000 2.095 196 F HA -0.290 4.237 4.527 -0.000 0.000 0.298 196 F C 2.656 178.383 175.800 -0.122 0.000 1.104 196 F CA 1.763 59.727 58.000 -0.058 0.000 1.232 196 F CB -0.326 38.648 39.000 -0.044 0.000 0.987 196 F HN 0.339 nan 8.300 nan 0.000 0.475 197 Q N -0.231 119.462 119.800 -0.177 0.000 2.226 197 Q HA -0.146 4.194 4.340 -0.000 0.000 0.204 197 Q C 1.577 177.447 176.000 -0.217 0.000 0.975 197 Q CA 2.143 57.790 55.803 -0.260 0.000 0.866 197 Q CB -1.642 26.759 28.738 -0.561 0.000 0.915 197 Q HN 0.226 nan 8.270 nan 0.000 0.440 198 T N -0.015 114.369 114.554 -0.283 0.000 2.759 198 T HA -0.163 4.187 4.350 -0.000 0.000 0.269 198 T C 0.447 174.818 174.700 -0.548 0.000 1.042 198 T CA 1.676 63.507 62.100 -0.448 0.000 1.140 198 T CB -0.330 68.157 68.868 -0.635 0.000 0.864 198 T HN 0.485 nan 8.240 nan 0.000 0.455 199 Y N 0.477 120.690 120.300 -0.146 0.000 2.468 199 Y HA 0.390 4.940 4.550 -0.000 0.000 0.268 199 Y C 0.444 176.263 175.900 -0.135 0.000 1.177 199 Y CA -0.369 57.654 58.100 -0.129 0.000 1.265 199 Y CB -0.224 38.164 38.460 -0.120 0.000 1.103 199 Y HN 0.110 nan 8.280 nan 0.000 0.522 200 L N 2.455 123.623 121.223 -0.093 0.000 2.268 200 L HA 0.362 4.702 4.340 -0.000 0.000 0.289 200 L C -0.060 176.664 176.870 -0.244 0.000 1.064 200 L CA -0.516 54.207 54.840 -0.194 0.000 0.824 200 L CB 0.237 42.125 42.059 -0.284 0.000 1.202 200 L HN -0.032 nan 8.230 nan 0.000 0.433 201 R N 1.865 122.175 120.500 -0.316 0.000 2.532 201 R HA 0.344 4.684 4.340 -0.000 0.000 0.272 201 R C -0.417 175.583 176.300 -0.500 0.000 1.032 201 R CA -0.940 54.866 56.100 -0.490 0.000 1.089 201 R CB 0.635 30.420 30.300 -0.858 0.000 1.098 201 R HN 0.373 nan 8.270 nan 0.000 0.526 202 N N 1.816 120.278 118.700 -0.398 0.000 2.437 202 N HA 0.159 4.898 4.740 -0.000 0.000 0.243 202 N C -0.998 174.363 175.510 -0.249 0.000 1.041 202 N CA -0.037 52.873 53.050 -0.234 0.000 0.940 202 N CB 0.281 38.698 38.487 -0.116 0.000 1.133 202 N HN 0.292 nan 8.380 nan 0.000 0.506 203 Y N 0.779 121.108 120.300 0.049 0.000 2.334 203 Y HA 0.463 5.013 4.550 -0.000 0.000 0.328 203 Y C 1.639 177.610 175.900 0.118 0.000 1.130 203 Y CA 0.136 58.315 58.100 0.131 0.000 1.163 203 Y CB 1.027 39.637 38.460 0.250 0.000 1.207 203 Y HN 0.722 nan 8.280 nan 0.000 0.471 204 G N 2.554 111.526 108.800 0.285 0.000 2.622 204 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.307 204 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.307 204 G C 0.532 175.490 174.900 0.097 0.000 1.226 204 G CA 0.786 45.980 45.100 0.156 0.000 0.997 204 G HN 0.611 nan 8.290 nan 0.000 0.551 205 D N 1.512 121.956 120.400 0.074 0.000 2.339 205 D HA 0.102 4.742 4.640 -0.000 0.000 0.217 205 D C 1.055 177.386 176.300 0.051 0.000 1.050 205 D CA -0.037 53.994 54.000 0.051 0.000 0.856 205 D CB -0.180 40.642 40.800 0.037 0.000 0.922 205 D HN 0.374 nan 8.370 nan 0.000 0.518 206 N N 1.877 120.620 118.700 0.072 0.000 2.513 206 N HA -0.003 4.737 4.740 -0.000 0.000 0.268 206 N C -0.533 174.997 175.510 0.035 0.000 1.180 206 N CA 0.291 53.380 53.050 0.065 0.000 0.948 206 N CB 0.561 39.111 38.487 0.104 0.000 1.083 206 N HN -0.231 nan 8.380 nan 0.000 0.455 207 K N 4.295 124.709 120.400 0.023 0.000 2.502 207 K HA 0.344 4.664 4.320 -0.000 0.000 0.254 207 K C -0.277 176.336 176.600 0.022 0.000 0.947 207 K CA -0.551 55.746 56.287 0.017 0.000 0.834 207 K CB 1.697 34.215 32.500 0.030 0.000 1.112 207 K HN 0.505 nan 8.250 nan 0.000 0.427 208 L N 2.342 123.577 121.223 0.019 0.000 2.397 208 L HA 0.157 4.497 4.340 -0.000 0.000 0.271 208 L C 0.745 177.689 176.870 0.123 0.000 1.148 208 L CA -0.219 54.653 54.840 0.053 0.000 0.825 208 L CB 0.353 42.413 42.059 0.002 0.000 1.117 208 L HN 0.480 nan 8.230 nan 0.000 0.456 209 H N 4.214 123.304 119.070 0.033 0.000 2.683 209 H HA 0.243 4.799 4.556 -0.000 0.000 0.270 209 H C -0.802 174.643 175.328 0.196 0.000 1.201 209 H CA -0.697 55.401 56.048 0.083 0.000 1.277 209 H CB 0.624 30.335 29.762 -0.085 0.000 1.400 209 H HN 0.523 nan 8.280 nan 0.000 0.504 210 K N 5.193 125.690 120.400 0.162 0.000 2.339 210 K HA 0.285 4.604 4.320 -0.000 0.000 0.286 210 K C -0.163 176.608 176.600 0.284 0.000 1.050 210 K CA -0.109 56.349 56.287 0.284 0.000 0.956 210 K CB 1.252 33.922 32.500 0.283 0.000 0.990 210 K HN 0.451 nan 8.250 nan 0.000 0.475 211 I N 2.838 123.614 120.570 0.344 0.000 2.382 211 I HA 0.244 4.414 4.170 -0.000 0.000 0.286 211 I C -0.087 176.195 176.117 0.275 0.000 1.002 211 I CA -0.649 60.804 61.300 0.255 0.000 1.135 211 I CB 1.777 39.902 38.000 0.208 0.000 1.288 211 I HN 0.637 nan 8.210 nan 0.000 0.448 212 A N 5.128 127.993 122.820 0.075 0.000 2.340 212 A HA 0.284 4.604 4.320 -0.000 0.000 0.268 212 A C 0.002 177.669 177.584 0.137 0.000 1.100 212 A CA -0.382 51.626 52.037 -0.049 0.000 0.803 212 A CB 0.748 19.388 19.000 -0.600 0.000 1.043 212 A HN 0.887 nan 8.150 nan 0.000 0.488 213 C N 3.137 122.574 119.300 0.229 0.000 2.638 213 C HA 0.515 4.975 4.460 -0.000 0.000 0.410 213 C C 1.175 176.296 174.990 0.219 0.000 1.404 213 C CA 0.374 59.400 59.018 0.014 0.000 1.651 213 C CB -1.611 25.895 27.740 -0.390 0.000 2.495 213 C HN 0.981 nan 8.230 nan 0.000 0.606 214 G N 4.171 113.019 108.800 0.080 0.000 2.702 214 G HA2 0.675 4.635 3.960 -0.000 0.000 0.254 214 G HA3 0.675 4.635 3.960 -0.000 0.000 0.254 214 G C -0.178 174.564 174.900 -0.264 0.000 1.380 214 G CA 0.050 45.230 45.100 0.133 0.000 1.042 214 G HN 1.286 nan 8.290 nan 0.000 0.557 215 A N -0.440 122.187 122.820 -0.321 0.000 2.386 215 A HA 0.443 4.763 4.320 -0.000 0.000 0.248 215 A C 0.348 177.529 177.584 -0.671 0.000 1.082 215 A CA -0.235 51.433 52.037 -0.614 0.000 0.789 215 A CB 0.173 18.962 19.000 -0.351 0.000 1.025 215 A HN 0.603 nan 8.150 nan 0.000 0.490 216 N N 0.875 118.892 118.700 -1.139 0.000 2.422 216 N HA 0.379 5.118 4.740 -0.000 0.000 0.264 216 N C 0.785 176.022 175.510 -0.455 0.000 1.063 216 N CA 1.041 53.539 53.050 -0.920 0.000 0.959 216 N CB -0.176 37.272 38.487 -1.732 0.000 1.087 216 N HN 0.787 nan 8.380 nan 0.000 0.483 217 T N 2.665 117.133 114.554 -0.143 0.000 13.879 217 T HA -0.316 4.034 4.350 -0.000 0.000 0.418 217 T C 0.781 175.418 174.700 -0.106 0.000 1.442 217 T CA 2.185 64.282 62.100 -0.005 0.000 2.336 217 T CB -1.425 67.509 68.868 0.110 0.000 2.768 217 T HN 0.766 nan 8.240 nan 0.000 0.395 218 A N 1.425 124.124 122.820 -0.200 0.000 2.532 218 A HA 0.386 4.706 4.320 -0.000 0.000 0.273 218 A C 0.518 177.635 177.584 -0.779 0.000 1.342 218 A CA 0.319 52.016 52.037 -0.567 0.000 0.929 218 A CB -0.189 18.670 19.000 -0.236 0.000 1.051 218 A HN 0.595 nan 8.150 nan 0.000 0.521 219 D N -0.146 119.996 120.400 -0.430 0.000 2.551 219 D HA 0.150 4.790 4.640 -0.000 0.000 0.223 219 D C 0.401 176.681 176.300 -0.033 0.000 1.144 219 D CA -0.176 53.689 54.000 -0.226 0.000 1.025 219 D CB -0.261 40.404 40.800 -0.225 0.000 1.085 219 D HN 0.440 nan 8.370 nan 0.000 0.506 220 Y N 0.509 120.894 120.300 0.141 0.000 2.293 220 Y HA -0.113 4.436 4.550 -0.000 0.000 0.291 220 Y C 2.208 178.222 175.900 0.190 0.000 1.137 220 Y CA 0.957 59.119 58.100 0.104 0.000 1.202 220 Y CB -0.774 37.660 38.460 -0.043 0.000 0.990 220 Y HN 0.526 nan 8.280 nan 0.000 0.537 221 H N -0.664 118.548 119.070 0.237 0.000 2.390 221 H HA -0.261 4.295 4.556 -0.000 0.000 0.298 221 H C 2.178 177.621 175.328 0.192 0.000 1.106 221 H CA 2.189 58.345 56.048 0.181 0.000 1.297 221 H CB -0.527 29.318 29.762 0.138 0.000 1.375 221 H HN 0.473 nan 8.280 nan 0.000 0.509 222 W N 1.061 122.369 121.300 0.013 0.000 2.335 222 W HA -0.205 4.455 4.660 -0.000 0.000 0.311 222 W C 1.707 178.206 176.519 -0.033 0.000 1.213 222 W CA 2.241 59.566 57.345 -0.035 0.000 1.274 222 W CB -0.660 28.789 29.460 -0.019 0.000 1.148 222 W HN 0.248 nan 8.180 nan 0.000 0.498 223 T N 0.455 115.200 114.554 0.318 0.000 2.708 223 T HA -0.288 4.061 4.350 -0.000 0.000 0.266 223 T C 1.624 176.358 174.700 0.057 0.000 1.037 223 T CA 1.957 64.201 62.100 0.240 0.000 1.146 223 T CB -0.528 68.587 68.868 0.412 0.000 0.865 223 T HN 0.329 nan 8.240 nan 0.000 0.435 224 E N 0.519 120.746 120.200 0.045 0.000 2.058 224 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 224 E C 2.216 178.649 176.600 -0.279 0.000 0.997 224 E CA 1.214 57.587 56.400 -0.044 0.000 0.801 224 E CB -0.104 29.628 29.700 0.052 0.000 0.746 224 E HN 0.283 nan 8.360 nan 0.000 0.450 225 V N 1.665 121.369 119.914 -0.350 0.000 2.307 225 V HA -0.181 3.939 4.120 -0.000 0.000 0.245 225 V C 1.861 177.745 176.094 -0.349 0.000 1.045 225 V CA 0.819 62.887 62.300 -0.387 0.000 1.024 225 V CB -0.383 31.146 31.823 -0.490 0.000 0.651 225 V HN 0.267 nan 8.190 nan 0.000 0.449 229 Q N -0.259 119.425 119.800 -0.193 0.000 2.250 229 Q HA 0.265 4.605 4.340 -0.000 0.000 0.200 229 Q C 1.246 177.267 176.000 0.035 0.000 0.941 229 Q CA 1.444 57.204 55.803 -0.071 0.000 0.872 229 Q CB 1.215 29.898 28.738 -0.092 0.000 0.965 229 Q HN 0.366 nan 8.270 nan 0.000 0.480 230 A N -0.505 122.322 122.820 0.012 0.000 2.551 230 A HA 0.530 4.850 4.320 -0.000 0.000 0.252 230 A C 1.866 179.525 177.584 0.124 0.000 1.199 230 A CA 0.691 52.838 52.037 0.184 0.000 0.972 230 A CB 0.054 19.125 19.000 0.120 0.000 1.153 230 A HN 0.161 nan 8.150 nan 0.000 0.559 231 A N 1.836 124.644 122.820 -0.021 0.000 1.915 231 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 231 A C 0.081 177.594 177.584 -0.118 0.000 1.198 231 A CA 2.489 54.493 52.037 -0.055 0.000 0.647 231 A CB -1.766 17.204 19.000 -0.051 0.000 0.825 231 A HN 0.433 nan 8.150 nan 0.000 0.456 232 P HA 0.046 nan 4.420 nan 0.000 0.226 232 P C -0.047 176.889 177.300 -0.607 0.000 1.153 232 P CA 0.693 63.474 63.100 -0.533 0.000 0.777 232 P CB -0.021 31.183 31.700 -0.826 0.000 0.794 236 G N 0.876 109.734 108.800 0.097 0.000 2.690 236 G HA2 0.512 4.471 3.960 -0.000 0.000 0.293 236 G HA3 0.512 4.471 3.960 -0.000 0.000 0.293 236 G C -2.330 172.613 174.900 0.072 0.000 1.399 236 G CA -0.618 44.549 45.100 0.111 0.000 0.890 236 G HN 0.056 nan 8.290 nan 0.000 0.485 237 L N 1.470 122.728 121.223 0.058 0.000 2.410 237 L HA 0.730 5.070 4.340 -0.000 0.000 0.270 237 L C 0.607 177.499 176.870 0.037 0.000 0.983 237 L CA -0.565 54.303 54.840 0.046 0.000 0.822 237 L CB 1.907 43.993 42.059 0.045 0.000 1.285 237 L HN 0.807 nan 8.230 nan 0.000 0.409 238 S N 4.276 120.000 115.700 0.040 0.000 2.661 238 S HA 0.815 5.285 4.470 -0.000 0.000 0.265 238 S C -0.612 173.964 174.600 -0.041 0.000 1.225 238 S CA -0.577 57.637 58.200 0.024 0.000 0.986 238 S CB 1.466 64.700 63.200 0.057 0.000 1.008 238 S HN 0.823 nan 8.310 nan 0.000 0.565 239 L N 0.029 121.253 121.223 0.001 0.000 2.505 239 L HA 0.522 4.862 4.340 -0.000 0.000 0.259 239 L C -1.699 175.296 176.870 0.209 0.000 0.952 239 L CA -0.225 54.577 54.840 -0.063 0.000 0.840 239 L CB 1.852 43.815 42.059 -0.161 0.000 1.358 239 L HN 0.984 nan 8.230 nan 0.000 0.409 240 H N 4.025 123.076 119.070 -0.032 0.000 2.547 240 H HA 0.534 5.090 4.556 -0.000 0.000 0.342 240 H C -1.948 173.441 175.328 0.103 0.000 1.048 240 H CA -0.669 55.399 56.048 0.033 0.000 1.204 240 H CB 2.203 32.056 29.762 0.151 0.000 1.493 240 H HN 0.630 nan 8.280 nan 0.000 0.511 241 Y N 3.656 123.964 120.300 0.013 0.000 2.330 241 Y HA 0.225 4.775 4.550 -0.000 0.000 0.324 241 Y C -2.062 173.848 175.900 0.016 0.000 1.093 241 Y CA -0.955 57.181 58.100 0.060 0.000 1.103 241 Y CB 0.546 39.055 38.460 0.083 0.000 1.183 241 Y HN 0.509 nan 8.280 nan 0.000 0.433 242 Y N 3.111 123.203 120.300 -0.346 0.000 2.361 242 Y HA 0.454 5.004 4.550 -0.000 0.000 0.332 242 Y C 0.577 176.115 175.900 -0.602 0.000 1.101 242 Y CA -0.633 57.306 58.100 -0.269 0.000 1.137 242 Y CB 1.873 40.432 38.460 0.164 0.000 1.207 242 Y HN 0.508 nan 8.280 nan 0.000 0.463 243 T N 3.849 118.290 114.554 -0.190 0.000 2.739 243 T HA 0.374 4.723 4.350 -0.000 0.000 0.298 243 T C -0.596 174.074 174.700 -0.050 0.000 0.929 243 T CA -0.394 61.626 62.100 -0.134 0.000 1.014 243 T CB -0.348 68.493 68.868 -0.045 0.000 0.914 243 T HN 0.297 nan 8.240 nan 0.000 0.509 244 V N 7.928 127.838 119.914 -0.006 0.000 2.349 244 V HA 0.226 4.345 4.120 -0.000 0.000 0.284 244 V C -1.649 174.456 176.094 0.020 0.000 1.014 244 V CA -1.767 60.526 62.300 -0.012 0.000 0.826 244 V CB 1.445 33.272 31.823 0.007 0.000 1.009 244 V HN 0.545 nan 8.190 nan 0.000 0.431 245 P HA -0.052 nan 4.420 nan 0.000 0.211 245 P C 1.010 178.333 177.300 0.038 0.000 1.179 245 P CA 1.312 64.440 63.100 0.047 0.000 0.910 245 P CB 0.206 31.944 31.700 0.063 0.000 0.785 246 G N -0.454 108.361 108.800 0.026 0.000 2.510 246 G HA2 0.406 4.365 3.960 -0.000 0.000 0.280 246 G HA3 0.406 4.365 3.960 -0.000 0.000 0.280 246 G C -2.425 172.484 174.900 0.016 0.000 1.386 246 G CA -1.202 43.910 45.100 0.020 0.000 1.047 246 G HN 0.040 nan 8.290 nan 0.000 0.527 247 P HA -0.073 nan 4.420 nan 0.000 0.272 247 P C 0.524 177.852 177.300 0.048 0.000 1.240 247 P CA -0.486 62.646 63.100 0.053 0.000 0.791 247 P CB 1.006 32.736 31.700 0.048 0.000 0.978 248 W N 2.177 123.422 121.300 -0.092 0.000 2.338 248 W HA -0.162 4.498 4.660 -0.000 0.000 0.304 248 W C 1.555 178.002 176.519 -0.119 0.000 1.212 248 W CA 1.950 59.204 57.345 -0.152 0.000 1.264 248 W CB -0.065 29.294 29.460 -0.169 0.000 1.142 248 W HN 0.416 nan 8.180 nan 0.000 0.512 249 E N 0.448 120.691 120.200 0.071 0.000 2.338 249 E HA -0.163 4.187 4.350 -0.000 0.000 0.197 249 E C 0.485 177.048 176.600 -0.062 0.000 1.007 249 E CA 0.964 57.372 56.400 0.013 0.000 0.849 249 E CB -0.423 29.316 29.700 0.064 0.000 0.774 249 E HN 0.185 nan 8.360 nan 0.000 0.506 250 K N 0.722 121.076 120.400 -0.077 0.000 2.896 250 K HA 0.188 4.508 4.320 -0.000 0.000 0.228 250 K C 0.058 176.615 176.600 -0.072 0.000 1.151 250 K CA -0.172 56.075 56.287 -0.066 0.000 1.035 250 K CB 0.664 33.152 32.500 -0.020 0.000 1.263 250 K HN -0.208 nan 8.250 nan 0.000 0.574 251 K N 0.712 121.035 120.400 -0.129 0.000 2.211 251 K HA 0.045 4.365 4.320 -0.000 0.000 0.203 251 K C 0.728 177.333 176.600 0.008 0.000 1.050 251 K CA 0.737 56.965 56.287 -0.098 0.000 0.945 251 K CB 0.097 32.482 32.500 -0.190 0.000 0.732 251 K HN 0.737 nan 8.250 nan 0.000 0.451 252 G N 1.849 110.654 108.800 0.008 0.000 2.619 252 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.686 252 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.686 252 G C -3.153 171.743 174.900 -0.006 0.000 1.256 252 G CA -1.006 44.102 45.100 0.013 0.000 0.826 252 G HN -0.082 nan 8.290 nan 0.000 0.619 253 P HA 0.530 nan 4.420 nan 0.000 0.282 253 P C 0.791 177.855 177.300 -0.393 0.000 1.259 253 P CA 0.445 63.471 63.100 -0.122 0.000 0.826 253 P CB 1.696 33.366 31.700 -0.050 0.000 1.064 254 A N 2.263 124.807 122.820 -0.460 0.000 1.968 254 A HA 0.058 4.378 4.320 -0.000 0.000 0.217 254 A C 1.139 178.585 177.584 -0.230 0.000 1.169 254 A CA 1.756 53.375 52.037 -0.697 0.000 0.638 254 A CB -1.043 17.774 19.000 -0.305 0.000 0.812 254 A HN 0.729 nan 8.150 nan 0.000 0.446 255 T N -6.723 107.757 114.554 -0.122 0.000 2.901 255 T HA 0.539 4.889 4.350 -0.000 0.000 0.293 255 T C 0.667 175.278 174.700 -0.148 0.000 1.084 255 T CA 0.181 62.206 62.100 -0.124 0.000 1.008 255 T CB 1.299 69.957 68.868 -0.349 0.000 1.170 255 T HN 1.740 nan 8.240 nan 0.000 0.509 256 G N 1.039 109.640 108.800 -0.332 0.000 2.179 256 G HA2 -0.176 3.783 3.960 -0.000 0.000 0.257 256 G HA3 -0.176 3.783 3.960 -0.000 0.000 0.257 256 G C -0.130 174.628 174.900 -0.235 0.000 1.010 256 G CA 0.409 45.341 45.100 -0.280 0.000 0.736 256 G HN 1.282 nan 8.290 nan 0.000 0.513 257 F N 0.490 120.366 119.950 -0.124 0.000 2.368 257 F HA 0.831 5.358 4.527 -0.000 0.000 0.315 257 F C 0.918 176.662 175.800 -0.092 0.000 1.145 257 F CA -0.858 57.078 58.000 -0.107 0.000 1.095 257 F CB -0.046 38.876 39.000 -0.130 0.000 1.286 257 F HN 0.302 nan 8.300 nan 0.000 0.530 258 T N -2.730 111.954 114.554 0.216 0.000 2.788 258 T HA 0.267 4.617 4.350 -0.000 0.000 0.280 258 T C 1.247 176.047 174.700 0.166 0.000 0.984 258 T CA 0.103 62.267 62.100 0.107 0.000 0.972 258 T CB 0.911 69.841 68.868 0.104 0.000 1.039 258 T HN 0.905 nan 8.240 nan 0.000 0.530 259 T N -1.536 113.042 114.554 0.041 0.000 2.821 259 T HA -0.099 4.250 4.350 -0.000 0.000 0.267 259 T C 1.330 176.154 174.700 0.206 0.000 1.046 259 T CA 1.238 63.334 62.100 -0.008 0.000 1.139 259 T CB -0.694 68.224 68.868 0.083 0.000 0.871 259 T HN 0.594 nan 8.240 nan 0.000 0.454 260 D N 1.794 122.367 120.400 0.289 0.000 2.104 260 D HA -0.089 4.551 4.640 -0.000 0.000 0.194 260 D C 2.203 178.677 176.300 0.290 0.000 0.994 260 D CA 1.304 55.521 54.000 0.363 0.000 0.830 260 D CB -0.338 40.610 40.800 0.247 0.000 0.959 260 D HN 0.630 nan 8.370 nan 0.000 0.452 261 E N -0.240 120.081 120.200 0.202 0.000 2.265 261 E HA -0.146 4.204 4.350 -0.000 0.000 0.196 261 E C 1.892 178.493 176.600 0.001 0.000 0.996 261 E CA 0.196 56.654 56.400 0.096 0.000 0.832 261 E CB -0.068 29.673 29.700 0.069 0.000 0.756 261 E HN 0.459 nan 8.360 nan 0.000 0.491 262 W N 0.583 121.800 121.300 -0.139 0.000 2.354 262 W HA -0.210 4.450 4.660 -0.000 0.000 0.315 262 W C 1.086 177.529 176.519 -0.127 0.000 1.206 262 W CA 1.300 58.486 57.345 -0.265 0.000 1.290 262 W CB -0.673 28.536 29.460 -0.419 0.000 1.152 262 W HN 0.141 nan 8.180 nan 0.000 0.489 263 W N 0.540 122.064 121.300 0.374 0.000 2.379 263 W HA -0.179 4.481 4.660 -0.000 0.000 0.307 263 W C 2.517 179.080 176.519 0.074 0.000 1.200 263 W CA 1.089 58.579 57.345 0.241 0.000 1.297 263 W CB -1.156 28.475 29.460 0.286 0.000 1.140 263 W HN -0.372 nan 8.180 nan 0.000 0.507 264 V N 0.626 120.713 119.914 0.288 0.000 2.287 264 V HA -0.341 3.779 4.120 -0.000 0.000 0.248 264 V C 2.138 178.276 176.094 0.072 0.000 1.053 264 V CA 2.479 64.872 62.300 0.156 0.000 1.027 264 V CB -1.364 30.533 31.823 0.122 0.000 0.646 264 V HN 0.238 nan 8.190 nan 0.000 0.447 265 T N 0.452 114.998 114.554 -0.014 0.000 2.684 265 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 265 T C 1.844 176.499 174.700 -0.075 0.000 1.036 265 T CA 1.701 63.753 62.100 -0.079 0.000 1.148 265 T CB -0.301 68.438 68.868 -0.215 0.000 0.863 265 T HN 0.322 nan 8.240 nan 0.000 0.436 266 L N 0.326 121.472 121.223 -0.129 0.000 2.109 266 L HA -0.021 4.319 4.340 -0.000 0.000 0.207 266 L C 2.655 179.557 176.870 0.053 0.000 1.086 266 L CA 0.996 55.787 54.840 -0.082 0.000 0.760 266 L CB -0.484 41.500 42.059 -0.124 0.000 0.910 266 L HN 0.159 nan 8.230 nan 0.000 0.437 267 K N 1.151 121.617 120.400 0.109 0.000 2.009 267 K HA -0.183 4.137 4.320 -0.000 0.000 0.210 267 K C 2.033 178.716 176.600 0.139 0.000 1.049 267 K CA 1.656 58.019 56.287 0.126 0.000 0.929 267 K CB -0.083 32.493 32.500 0.127 0.000 0.714 267 K HN 0.085 nan 8.250 nan 0.000 0.440 268 K N -0.334 120.147 120.400 0.135 0.000 2.097 268 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 268 K C 2.100 178.906 176.600 0.343 0.000 1.049 268 K CA 1.139 57.557 56.287 0.218 0.000 0.933 268 K CB -0.212 32.389 32.500 0.169 0.000 0.717 268 K HN 0.252 nan 8.250 nan 0.000 0.442 269 A N 1.515 124.459 122.820 0.206 0.000 1.902 269 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 269 A C 2.037 179.734 177.584 0.188 0.000 1.181 269 A CA 1.212 53.368 52.037 0.199 0.000 0.623 269 A CB -0.572 18.466 19.000 0.065 0.000 0.818 269 A HN 0.173 nan 8.150 nan 0.000 0.443 270 L N -1.593 119.715 121.223 0.141 0.000 2.376 270 L HA 0.002 4.342 4.340 -0.000 0.000 0.219 270 L C 1.445 178.390 176.870 0.125 0.000 1.133 270 L CA -0.219 54.675 54.840 0.091 0.000 0.816 270 L CB -0.564 41.546 42.059 0.086 0.000 0.933 270 L HN 0.434 nan 8.230 nan 0.000 0.449 274 R N 1.041 121.402 120.500 -0.231 0.000 2.091 274 R HA -0.046 4.293 4.340 -0.000 0.000 0.238 274 R C 2.077 178.176 176.300 -0.336 0.000 1.136 274 R CA 1.544 57.492 56.100 -0.254 0.000 0.959 274 R CB -0.307 29.854 30.300 -0.232 0.000 0.856 274 R HN 0.296 nan 8.270 nan 0.000 0.437 275 L N -0.035 120.870 121.223 -0.531 0.000 2.017 275 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 275 L C 2.496 179.327 176.870 -0.065 0.000 1.073 275 L CA 1.095 55.749 54.840 -0.310 0.000 0.745 275 L CB -0.434 41.359 42.059 -0.443 0.000 0.894 275 L HN 0.088 nan 8.230 nan 0.000 0.432 276 V N -0.515 119.285 119.914 -0.189 0.000 2.343 276 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 276 V C 2.571 178.534 176.094 -0.217 0.000 1.051 276 V CA 2.336 64.505 62.300 -0.218 0.000 1.036 276 V CB -0.743 30.813 31.823 -0.445 0.000 0.654 276 V HN 0.494 nan 8.190 nan 0.000 0.451 277 T N -0.353 114.059 114.554 -0.238 0.000 2.684 277 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 277 T C 1.937 176.596 174.700 -0.069 0.000 1.036 277 T CA 1.607 63.667 62.100 -0.065 0.000 1.148 277 T CB -0.195 68.674 68.868 0.002 0.000 0.863 277 T HN 0.471 nan 8.240 nan 0.000 0.436 278 K N -0.139 120.181 120.400 -0.134 0.000 2.116 278 K HA -0.024 4.296 4.320 -0.000 0.000 0.203 278 K C 2.335 178.815 176.600 -0.201 0.000 1.052 278 K CA 0.830 56.955 56.287 -0.270 0.000 0.952 278 K CB -0.167 32.006 32.500 -0.545 0.000 0.729 278 K HN 0.452 nan 8.250 nan 0.000 0.446 279 H N 0.398 119.510 119.070 0.070 0.000 2.389 279 H HA -0.002 4.554 4.556 -0.000 0.000 0.299 279 H C 2.229 177.591 175.328 0.057 0.000 1.081 279 H CA 1.204 57.328 56.048 0.126 0.000 1.345 279 H CB 0.113 29.944 29.762 0.115 0.000 1.393 279 H HN 0.090 nan 8.280 nan 0.000 0.520 280 S N 0.619 116.393 115.700 0.124 0.000 2.382 280 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 280 S C 2.475 177.111 174.600 0.060 0.000 1.027 280 S CA 0.801 59.053 58.200 0.087 0.000 0.991 280 S CB -0.220 63.025 63.200 0.075 0.000 0.823 280 S HN 0.525 nan 8.310 nan 0.000 0.469 281 A N 1.336 124.167 122.820 0.017 0.000 1.908 281 A HA 0.004 4.324 4.320 -0.000 0.000 0.218 281 A C 1.199 178.779 177.584 -0.005 0.000 1.181 281 A CA 0.881 52.908 52.037 -0.016 0.000 0.627 281 A CB -0.646 18.314 19.000 -0.068 0.000 0.818 281 A HN 0.437 nan 8.150 nan 0.000 0.445 285 V N 1.052 120.892 119.914 -0.122 0.000 2.332 285 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 285 V C 1.831 177.670 176.094 -0.425 0.000 1.055 285 V CA 1.796 63.898 62.300 -0.331 0.000 1.038 285 V CB -0.513 30.991 31.823 -0.532 0.000 0.651 285 V HN 0.243 nan 8.190 nan 0.000 0.450 286 Y N -1.177 119.122 120.300 -0.002 0.000 2.497 286 Y HA 0.279 4.828 4.550 -0.000 0.000 0.265 286 Y C 0.953 176.845 175.900 -0.013 0.000 1.111 286 Y CA 0.220 58.316 58.100 -0.008 0.000 1.288 286 Y CB 0.401 38.857 38.460 -0.008 0.000 1.082 286 Y HN 0.309 nan 8.280 nan 0.000 0.536 287 D N -0.129 120.332 120.400 0.102 0.000 2.846 287 D HA 0.174 4.813 4.640 -0.000 0.000 0.279 287 D C -2.243 174.077 176.300 0.034 0.000 1.222 287 D CA -1.945 52.093 54.000 0.063 0.000 0.769 287 D CB 0.799 41.645 40.800 0.075 0.000 1.299 287 D HN -0.110 nan 8.370 nan 0.000 0.537 288 P HA -0.068 nan 4.420 nan 0.000 0.218 288 P C 0.519 177.825 177.300 0.010 0.000 1.149 288 P CA 0.776 63.876 63.100 0.001 0.000 0.817 288 P CB 0.473 32.164 31.700 -0.015 0.000 0.785 289 D N 0.297 120.704 120.400 0.012 0.000 2.371 289 D HA -0.030 4.610 4.640 -0.000 0.000 0.221 289 D C 0.541 176.858 176.300 0.030 0.000 0.986 289 D CA 0.377 54.386 54.000 0.016 0.000 0.899 289 D CB -0.381 40.424 40.800 0.010 0.000 0.902 289 D HN 0.217 nan 8.370 nan 0.000 0.530 290 K N -0.322 120.100 120.400 0.038 0.000 3.117 290 K HA -0.270 4.050 4.320 -0.000 0.000 0.269 290 K C 1.129 177.771 176.600 0.070 0.000 1.098 290 K CA 0.354 56.673 56.287 0.054 0.000 0.785 290 K CB -1.272 31.260 32.500 0.054 0.000 1.242 290 K HN 0.159 nan 8.250 nan 0.000 0.491 291 R N 1.089 121.625 120.500 0.060 0.000 2.081 291 R HA -0.030 4.310 4.340 -0.000 0.000 0.235 291 R C 0.737 177.125 176.300 0.146 0.000 1.131 291 R CA 1.182 57.327 56.100 0.075 0.000 0.960 291 R CB 0.089 30.389 30.300 -0.001 0.000 0.856 291 R HN 0.330 nan 8.270 nan 0.000 0.436 292 I N 2.776 123.414 120.570 0.114 0.000 2.352 292 I HA 0.020 4.190 4.170 -0.000 0.000 0.290 292 I C -0.498 175.702 176.117 0.137 0.000 1.036 292 I CA -0.593 60.795 61.300 0.147 0.000 1.336 292 I CB 1.080 39.129 38.000 0.082 0.000 1.407 292 I HN 0.092 nan 8.210 nan 0.000 0.497 293 D N 6.119 126.617 120.400 0.163 0.000 2.414 293 D HA 0.146 4.786 4.640 -0.000 0.000 0.242 293 D C -0.266 176.071 176.300 0.060 0.000 1.129 293 D CA -0.218 53.843 54.000 0.102 0.000 0.885 293 D CB 1.112 41.977 40.800 0.108 0.000 1.198 293 D HN 0.136 nan 8.370 nan 0.000 0.437 294 L N 2.642 123.879 121.223 0.024 0.000 2.276 294 L HA 0.391 4.731 4.340 -0.000 0.000 0.286 294 L C -0.730 176.099 176.870 -0.068 0.000 1.061 294 L CA -0.145 54.688 54.840 -0.012 0.000 0.807 294 L CB 0.479 42.529 42.059 -0.015 0.000 1.177 294 L HN 0.309 nan 8.230 nan 0.000 0.429 295 I N 5.989 126.521 120.570 -0.064 0.000 2.439 295 I HA 0.245 4.415 4.170 -0.000 0.000 0.283 295 I C -0.609 175.464 176.117 -0.073 0.000 1.023 295 I CA -0.700 60.547 61.300 -0.090 0.000 1.100 295 I CB 1.796 39.773 38.000 -0.039 0.000 1.238 295 I HN 0.211 nan 8.210 nan 0.000 0.445 296 V N 5.431 125.241 119.914 -0.172 0.000 2.174 296 V HA 0.053 4.172 4.120 -0.000 0.000 0.259 296 V C 0.586 176.693 176.094 0.022 0.000 1.261 296 V CA -0.340 61.901 62.300 -0.098 0.000 1.137 296 V CB -0.147 31.506 31.823 -0.284 0.000 1.290 296 V HN 0.779 nan 8.190 nan 0.000 0.486 297 D N 1.341 121.775 120.400 0.056 0.000 2.328 297 D HA 0.029 4.669 4.640 -0.000 0.000 0.226 297 D C 0.285 176.403 176.300 -0.303 0.000 1.066 297 D CA 0.048 54.029 54.000 -0.032 0.000 0.861 297 D CB 0.341 41.167 40.800 0.043 0.000 0.912 297 D HN 0.617 nan 8.370 nan 0.000 0.521 298 E N 0.409 120.405 120.200 -0.339 0.000 2.287 298 E HA 0.389 4.739 4.350 -0.000 0.000 0.274 298 E C -0.999 175.421 176.600 -0.300 0.000 0.896 298 E CA -0.948 55.168 56.400 -0.472 0.000 0.788 298 E CB 1.925 31.101 29.700 -0.873 0.000 1.244 298 E HN 0.297 nan 8.360 nan 0.000 0.408 299 W N 1.673 122.730 121.300 -0.405 0.000 3.005 299 W HA 0.769 5.429 4.660 -0.000 0.000 0.343 299 W C -0.503 175.901 176.519 -0.191 0.000 1.243 299 W CA -0.493 56.643 57.345 -0.348 0.000 1.186 299 W CB 0.648 30.091 29.460 -0.030 0.000 1.453 299 W HN 0.840 nan 8.180 nan 0.000 0.575 300 G N 0.835 109.649 108.800 0.024 0.000 2.353 300 G HA2 0.373 4.333 3.960 -0.000 0.000 0.424 300 G HA3 0.373 4.333 3.960 -0.000 0.000 0.424 300 G C -0.721 174.194 174.900 0.024 0.000 1.320 300 G CA -0.277 44.758 45.100 -0.108 0.000 0.995 300 G HN 1.189 nan 8.290 nan 0.000 0.580 301 T N -2.011 112.467 114.554 -0.126 0.000 2.913 301 T HA 0.578 4.928 4.350 -0.000 0.000 0.287 301 T C -0.658 173.840 174.700 -0.337 0.000 1.008 301 T CA -0.272 61.652 62.100 -0.294 0.000 1.067 301 T CB 2.004 70.529 68.868 -0.573 0.000 0.996 301 T HN 1.297 nan 8.240 nan 0.000 0.513 302 W N 3.850 124.780 121.300 -0.615 0.000 2.687 302 W HA 0.500 5.160 4.660 -0.000 0.000 0.328 302 W C -2.339 173.822 176.519 -0.596 0.000 1.012 302 W CA -2.074 54.940 57.345 -0.551 0.000 1.262 302 W CB 0.765 29.962 29.460 -0.439 0.000 1.331 302 W HN 0.758 nan 8.180 nan 0.000 0.433 303 Y N 2.314 122.709 120.300 0.158 0.000 2.654 303 Y HA 0.365 4.915 4.550 -0.000 0.000 0.327 303 Y C 1.013 176.937 175.900 0.041 0.000 1.122 303 Y CA -0.857 57.260 58.100 0.028 0.000 1.227 303 Y CB 0.447 38.884 38.460 -0.038 0.000 1.370 303 Y HN 0.138 nan 8.280 nan 0.000 0.528 304 D N 0.808 121.297 120.400 0.149 0.000 2.423 304 D HA 0.186 4.825 4.640 -0.000 0.000 0.238 304 D C 0.055 176.412 176.300 0.096 0.000 1.142 304 D CA 0.069 54.107 54.000 0.064 0.000 0.884 304 D CB 0.880 41.690 40.800 0.016 0.000 1.199 304 D HN 0.392 nan 8.370 nan 0.000 0.438 305 V N -0.602 119.362 119.914 0.083 0.000 3.237 305 V HA 0.102 4.222 4.120 -0.000 0.000 0.305 305 V C 0.656 176.800 176.094 0.083 0.000 1.096 305 V CA -0.758 61.600 62.300 0.096 0.000 1.130 305 V CB 0.530 32.424 31.823 0.119 0.000 1.048 305 V HN 0.277 nan 8.190 nan 0.000 0.484 306 E N 2.319 122.590 120.200 0.119 0.000 2.481 306 E HA 0.171 4.521 4.350 -0.000 0.000 0.263 306 E C -2.312 174.332 176.600 0.073 0.000 0.992 306 E CA -1.641 54.822 56.400 0.105 0.000 0.938 306 E CB -0.179 29.646 29.700 0.209 0.000 0.933 306 E HN 0.642 nan 8.360 nan 0.000 0.453 307 P HA 0.006 nan 4.420 nan 0.000 0.265 307 P C 0.722 178.028 177.300 0.010 0.000 1.193 307 P CA 1.053 64.163 63.100 0.017 0.000 0.765 307 P CB 0.460 32.164 31.700 0.006 0.000 0.823 308 G N 1.506 110.302 108.800 -0.007 0.000 2.179 308 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.260 308 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.260 308 G C 0.388 175.262 174.900 -0.044 0.000 0.977 308 G CA 0.489 45.571 45.100 -0.029 0.000 0.641 308 G HN 0.814 nan 8.290 nan 0.000 0.533 309 T N -1.610 112.933 114.554 -0.018 0.000 2.902 309 T HA 0.566 4.916 4.350 -0.000 0.000 0.280 309 T C 0.234 174.904 174.700 -0.050 0.000 0.992 309 T CA -0.092 61.985 62.100 -0.038 0.000 1.015 309 T CB 1.746 70.629 68.868 0.024 0.000 1.044 309 T HN 0.359 nan 8.240 nan 0.000 0.520 310 N N 2.710 121.333 118.700 -0.128 0.000 2.427 310 N HA 0.143 4.883 4.740 -0.000 0.000 0.269 310 N C -1.180 174.337 175.510 0.011 0.000 1.235 310 N CA -2.213 50.752 53.050 -0.142 0.000 0.934 310 N CB 0.680 38.894 38.487 -0.455 0.000 1.121 310 N HN 0.385 nan 8.380 nan 0.000 0.480 311 P HA -0.108 nan 4.420 nan 0.000 0.218 311 P C 1.047 178.453 177.300 0.177 0.000 1.146 311 P CA 1.043 64.209 63.100 0.110 0.000 0.813 311 P CB 0.029 31.783 31.700 0.090 0.000 0.778 312 G N -1.523 107.402 108.800 0.208 0.000 2.534 312 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.217 312 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.217 312 G C 0.973 176.116 174.900 0.404 0.000 1.128 312 G CA 0.002 45.277 45.100 0.291 0.000 0.784 312 G HN 0.131 nan 8.290 nan 0.000 0.542 313 F N 0.024 120.001 119.950 0.046 0.000 2.743 313 F HA 0.361 4.888 4.527 -0.000 0.000 0.297 313 F C 1.595 177.396 175.800 0.001 0.000 1.131 313 F CA -0.962 57.048 58.000 0.018 0.000 1.426 313 F CB -0.097 38.917 39.000 0.024 0.000 1.116 313 F HN -0.063 nan 8.300 nan 0.000 0.583 314 L N -1.186 120.137 121.223 0.168 0.000 4.001 314 L HA -0.327 4.013 4.340 -0.000 0.000 0.413 314 L C -0.367 176.498 176.870 -0.007 0.000 1.185 314 L CA 0.141 54.974 54.840 -0.012 0.000 0.963 314 L CB -2.440 39.477 42.059 -0.236 0.000 1.976 314 L HN 0.135 nan 8.230 nan 0.000 0.939 315 Y N 3.331 123.637 120.300 0.011 0.000 2.480 315 Y HA 0.359 4.909 4.550 -0.000 0.000 0.341 315 Y C 0.814 176.716 175.900 0.004 0.000 1.031 315 Y CA 0.194 58.298 58.100 0.007 0.000 1.295 315 Y CB 0.526 39.026 38.460 0.067 0.000 1.162 315 Y HN 0.299 nan 8.280 nan 0.000 0.523 316 Q N 4.137 123.671 119.800 -0.444 0.000 2.421 316 Q HA 0.406 4.746 4.340 -0.000 0.000 0.280 316 Q C -1.288 174.465 176.000 -0.413 0.000 1.085 316 Q CA -1.365 54.275 55.803 -0.272 0.000 0.807 316 Q CB 2.058 30.777 28.738 -0.031 0.000 1.405 316 Q HN 0.620 nan 8.270 nan 0.000 0.419 317 Q N 1.364 121.008 119.800 -0.260 0.000 2.526 317 Q HA 0.302 4.642 4.340 -0.000 0.000 0.207 317 Q C -1.146 174.772 176.000 -0.137 0.000 1.078 317 Q CA 0.070 55.727 55.803 -0.244 0.000 1.041 317 Q CB 0.809 29.395 28.738 -0.252 0.000 1.228 317 Q HN 0.729 nan 8.270 nan 0.000 0.603 318 N N 0.356 118.997 118.700 -0.098 0.000 2.500 318 N HA 0.315 5.055 4.740 -0.000 0.000 0.291 318 N C -1.753 173.790 175.510 0.056 0.000 1.092 318 N CA -0.013 53.029 53.050 -0.013 0.000 0.890 318 N CB 1.230 39.691 38.487 -0.044 0.000 1.466 318 N HN 0.703 nan 8.380 nan 0.000 0.507 319 S N 2.514 118.272 115.700 0.096 0.000 2.823 319 S HA 0.423 4.892 4.470 -0.000 0.000 0.316 319 S C 1.221 175.923 174.600 0.170 0.000 1.116 319 S CA -0.593 57.707 58.200 0.166 0.000 0.911 319 S CB 0.824 64.154 63.200 0.216 0.000 1.276 319 S HN 0.293 nan 8.310 nan 0.000 0.565 320 I N 1.372 122.074 120.570 0.219 0.000 2.361 320 I HA 0.000 4.170 4.170 -0.000 0.000 0.251 320 I C 2.659 178.903 176.117 0.211 0.000 1.133 320 I CA 1.285 62.721 61.300 0.227 0.000 1.413 320 I CB -0.590 37.568 38.000 0.265 0.000 1.073 320 I HN 0.824 nan 8.210 nan 0.000 0.424 321 R N 0.359 120.990 120.500 0.218 0.000 2.105 321 R HA -0.193 4.147 4.340 -0.000 0.000 0.239 321 R C 1.789 178.003 176.300 -0.144 0.000 1.135 321 R CA 2.050 58.054 56.100 -0.161 0.000 0.967 321 R CB -0.385 29.775 30.300 -0.234 0.000 0.861 321 R HN 0.444 nan 8.270 nan 0.000 0.442 322 D N 0.050 120.448 120.400 -0.004 0.000 2.149 322 D HA -0.105 4.535 4.640 -0.000 0.000 0.201 322 D C 1.775 178.079 176.300 0.006 0.000 0.972 322 D CA 1.230 55.236 54.000 0.011 0.000 0.835 322 D CB -0.085 40.748 40.800 0.055 0.000 0.966 322 D HN 0.387 nan 8.370 nan 0.000 0.476 323 A N 1.311 124.148 122.820 0.029 0.000 1.908 323 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 323 A C 2.382 179.935 177.584 -0.052 0.000 1.181 323 A CA 1.045 53.088 52.037 0.010 0.000 0.627 323 A CB -0.849 18.185 19.000 0.056 0.000 0.818 323 A HN 0.163 nan 8.150 nan 0.000 0.445 324 L N -0.742 120.452 121.223 -0.047 0.000 2.056 324 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 324 L C 2.557 179.360 176.870 -0.112 0.000 1.078 324 L CA 1.031 55.822 54.840 -0.082 0.000 0.749 324 L CB -0.439 41.562 42.059 -0.096 0.000 0.901 324 L HN 0.253 nan 8.230 nan 0.000 0.433 325 V N -0.024 119.828 119.914 -0.103 0.000 2.332 325 V HA -0.338 3.781 4.120 -0.000 0.000 0.248 325 V C 2.702 178.806 176.094 0.017 0.000 1.055 325 V CA 1.926 64.198 62.300 -0.045 0.000 1.038 325 V CB -0.929 30.888 31.823 -0.009 0.000 0.651 325 V HN 0.507 nan 8.190 nan 0.000 0.450 326 A N 0.355 123.199 122.820 0.040 0.000 1.873 326 A HA -0.055 4.265 4.320 -0.000 0.000 0.215 326 A C 2.437 179.903 177.584 -0.198 0.000 1.186 326 A CA 1.901 53.997 52.037 0.099 0.000 0.616 326 A CB -1.281 17.766 19.000 0.079 0.000 0.823 326 A HN 0.516 nan 8.150 nan 0.000 0.442 327 G N -0.465 108.146 108.800 -0.316 0.000 2.421 327 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.216 327 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.216 327 G C 1.770 176.406 174.900 -0.439 0.000 1.171 327 G CA 1.587 46.411 45.100 -0.460 0.000 0.775 327 G HN 0.810 nan 8.290 nan 0.000 0.543 328 A N 0.115 122.750 122.820 -0.309 0.000 1.902 328 A HA -0.000 4.320 4.320 -0.000 0.000 0.217 328 A C 2.537 179.932 177.584 -0.315 0.000 1.181 328 A CA 2.461 54.350 52.037 -0.247 0.000 0.623 328 A CB -0.902 18.023 19.000 -0.126 0.000 0.818 328 A HN 0.306 nan 8.150 nan 0.000 0.443 329 T N 0.476 114.783 114.554 -0.412 0.000 2.737 329 T HA -0.067 4.283 4.350 -0.000 0.000 0.265 329 T C 1.811 175.841 174.700 -1.117 0.000 1.038 329 T CA 1.462 63.097 62.100 -0.775 0.000 1.144 329 T CB -0.396 67.929 68.868 -0.905 0.000 0.866 329 T HN 0.353 nan 8.240 nan 0.000 0.434 330 L N 0.089 120.828 121.223 -0.807 0.000 2.079 330 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 330 L C 2.529 179.021 176.870 -0.629 0.000 1.081 330 L CA 1.524 55.974 54.840 -0.650 0.000 0.752 330 L CB -0.685 41.141 42.059 -0.387 0.000 0.896 330 L HN 0.471 nan 8.230 nan 0.000 0.433 331 H N -0.514 118.200 119.070 -0.594 0.000 2.352 331 H HA -0.173 4.383 4.556 -0.000 0.000 0.299 331 H C 2.443 177.574 175.328 -0.327 0.000 1.097 331 H CA 1.302 57.035 56.048 -0.525 0.000 1.311 331 H CB 0.068 29.681 29.762 -0.247 0.000 1.377 331 H HN 0.288 nan 8.280 nan 0.000 0.504 332 I N 0.408 120.845 120.570 -0.221 0.000 2.208 332 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 332 I C 1.778 177.915 176.117 0.034 0.000 1.097 332 I CA 1.033 62.251 61.300 -0.136 0.000 1.363 332 I CB -0.199 37.628 38.000 -0.288 0.000 1.051 332 I HN 0.158 nan 8.210 nan 0.000 0.413 333 F N 0.470 120.352 119.950 -0.114 0.000 2.134 333 F HA -0.195 4.332 4.527 -0.000 0.000 0.299 333 F C 2.550 178.400 175.800 0.083 0.000 1.097 333 F CA 1.247 59.211 58.000 -0.061 0.000 1.264 333 F CB -1.610 37.276 39.000 -0.190 0.000 1.001 333 F HN 0.177 nan 8.300 nan 0.000 0.479 334 H N -0.516 118.620 119.070 0.111 0.000 2.289 334 H HA -0.223 4.332 4.556 -0.000 0.000 0.296 334 H C 2.452 177.777 175.328 -0.005 0.000 1.091 334 H CA 1.382 57.441 56.048 0.019 0.000 1.274 334 H CB -0.191 29.515 29.762 -0.094 0.000 1.364 334 H HN 0.107 nan 8.280 nan 0.000 0.490 335 R N 0.560 121.125 120.500 0.109 0.000 2.152 335 R HA -0.116 4.224 4.340 -0.000 0.000 0.232 335 R C 0.656 176.841 176.300 -0.191 0.000 1.117 335 R CA 1.208 57.268 56.100 -0.067 0.000 0.981 335 R CB 0.082 30.306 30.300 -0.126 0.000 0.870 335 R HN 0.523 nan 8.270 nan 0.000 0.451 336 H N -0.754 118.357 119.070 0.067 0.000 2.488 336 H HA 0.070 4.626 4.556 -0.000 0.000 0.294 336 H C 1.428 176.788 175.328 0.052 0.000 1.088 336 H CA 0.210 56.291 56.048 0.056 0.000 1.086 336 H CB 0.363 30.163 29.762 0.064 0.000 1.569 336 H HN 0.410 nan 8.280 nan 0.000 0.548 337 C N 0.131 119.502 119.300 0.118 0.000 2.511 337 C HA -0.037 4.423 4.460 -0.000 0.000 0.277 337 C C 1.989 177.013 174.990 0.057 0.000 1.451 337 C CA 0.179 59.247 59.018 0.084 0.000 1.735 337 C CB -0.632 27.145 27.740 0.061 0.000 1.704 337 C HN 0.502 nan 8.230 nan 0.000 0.571 338 D N 1.043 121.476 120.400 0.055 0.000 2.312 338 D HA -0.160 4.480 4.640 -0.000 0.000 0.211 338 D C 2.009 178.346 176.300 0.061 0.000 0.964 338 D CA 1.108 55.136 54.000 0.048 0.000 0.877 338 D CB -0.280 40.542 40.800 0.037 0.000 0.924 338 D HN 0.601 nan 8.370 nan 0.000 0.515 339 R N 0.093 120.639 120.500 0.076 0.000 2.562 339 R HA 0.176 4.516 4.340 -0.000 0.000 0.191 339 R C -0.222 176.103 176.300 0.041 0.000 0.835 339 R CA 0.136 56.278 56.100 0.069 0.000 1.036 339 R CB 0.208 30.558 30.300 0.084 0.000 1.437 339 R HN -0.083 nan 8.270 nan 0.000 0.654 340 V N 3.719 123.656 119.914 0.037 0.000 2.439 340 V HA 0.349 4.469 4.120 -0.000 0.000 0.271 340 V C 0.213 176.275 176.094 -0.054 0.000 1.040 340 V CA 0.175 62.448 62.300 -0.045 0.000 1.002 340 V CB 0.744 32.519 31.823 -0.079 0.000 1.000 340 V HN 0.265 nan 8.190 nan 0.000 0.477 344 N N 0.672 119.530 118.700 0.262 0.000 2.581 344 N HA 0.429 5.169 4.740 -0.000 0.000 0.279 344 N C -0.826 174.666 175.510 -0.030 0.000 1.124 344 N CA -0.267 52.862 53.050 0.131 0.000 0.833 344 N CB 1.816 40.347 38.487 0.074 0.000 1.338 344 N HN 0.773 nan 8.380 nan 0.000 0.533 345 I N 1.412 121.779 120.570 -0.338 0.000 2.648 345 I HA 0.189 4.359 4.170 -0.000 0.000 0.284 345 I C 0.352 176.218 176.117 -0.419 0.000 1.153 345 I CA -0.201 60.534 61.300 -0.943 0.000 1.426 345 I CB 0.558 37.924 38.000 -1.057 0.000 1.381 345 I HN 0.658 nan 8.210 nan 0.000 0.571 346 A N 8.105 130.706 122.820 -0.365 0.000 2.655 346 A HA 0.305 4.625 4.320 -0.000 0.000 0.297 346 A C -0.182 177.245 177.584 -0.263 0.000 1.461 346 A CA 0.084 52.081 52.037 -0.067 0.000 1.146 346 A CB -0.391 18.716 19.000 0.178 0.000 1.108 346 A HN 0.813 nan 8.150 nan 0.000 0.550 347 Q N 0.633 120.242 119.800 -0.318 0.000 1.944 347 Q HA -0.124 4.216 4.340 -0.000 0.000 0.260 347 Q C -0.148 175.679 176.000 -0.288 0.000 0.624 347 Q CA -0.041 55.508 55.803 -0.424 0.000 0.411 347 Q CB -1.049 27.364 28.738 -0.542 0.000 0.429 347 Q HN 0.692 nan 8.270 nan 0.000 0.323 348 L N 2.603 123.677 121.223 -0.249 0.000 2.012 348 L HA -0.036 4.304 4.340 -0.000 0.000 0.210 348 L C 0.478 177.234 176.870 -0.191 0.000 1.073 348 L CA 1.997 56.724 54.840 -0.189 0.000 0.748 348 L CB 0.522 42.477 42.059 -0.173 0.000 0.891 348 L HN 0.469 nan 8.230 nan 0.000 0.431 349 V N 0.317 120.112 119.914 -0.198 0.000 2.686 349 V HA 0.374 4.494 4.120 -0.000 0.000 0.306 349 V C -0.051 175.970 176.094 -0.121 0.000 1.065 349 V CA -0.826 61.387 62.300 -0.145 0.000 0.894 349 V CB 1.562 33.305 31.823 -0.133 0.000 1.004 349 V HN 0.358 nan 8.190 nan 0.000 0.424 350 N N 1.397 120.072 118.700 -0.042 0.000 2.778 350 N HA -0.156 4.584 4.740 -0.000 0.000 0.249 350 N C -0.427 175.092 175.510 0.016 0.000 1.069 350 N CA 1.187 54.296 53.050 0.099 0.000 0.831 350 N CB -0.623 37.959 38.487 0.158 0.000 1.142 350 N HN 0.548 nan 8.380 nan 0.000 0.573 351 V N 0.830 120.648 119.914 -0.159 0.000 2.612 351 V HA 0.455 4.575 4.120 -0.000 0.000 0.301 351 V C 1.091 176.987 176.094 -0.330 0.000 1.059 351 V CA -0.694 61.462 62.300 -0.240 0.000 0.886 351 V CB 1.921 33.560 31.823 -0.306 0.000 1.007 351 V HN 0.251 nan 8.190 nan 0.000 0.426 352 L N 1.815 122.808 121.223 -0.383 0.000 6.963 352 L HA -0.270 4.069 4.340 -0.000 0.000 0.053 352 L C 0.988 177.664 176.870 -0.323 0.000 1.740 352 L CA 1.085 55.661 54.840 -0.440 0.000 1.613 352 L CB -0.464 41.267 42.059 -0.547 0.000 2.780 352 L HN 0.776 nan 8.230 nan 0.000 1.092 353 Q N 0.980 120.599 119.800 -0.303 0.000 3.027 353 Q HA 0.237 4.576 4.340 -0.000 0.000 0.260 353 Q C -0.748 175.113 176.000 -0.232 0.000 1.379 353 Q CA -0.178 55.480 55.803 -0.242 0.000 1.038 353 Q CB 0.387 28.978 28.738 -0.245 0.000 1.578 353 Q HN 0.431 nan 8.270 nan 0.000 0.571 354 S N 0.266 115.839 115.700 -0.211 0.000 2.601 354 S HA 0.057 4.526 4.470 -0.000 0.000 0.271 354 S C 1.287 175.805 174.600 -0.136 0.000 1.305 354 S CA -0.503 57.585 58.200 -0.188 0.000 1.022 354 S CB 1.598 64.691 63.200 -0.178 0.000 0.940 354 S HN 0.552 nan 8.310 nan 0.000 0.525 355 V N -0.309 119.531 119.914 -0.124 0.000 3.306 355 V HA 0.399 4.519 4.120 -0.000 0.000 0.264 355 V C 0.259 176.328 176.094 -0.042 0.000 1.149 355 V CA 0.833 63.113 62.300 -0.034 0.000 1.143 355 V CB -0.814 30.996 31.823 -0.021 0.000 0.767 355 V HN 0.654 nan 8.190 nan 0.000 0.476 356 I N 0.540 121.054 120.570 -0.094 0.000 2.619 356 I HA 0.497 4.667 4.170 -0.000 0.000 0.292 356 I C -1.031 175.056 176.117 -0.051 0.000 1.100 356 I CA -0.539 60.700 61.300 -0.101 0.000 1.043 356 I CB 2.570 40.504 38.000 -0.110 0.000 1.239 356 I HN 0.017 nan 8.210 nan 0.000 0.420 357 L N 4.757 125.981 121.223 0.002 0.000 2.346 357 L HA 0.699 5.039 4.340 -0.000 0.000 0.274 357 L C -0.071 177.007 176.870 0.347 0.000 1.007 357 L CA -0.557 54.384 54.840 0.168 0.000 0.818 357 L CB 2.222 44.360 42.059 0.131 0.000 1.284 357 L HN 0.619 nan 8.230 nan 0.000 0.424 358 T N -1.446 113.317 114.554 0.348 0.000 2.930 358 T HA 0.567 4.917 4.350 -0.000 0.000 0.290 358 T C -0.687 173.946 174.700 -0.111 0.000 1.052 358 T CA -0.752 61.456 62.100 0.181 0.000 1.017 358 T CB 2.454 71.333 68.868 0.019 0.000 1.137 358 T HN 0.681 nan 8.240 nan 0.000 0.511 359 E N 0.526 120.431 120.200 -0.491 0.000 2.768 359 E HA 0.466 4.816 4.350 -0.000 0.000 0.290 359 E C 0.680 177.049 176.600 -0.386 0.000 1.100 359 E CA 0.040 56.051 56.400 -0.647 0.000 0.768 359 E CB 0.040 28.912 29.700 -1.380 0.000 1.501 359 E HN 1.300 nan 8.360 nan 0.000 0.384 360 G N 3.786 112.448 108.800 -0.230 0.000 2.583 360 G HA2 -0.405 3.554 3.960 -0.000 0.000 0.292 360 G HA3 -0.405 3.554 3.960 -0.000 0.000 0.292 360 G C 0.725 175.542 174.900 -0.138 0.000 1.203 360 G CA 0.469 45.474 45.100 -0.158 0.000 0.987 360 G HN 0.624 nan 8.290 nan 0.000 0.554 361 E N 2.049 122.180 120.200 -0.117 0.000 2.502 361 E HA 0.062 4.412 4.350 -0.000 0.000 0.194 361 E C 1.338 177.891 176.600 -0.078 0.000 1.062 361 E CA 0.487 56.835 56.400 -0.088 0.000 0.867 361 E CB 0.047 29.705 29.700 -0.070 0.000 0.888 361 E HN 0.670 nan 8.360 nan 0.000 0.510 365 L N 1.667 122.751 121.223 -0.232 0.000 2.264 365 L HA 0.705 5.045 4.340 -0.000 0.000 0.289 365 L C 0.702 177.413 176.870 -0.264 0.000 1.044 365 L CA -0.473 54.126 54.840 -0.402 0.000 0.807 365 L CB 1.605 43.261 42.059 -0.671 0.000 1.192 365 L HN 0.918 nan 8.230 nan 0.000 0.425 366 T N -0.307 114.138 114.554 -0.182 0.000 2.828 366 T HA 0.235 4.585 4.350 -0.000 0.000 0.290 366 T C -1.859 172.822 174.700 -0.032 0.000 1.019 366 T CA -1.659 60.395 62.100 -0.077 0.000 1.031 366 T CB 1.154 69.992 68.868 -0.050 0.000 1.001 366 T HN 0.304 nan 8.240 nan 0.000 0.531 367 P HA -0.089 nan 4.420 nan 0.000 0.216 367 P C 1.622 179.010 177.300 0.146 0.000 1.150 367 P CA 1.191 64.407 63.100 0.193 0.000 0.843 367 P CB -0.295 31.502 31.700 0.160 0.000 0.787 368 T N -1.573 113.041 114.554 0.101 0.000 2.684 368 T HA -0.232 4.118 4.350 -0.000 0.000 0.267 368 T C 1.577 176.407 174.700 0.218 0.000 1.036 368 T CA 1.335 63.520 62.100 0.141 0.000 1.148 368 T CB -1.203 67.718 68.868 0.088 0.000 0.863 368 T HN 0.127 nan 8.240 nan 0.000 0.436 369 Y N 1.750 122.037 120.300 -0.022 0.000 2.114 369 Y HA -0.318 4.232 4.550 -0.000 0.000 0.282 369 Y C 2.583 178.503 175.900 0.033 0.000 1.165 369 Y CA 1.844 59.910 58.100 -0.057 0.000 1.148 369 Y CB -0.389 37.917 38.460 -0.256 0.000 0.972 369 Y HN 0.355 nan 8.280 nan 0.000 0.504 370 H N -1.206 118.019 119.070 0.259 0.000 2.387 370 H HA -0.133 4.423 4.556 -0.000 0.000 0.299 370 H C 2.538 177.882 175.328 0.026 0.000 1.090 370 H CA 1.658 57.801 56.048 0.158 0.000 1.332 370 H CB -0.728 29.136 29.762 0.170 0.000 1.386 370 H HN 0.347 nan 8.280 nan 0.000 0.516 371 V N 0.783 120.747 119.914 0.083 0.000 2.295 371 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 371 V C 2.310 178.281 176.094 -0.206 0.000 1.049 371 V CA 1.685 63.854 62.300 -0.218 0.000 1.024 371 V CB -0.827 30.759 31.823 -0.396 0.000 0.648 371 V HN 0.169 nan 8.190 nan 0.000 0.447 372 F N 0.227 120.120 119.950 -0.096 0.000 2.126 372 F HA -0.103 4.423 4.527 -0.000 0.000 0.299 372 F C 1.627 177.416 175.800 -0.018 0.000 1.096 372 F CA 1.452 59.487 58.000 0.058 0.000 1.255 372 F CB -0.545 38.503 39.000 0.080 0.000 0.997 372 F HN 0.222 nan 8.300 nan 0.000 0.479 376 K N 1.313 121.647 120.400 -0.110 0.000 2.281 376 K HA -0.077 4.243 4.320 -0.000 0.000 0.203 376 K C 1.580 177.983 176.600 -0.328 0.000 1.046 376 K CA 1.866 57.987 56.287 -0.276 0.000 0.938 376 K CB -0.580 31.849 32.500 -0.120 0.000 0.737 376 K HN 0.254 nan 8.250 nan 0.000 0.458 377 V N -1.027 118.646 119.914 -0.402 0.000 2.720 377 V HA -0.171 3.949 4.120 -0.000 0.000 0.256 377 V C 1.708 177.489 176.094 -0.521 0.000 1.082 377 V CA 1.371 63.310 62.300 -0.602 0.000 1.101 377 V CB -0.966 30.163 31.823 -1.156 0.000 0.693 377 V HN 0.350 nan 8.190 nan 0.000 0.479 378 H N 0.277 119.151 119.070 -0.327 0.000 2.548 378 H HA 0.216 4.772 4.556 -0.000 0.000 0.268 378 H C 0.970 176.179 175.328 -0.199 0.000 0.975 378 H CA 0.288 56.192 56.048 -0.240 0.000 1.195 378 H CB -0.063 29.627 29.762 -0.121 0.000 1.397 378 H HN 0.624 nan 8.280 nan 0.000 0.572 379 Q N 1.546 121.246 119.800 -0.167 0.000 2.247 379 Q HA -0.059 4.281 4.340 -0.000 0.000 0.288 379 Q C -0.016 175.974 176.000 -0.016 0.000 1.079 379 Q CA 0.169 55.927 55.803 -0.074 0.000 0.932 379 Q CB 0.446 29.119 28.738 -0.109 0.000 1.133 379 Q HN 0.268 nan 8.270 nan 0.000 0.377 380 D N -0.401 120.017 120.400 0.030 0.000 3.039 380 D HA -0.201 4.439 4.640 -0.000 0.000 0.222 380 D C -0.419 175.882 176.300 0.002 0.000 1.179 380 D CA 1.343 55.355 54.000 0.020 0.000 0.880 380 D CB -0.894 39.918 40.800 0.020 0.000 1.115 380 D HN 0.655 nan 8.370 nan 0.000 0.416 381 A N 0.120 122.936 122.820 -0.008 0.000 2.304 381 A HA 0.414 4.733 4.320 -0.000 0.000 0.271 381 A C 0.508 178.080 177.584 -0.020 0.000 1.091 381 A CA -0.225 51.807 52.037 -0.008 0.000 0.812 381 A CB 0.693 19.697 19.000 0.006 0.000 1.056 381 A HN 0.087 nan 8.150 nan 0.000 0.489 382 E N 0.400 120.591 120.200 -0.015 0.000 2.223 382 E HA 0.244 4.593 4.350 -0.000 0.000 0.282 382 E C -0.815 175.759 176.600 -0.043 0.000 1.046 382 E CA -0.438 55.946 56.400 -0.026 0.000 0.857 382 E CB 1.015 30.703 29.700 -0.020 0.000 1.055 382 E HN 0.491 nan 8.360 nan 0.000 0.409 383 L N 5.007 126.194 121.223 -0.061 0.000 2.410 383 L HA 0.150 4.490 4.340 -0.000 0.000 0.273 383 L C -0.978 175.849 176.870 -0.071 0.000 1.152 383 L CA 0.327 55.117 54.840 -0.084 0.000 0.855 383 L CB 0.295 42.301 42.059 -0.088 0.000 1.129 383 L HN 0.451 nan 8.230 nan 0.000 0.463 384 L N 4.019 125.193 121.223 -0.083 0.000 2.325 384 L HA 0.311 4.651 4.340 -0.000 0.000 0.279 384 L C -0.051 176.746 176.870 -0.121 0.000 1.054 384 L CA -0.848 53.934 54.840 -0.098 0.000 0.804 384 L CB 1.307 43.303 42.059 -0.105 0.000 1.200 384 L HN 0.624 nan 8.230 nan 0.000 0.436 385 D N 1.952 122.270 120.400 -0.137 0.000 2.472 385 D HA 0.127 4.767 4.640 -0.000 0.000 0.248 385 D C -0.313 175.806 176.300 -0.302 0.000 1.174 385 D CA 0.300 54.198 54.000 -0.170 0.000 0.883 385 D CB 0.699 41.403 40.800 -0.159 0.000 1.149 385 D HN 0.592 nan 8.370 nan 0.000 0.488 386 T N 1.446 115.858 114.554 -0.237 0.000 2.893 386 T HA 0.565 4.914 4.350 -0.000 0.000 0.293 386 T C -0.989 173.658 174.700 -0.088 0.000 1.027 386 T CA -1.063 60.877 62.100 -0.266 0.000 0.988 386 T CB 0.793 69.576 68.868 -0.141 0.000 1.043 386 T HN 0.285 nan 8.240 nan 0.000 0.461 387 W N 2.173 123.458 121.300 -0.025 0.000 2.573 387 W HA 0.637 5.297 4.660 -0.000 0.000 0.326 387 W C 0.107 176.620 176.519 -0.011 0.000 1.049 387 W CA -0.867 56.467 57.345 -0.018 0.000 1.220 387 W CB 1.160 30.612 29.460 -0.013 0.000 1.373 387 W HN 1.029 nan 8.180 nan 0.000 0.507 388 E N 0.130 120.456 120.200 0.209 0.000 2.383 388 E HA 0.615 4.965 4.350 -0.000 0.000 0.275 388 E C -1.492 175.165 176.600 0.096 0.000 0.918 388 E CA -0.940 55.534 56.400 0.124 0.000 0.764 388 E CB 2.355 32.101 29.700 0.077 0.000 1.252 388 E HN 0.069 nan 8.360 nan 0.000 0.449 389 S N 1.493 117.240 115.700 0.080 0.000 2.746 389 S HA 0.382 4.852 4.470 -0.000 0.000 0.273 389 S C -0.904 173.729 174.600 0.055 0.000 1.172 389 S CA -0.550 57.685 58.200 0.059 0.000 1.116 389 S CB 0.721 63.955 63.200 0.055 0.000 1.057 389 S HN 0.723 nan 8.310 nan 0.000 0.483 390 V N 3.028 122.972 119.914 0.051 0.000 2.667 390 V HA 0.767 4.887 4.120 -0.000 0.000 0.308 390 V C 0.001 176.122 176.094 0.045 0.000 1.048 390 V CA -0.938 61.393 62.300 0.053 0.000 0.928 390 V CB 1.426 33.284 31.823 0.060 0.000 1.004 390 V HN 0.933 nan 8.190 nan 0.000 0.444 391 E N 4.229 124.457 120.200 0.046 0.000 2.409 391 E HA 0.395 4.744 4.350 -0.000 0.000 0.257 391 E C -0.615 176.007 176.600 0.037 0.000 1.150 391 E CA -0.819 55.603 56.400 0.037 0.000 0.942 391 E CB 0.587 30.308 29.700 0.036 0.000 0.979 391 E HN 0.650 nan 8.360 nan 0.000 0.447 392 R N 0.200 120.712 120.500 0.020 0.000 2.691 392 R HA 0.563 4.903 4.340 -0.000 0.000 0.259 392 R C -0.134 176.164 176.300 -0.003 0.000 1.048 392 R CA -0.682 55.424 56.100 0.009 0.000 1.086 392 R CB 1.516 31.810 30.300 -0.011 0.000 1.166 392 R HN 0.751 nan 8.270 nan 0.000 0.526 393 T N -1.650 112.888 114.554 -0.026 0.000 2.731 393 T HA 0.581 4.931 4.350 -0.000 0.000 0.300 393 T C -0.715 173.805 174.700 -0.299 0.000 1.283 393 T CA 0.444 62.496 62.100 -0.081 0.000 1.005 393 T CB 1.291 70.205 68.868 0.077 0.000 1.420 393 T HN 0.885 nan 8.240 nan 0.000 0.503 394 G N 1.985 110.340 108.800 -0.741 0.000 2.860 394 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.553 394 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.553 394 G C -2.879 171.554 174.900 -0.777 0.000 1.439 394 G CA -0.659 43.551 45.100 -1.484 0.000 0.879 394 G HN 0.761 nan 8.290 nan 0.000 0.545 395 P HA 0.375 nan 4.420 nan 0.000 0.258 395 P C 0.338 177.508 177.300 -0.217 0.000 1.172 395 P CA 1.071 63.963 63.100 -0.345 0.000 0.762 395 P CB 0.167 31.722 31.700 -0.242 0.000 0.764 396 E N 2.700 122.810 120.200 -0.150 0.000 2.971 396 E HA -0.208 4.141 4.350 -0.000 0.000 0.278 396 E C 1.040 177.583 176.600 -0.095 0.000 1.009 396 E CA 1.325 57.667 56.400 -0.096 0.000 0.862 396 E CB -2.175 27.486 29.700 -0.066 0.000 1.436 396 E HN 0.828 nan 8.360 nan 0.000 0.434 397 G N 0.043 108.762 108.800 -0.134 0.000 2.249 397 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.273 397 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.273 397 G C 0.631 175.486 174.900 -0.075 0.000 1.036 397 G CA 0.956 45.994 45.100 -0.104 0.000 0.824 397 G HN 0.683 nan 8.290 nan 0.000 0.504 398 E N -1.157 118.985 120.200 -0.097 0.000 2.338 398 E HA 0.149 4.499 4.350 -0.000 0.000 0.197 398 E C 1.089 177.690 176.600 0.002 0.000 1.007 398 E CA 0.315 56.690 56.400 -0.042 0.000 0.849 398 E CB 0.162 29.837 29.700 -0.042 0.000 0.774 398 E HN 0.603 nan 8.360 nan 0.000 0.506 399 L N 1.434 122.657 121.223 -0.000 0.000 2.333 399 L HA 0.484 4.824 4.340 -0.000 0.000 0.269 399 L C -2.367 174.543 176.870 0.066 0.000 1.010 399 L CA -3.095 51.788 54.840 0.071 0.000 0.818 399 L CB 1.941 44.099 42.059 0.165 0.000 1.306 399 L HN -0.119 nan 8.230 nan 0.000 0.430 400 P HA 0.076 nan 4.420 nan 0.000 0.275 400 P C -0.455 176.914 177.300 0.115 0.000 1.228 400 P CA -0.403 62.747 63.100 0.082 0.000 0.786 400 P CB 1.486 33.233 31.700 0.079 0.000 0.927 401 K N 1.647 122.109 120.400 0.104 0.000 2.167 401 K HA 0.065 4.385 4.320 -0.000 0.000 0.203 401 K C 0.156 176.840 176.600 0.140 0.000 1.052 401 K CA 0.983 57.349 56.287 0.132 0.000 0.956 401 K CB 0.178 32.739 32.500 0.101 0.000 0.735 401 K HN 0.271 nan 8.250 nan 0.000 0.451 402 V N 0.198 120.181 119.914 0.115 0.000 2.789 402 V HA 0.292 4.412 4.120 -0.000 0.000 0.311 402 V C -1.142 175.022 176.094 0.116 0.000 1.073 402 V CA -0.976 61.393 62.300 0.115 0.000 0.921 402 V CB 1.770 33.651 31.823 0.097 0.000 1.009 402 V HN 0.142 nan 8.190 nan 0.000 0.426 403 S N 3.066 118.853 115.700 0.145 0.000 2.502 403 S HA 0.872 5.341 4.470 -0.000 0.000 0.304 403 S C -1.240 173.517 174.600 0.262 0.000 1.097 403 S CA -0.396 57.919 58.200 0.191 0.000 1.045 403 S CB 1.554 64.884 63.200 0.217 0.000 1.019 403 S HN 0.539 nan 8.310 nan 0.000 0.481 404 V N 3.057 123.025 119.914 0.090 0.000 2.925 404 V HA 0.866 4.986 4.120 -0.000 0.000 0.311 404 V C -0.366 175.495 176.094 -0.388 0.000 1.104 404 V CA -0.682 61.576 62.300 -0.069 0.000 0.954 404 V CB 2.058 33.867 31.823 -0.022 0.000 1.022 404 V HN 0.884 nan 8.190 nan 0.000 0.427 405 S N 1.895 117.293 115.700 -0.503 0.000 2.533 405 S HA 0.879 5.349 4.470 -0.000 0.000 0.271 405 S C -1.084 173.394 174.600 -0.203 0.000 1.143 405 S CA 0.183 58.102 58.200 -0.469 0.000 0.891 405 S CB 1.732 64.425 63.200 -0.845 0.000 1.105 405 S HN 1.517 nan 8.310 nan 0.000 0.468 406 A N 2.444 125.188 122.820 -0.127 0.000 2.414 406 A HA 0.934 5.254 4.320 -0.000 0.000 0.306 406 A C -0.358 177.209 177.584 -0.029 0.000 1.054 406 A CA -0.383 51.630 52.037 -0.040 0.000 0.724 406 A CB 1.602 20.557 19.000 -0.075 0.000 1.267 406 A HN 1.642 nan 8.150 nan 0.000 0.418 407 S N 1.217 116.948 115.700 0.050 0.000 2.607 407 S HA 0.790 5.260 4.470 -0.000 0.000 0.273 407 S C -0.844 173.783 174.600 0.046 0.000 1.148 407 S CA -0.859 57.363 58.200 0.036 0.000 0.833 407 S CB 1.659 64.914 63.200 0.092 0.000 1.130 407 S HN 0.958 nan 8.310 nan 0.000 0.470 408 R N 0.875 121.388 120.500 0.020 0.000 2.393 408 R HA 0.708 5.048 4.340 -0.000 0.000 0.315 408 R C 0.120 176.445 176.300 0.041 0.000 0.952 408 R CA -0.478 55.633 56.100 0.018 0.000 0.842 408 R CB 1.249 31.537 30.300 -0.020 0.000 1.163 408 R HN 0.984 nan 8.270 nan 0.000 0.450 409 A N 2.942 125.814 122.820 0.088 0.000 2.327 409 A HA 0.383 4.703 4.320 -0.000 0.000 0.255 409 A C 1.154 178.757 177.584 0.031 0.000 1.099 409 A CA 0.403 52.481 52.037 0.068 0.000 0.801 409 A CB 0.314 19.393 19.000 0.133 0.000 1.062 409 A HN 0.974 nan 8.150 nan 0.000 0.496 410 A N 0.051 122.883 122.820 0.020 0.000 2.070 410 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 410 A C 1.325 178.916 177.584 0.011 0.000 1.159 410 A CA 1.888 53.931 52.037 0.011 0.000 0.656 410 A CB -0.591 18.414 19.000 0.009 0.000 0.800 410 A HN 0.874 nan 8.150 nan 0.000 0.453 411 D N -2.302 118.109 120.400 0.018 0.000 2.340 411 D HA 0.270 4.909 4.640 -0.000 0.000 0.220 411 D C 1.177 177.478 176.300 0.003 0.000 1.039 411 D CA 0.934 54.941 54.000 0.013 0.000 0.866 411 D CB -0.478 40.334 40.800 0.020 0.000 0.913 411 D HN 0.702 nan 8.370 nan 0.000 0.523 412 G N 0.132 108.932 108.800 -0.002 0.000 2.217 412 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.246 412 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.246 412 G C 0.245 175.119 174.900 -0.045 0.000 0.990 412 G CA 0.077 45.165 45.100 -0.020 0.000 0.627 412 G HN 0.462 nan 8.290 nan 0.000 0.522 413 K N 0.293 120.662 120.400 -0.052 0.000 2.355 413 K HA 0.541 4.861 4.320 -0.000 0.000 0.270 413 K C 0.160 176.620 176.600 -0.234 0.000 1.003 413 K CA 0.097 56.293 56.287 -0.151 0.000 0.957 413 K CB 1.054 33.452 32.500 -0.170 0.000 0.939 413 K HN 0.296 nan 8.250 nan 0.000 0.482 414 I N 2.403 122.768 120.570 -0.341 0.000 2.404 414 I HA 0.192 4.361 4.170 -0.000 0.000 0.293 414 I C -0.579 175.250 176.117 -0.481 0.000 0.992 414 I CA -0.778 60.354 61.300 -0.279 0.000 1.149 414 I CB 1.275 39.177 38.000 -0.163 0.000 1.315 414 I HN 0.540 nan 8.210 nan 0.000 0.446 415 H N 5.959 124.973 119.070 -0.095 0.000 2.538 415 H HA 0.625 5.181 4.556 -0.000 0.000 0.353 415 H C -0.906 174.379 175.328 -0.071 0.000 1.109 415 H CA -0.466 55.502 56.048 -0.133 0.000 1.192 415 H CB 1.947 31.541 29.762 -0.280 0.000 1.555 415 H HN 0.369 nan 8.280 nan 0.000 0.518 416 I N 2.627 123.211 120.570 0.023 0.000 2.439 416 I HA 0.251 4.421 4.170 -0.000 0.000 0.285 416 I C -0.495 175.630 176.117 0.014 0.000 1.021 416 I CA -0.575 60.731 61.300 0.011 0.000 1.091 416 I CB 1.454 39.428 38.000 -0.043 0.000 1.242 416 I HN 0.583 nan 8.210 nan 0.000 0.439 417 S N 6.942 122.672 115.700 0.051 0.000 2.565 417 S HA 0.898 5.368 4.470 -0.000 0.000 0.290 417 S C -0.758 173.962 174.600 0.200 0.000 1.150 417 S CA -0.778 57.477 58.200 0.092 0.000 1.058 417 S CB 1.944 65.091 63.200 -0.088 0.000 1.032 417 S HN 0.381 nan 8.310 nan 0.000 0.510 418 L N 1.170 122.520 121.223 0.212 0.000 2.464 418 L HA 0.511 4.851 4.340 -0.000 0.000 0.266 418 L C -1.008 175.968 176.870 0.176 0.000 0.965 418 L CA -0.411 54.544 54.840 0.193 0.000 0.833 418 L CB 1.887 43.981 42.059 0.059 0.000 1.296 418 L HN 0.816 nan 8.230 nan 0.000 0.405 419 C N 1.302 120.708 119.300 0.177 0.000 2.355 419 C HA 0.584 5.044 4.460 -0.000 0.000 0.332 419 C C 0.180 175.242 174.990 0.120 0.000 1.255 419 C CA -0.751 58.336 59.018 0.114 0.000 1.792 419 C CB 1.040 28.813 27.740 0.055 0.000 2.300 419 C HN 0.770 nan 8.230 nan 0.000 0.515 420 N N 1.971 120.746 118.700 0.125 0.000 2.469 420 N HA 0.348 5.088 4.740 -0.000 0.000 0.253 420 N C 0.135 175.781 175.510 0.227 0.000 0.970 420 N CA -0.533 52.609 53.050 0.153 0.000 0.940 420 N CB 0.723 39.286 38.487 0.128 0.000 1.128 420 N HN 0.496 nan 8.380 nan 0.000 0.503 421 L N 1.338 122.717 121.223 0.261 0.000 2.552 421 L HA 0.178 4.517 4.340 -0.000 0.000 0.227 421 L C 0.483 177.696 176.870 0.572 0.000 1.146 421 L CA 0.585 55.654 54.840 0.382 0.000 0.858 421 L CB -0.525 41.733 42.059 0.332 0.000 0.969 421 L HN 0.542 nan 8.230 nan 0.000 0.451 422 D N -0.877 119.758 120.400 0.392 0.000 2.249 422 D HA 0.059 4.699 4.640 -0.000 0.000 0.246 422 D C 0.983 177.314 176.300 0.052 0.000 1.114 422 D CA -0.413 53.754 54.000 0.279 0.000 0.854 422 D CB 0.880 41.792 40.800 0.187 0.000 1.132 422 D HN 0.130 nan 8.370 nan 0.000 0.461 423 F N 1.990 121.805 119.950 -0.226 0.000 2.615 423 F HA 0.266 4.793 4.527 -0.000 0.000 0.297 423 F C 1.428 177.098 175.800 -0.218 0.000 1.124 423 F CA 0.116 57.851 58.000 -0.443 0.000 1.451 423 F CB -0.281 38.043 39.000 -1.127 0.000 1.103 423 F HN 0.314 nan 8.300 nan 0.000 0.569 424 E N 0.836 120.718 120.200 -0.531 0.000 2.122 424 E HA 0.077 4.427 4.350 -0.000 0.000 0.190 424 E C 0.698 177.242 176.600 -0.094 0.000 0.977 424 E CA 1.226 57.443 56.400 -0.306 0.000 0.820 424 E CB 0.029 29.488 29.700 -0.401 0.000 0.770 424 E HN 0.515 nan 8.360 nan 0.000 0.462 425 T N -2.537 111.980 114.554 -0.063 0.000 2.816 425 T HA 0.570 4.920 4.350 -0.000 0.000 0.299 425 T C 0.302 175.022 174.700 0.034 0.000 1.230 425 T CA -0.664 61.435 62.100 -0.001 0.000 1.007 425 T CB 1.562 70.431 68.868 0.001 0.000 1.289 425 T HN 0.044 nan 8.240 nan 0.000 0.508 426 G N -0.327 108.505 108.800 0.054 0.000 2.653 426 G HA2 0.595 4.555 3.960 -0.000 0.000 0.265 426 G HA3 0.595 4.555 3.960 -0.000 0.000 0.265 426 G C -0.350 174.598 174.900 0.080 0.000 1.237 426 G CA -0.464 44.684 45.100 0.080 0.000 0.946 426 G HN 1.303 nan 8.290 nan 0.000 0.522 427 A N -0.153 122.724 122.820 0.095 0.000 2.353 427 A HA 0.679 4.999 4.320 -0.000 0.000 0.299 427 A C -0.028 177.617 177.584 0.101 0.000 1.089 427 A CA -0.491 51.600 52.037 0.090 0.000 0.736 427 A CB 1.409 20.465 19.000 0.093 0.000 1.195 427 A HN 0.717 nan 8.150 nan 0.000 0.447 428 S N 0.763 116.517 115.700 0.090 0.000 2.537 428 S HA 0.573 5.043 4.470 -0.000 0.000 0.275 428 S C -0.237 174.418 174.600 0.091 0.000 1.272 428 S CA -0.438 57.820 58.200 0.097 0.000 1.050 428 S CB 1.176 64.424 63.200 0.079 0.000 0.961 428 S HN 0.680 nan 8.310 nan 0.000 0.496 429 V N 2.774 122.750 119.914 0.103 0.000 2.569 429 V HA 0.320 4.439 4.120 -0.000 0.000 0.301 429 V C -0.789 175.366 176.094 0.102 0.000 1.044 429 V CA -0.896 61.459 62.300 0.093 0.000 0.874 429 V CB 1.973 33.846 31.823 0.084 0.000 1.002 429 V HN 0.915 nan 8.190 nan 0.000 0.424 430 D N 4.889 125.346 120.400 0.096 0.000 2.329 430 D HA 0.541 5.181 4.640 -0.000 0.000 0.232 430 D C -0.599 175.774 176.300 0.122 0.000 1.088 430 D CA -0.099 53.971 54.000 0.117 0.000 0.835 430 D CB 0.938 41.801 40.800 0.105 0.000 1.078 430 D HN 0.461 nan 8.370 nan 0.000 0.495 431 I N 3.032 123.677 120.570 0.125 0.000 2.377 431 I HA 0.285 4.455 4.170 -0.000 0.000 0.293 431 I C 0.118 176.270 176.117 0.059 0.000 0.987 431 I CA -0.856 60.488 61.300 0.073 0.000 1.185 431 I CB 1.786 39.805 38.000 0.032 0.000 1.341 431 I HN 0.429 nan 8.210 nan 0.000 0.455 432 E N 7.310 127.505 120.200 -0.008 0.000 2.129 432 E HA 0.443 4.793 4.350 -0.000 0.000 0.268 432 E C -1.388 175.117 176.600 -0.157 0.000 0.900 432 E CA -0.653 55.664 56.400 -0.137 0.000 0.755 432 E CB 1.100 30.753 29.700 -0.077 0.000 1.117 432 E HN 0.524 nan 8.360 nan 0.000 0.410 433 L N 5.386 126.500 121.223 -0.181 0.000 2.260 433 L HA 0.508 4.847 4.340 -0.000 0.000 0.289 433 L C 0.484 177.264 176.870 -0.151 0.000 1.057 433 L CA -0.386 54.365 54.840 -0.148 0.000 0.811 433 L CB 0.804 42.796 42.059 -0.112 0.000 1.184 433 L HN 0.440 nan 8.230 nan 0.000 0.429 434 R N 1.323 121.731 120.500 -0.154 0.000 2.939 434 R HA 0.560 4.900 4.340 -0.000 0.000 0.254 434 R C 0.759 176.988 176.300 -0.117 0.000 1.123 434 R CA -0.506 55.515 56.100 -0.132 0.000 1.020 434 R CB 1.503 31.715 30.300 -0.147 0.000 1.206 434 R HN 0.735 nan 8.270 nan 0.000 0.491 435 G N 0.634 109.381 108.800 -0.087 0.000 2.200 435 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.267 435 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.267 435 G C -0.222 174.639 174.900 -0.065 0.000 0.993 435 G CA 0.341 45.398 45.100 -0.071 0.000 0.701 435 G HN 0.234 nan 8.290 nan 0.000 0.524 436 L N 0.461 121.644 121.223 -0.066 0.000 2.397 436 L HA 0.373 4.712 4.340 -0.000 0.000 0.271 436 L C 1.304 178.149 176.870 -0.042 0.000 1.148 436 L CA 0.266 55.071 54.840 -0.058 0.000 0.825 436 L CB 0.529 42.551 42.059 -0.061 0.000 1.117 436 L HN 0.247 nan 8.230 nan 0.000 0.456 437 N N 1.710 120.388 118.700 -0.036 0.000 2.461 437 N HA 0.148 4.887 4.740 -0.000 0.000 0.188 437 N C 0.420 175.917 175.510 -0.022 0.000 1.134 437 N CA 0.363 53.397 53.050 -0.027 0.000 0.878 437 N CB 0.484 38.957 38.487 -0.024 0.000 0.972 437 N HN 0.830 nan 8.380 nan 0.000 0.456 438 G N -0.690 108.095 108.800 -0.024 0.000 2.562 438 G HA2 0.389 4.349 3.960 -0.000 0.000 0.190 438 G HA3 0.389 4.349 3.960 -0.000 0.000 0.190 438 G C -1.041 173.848 174.900 -0.020 0.000 1.196 438 G CA -0.348 44.740 45.100 -0.019 0.000 0.986 438 G HN 0.111 nan 8.290 nan 0.000 0.512 439 G N -1.119 107.672 108.800 -0.014 0.000 2.491 439 G HA2 0.775 4.735 3.960 -0.000 0.000 0.327 439 G HA3 0.775 4.735 3.960 -0.000 0.000 0.327 439 G C -0.522 174.371 174.900 -0.012 0.000 1.189 439 G CA 0.138 45.232 45.100 -0.010 0.000 0.956 439 G HN 1.728 nan 8.290 nan 0.000 0.491 440 V N -1.912 117.998 119.914 -0.006 0.000 2.925 440 V HA 0.874 4.994 4.120 -0.000 0.000 0.311 440 V C -0.146 175.957 176.094 0.015 0.000 1.104 440 V CA -0.791 61.505 62.300 -0.007 0.000 0.954 440 V CB 1.412 33.221 31.823 -0.024 0.000 1.022 440 V HN 1.067 nan 8.190 nan 0.000 0.427 441 S N 1.769 117.479 115.700 0.017 0.000 2.638 441 S HA 0.985 5.455 4.470 -0.000 0.000 0.298 441 S C -0.088 174.546 174.600 0.056 0.000 1.111 441 S CA -0.235 57.993 58.200 0.045 0.000 1.027 441 S CB 1.733 64.956 63.200 0.037 0.000 1.064 441 S HN 2.173 nan 8.310 nan 0.000 0.525 442 A N 1.332 124.226 122.820 0.124 0.000 2.422 442 A HA 0.836 5.156 4.320 -0.000 0.000 0.302 442 A C -0.088 177.638 177.584 0.236 0.000 1.041 442 A CA -0.747 51.369 52.037 0.132 0.000 0.708 442 A CB 1.377 20.451 19.000 0.125 0.000 1.257 442 A HN 1.162 nan 8.150 nan 0.000 0.414 443 T N -0.922 113.717 114.554 0.143 0.000 2.930 443 T HA 0.904 5.254 4.350 -0.000 0.000 0.290 443 T C 0.019 174.795 174.700 0.127 0.000 1.052 443 T CA -0.296 61.922 62.100 0.198 0.000 1.017 443 T CB 1.967 70.915 68.868 0.134 0.000 1.137 443 T HN 1.860 nan 8.240 nan 0.000 0.511 444 G N -0.456 108.474 108.800 0.215 0.000 2.706 444 G HA2 0.591 4.551 3.960 -0.000 0.000 0.297 444 G HA3 0.591 4.551 3.960 -0.000 0.000 0.297 444 G C -1.264 173.794 174.900 0.264 0.000 1.403 444 G CA -0.637 44.594 45.100 0.219 0.000 0.954 444 G HN 0.901 nan 8.290 nan 0.000 0.500 445 T N -0.974 113.696 114.554 0.194 0.000 2.893 445 T HA 0.756 5.106 4.350 -0.000 0.000 0.293 445 T C -0.806 173.965 174.700 0.118 0.000 1.027 445 T CA -0.367 61.836 62.100 0.172 0.000 0.988 445 T CB 2.118 71.059 68.868 0.122 0.000 1.043 445 T HN 0.749 nan 8.240 nan 0.000 0.461 446 T N 3.286 117.914 114.554 0.122 0.000 2.900 446 T HA 0.700 5.050 4.350 -0.000 0.000 0.295 446 T C -1.769 172.967 174.700 0.060 0.000 1.044 446 T CA -0.628 61.499 62.100 0.045 0.000 0.995 446 T CB 1.349 70.228 68.868 0.018 0.000 1.072 446 T HN 0.584 nan 8.240 nan 0.000 0.473 447 L N 3.932 125.184 121.223 0.049 0.000 2.343 447 L HA 0.827 5.167 4.340 -0.000 0.000 0.278 447 L C -0.303 176.609 176.870 0.070 0.000 0.996 447 L CA 0.256 55.127 54.840 0.052 0.000 0.831 447 L CB 1.661 43.759 42.059 0.064 0.000 1.232 447 L HN 0.790 nan 8.230 nan 0.000 0.413 448 T N 2.252 116.850 114.554 0.072 0.000 2.731 448 T HA 0.768 5.118 4.350 -0.000 0.000 0.300 448 T C -1.575 173.172 174.700 0.078 0.000 1.283 448 T CA -0.086 62.067 62.100 0.087 0.000 1.005 448 T CB 1.624 70.545 68.868 0.089 0.000 1.420 448 T HN 0.713 nan 8.240 nan 0.000 0.503 449 S N -1.372 114.374 115.700 0.077 0.000 2.607 449 S HA 0.667 5.137 4.470 -0.000 0.000 0.273 449 S C 0.615 175.234 174.600 0.031 0.000 1.148 449 S CA 0.141 58.373 58.200 0.053 0.000 0.833 449 S CB 1.188 64.428 63.200 0.068 0.000 1.130 449 S HN 1.119 nan 8.310 nan 0.000 0.470 450 G N 1.005 109.810 108.800 0.007 0.000 3.126 450 G HA2 0.325 4.285 3.960 -0.000 0.000 0.224 450 G HA3 0.325 4.285 3.960 -0.000 0.000 0.224 450 G C 0.108 174.984 174.900 -0.039 0.000 1.142 450 G CA -0.215 44.880 45.100 -0.008 0.000 0.759 450 G HN 0.557 nan 8.290 nan 0.000 0.550 451 R N -0.318 120.151 120.500 -0.051 0.000 2.686 451 R HA 0.373 4.713 4.340 -0.000 0.000 0.283 451 R C 1.339 177.565 176.300 -0.124 0.000 0.978 451 R CA -0.752 55.285 56.100 -0.105 0.000 0.897 451 R CB 1.775 32.019 30.300 -0.094 0.000 1.192 451 R HN 0.130 nan 8.270 nan 0.000 0.457 452 I N -1.277 119.131 120.570 -0.270 0.000 2.454 452 I HA -0.133 4.037 4.170 -0.000 0.000 0.254 452 I C 0.679 176.830 176.117 0.057 0.000 1.156 452 I CA 1.393 62.525 61.300 -0.281 0.000 1.433 452 I CB -0.183 37.435 38.000 -0.637 0.000 1.082 452 I HN 0.541 nan 8.210 nan 0.000 0.432 453 D N 1.420 121.722 120.400 -0.164 0.000 2.525 453 D HA 0.166 4.806 4.640 -0.000 0.000 0.229 453 D C 0.908 177.305 176.300 0.161 0.000 1.202 453 D CA -0.374 53.600 54.000 -0.043 0.000 0.828 453 D CB -0.384 40.140 40.800 -0.459 0.000 1.008 453 D HN 0.284 nan 8.370 nan 0.000 0.493 454 G N 1.066 109.944 108.800 0.130 0.000 2.305 454 G HA2 0.341 4.301 3.960 -0.000 0.000 0.243 454 G HA3 0.341 4.301 3.960 -0.000 0.000 0.243 454 G C 0.084 175.103 174.900 0.197 0.000 1.288 454 G CA 0.058 45.227 45.100 0.114 0.000 0.901 454 G HN 0.600 nan 8.290 nan 0.000 0.516 455 H N 0.019 119.091 119.070 0.003 0.000 2.981 455 H HA 0.363 4.919 4.556 -0.000 0.000 0.327 455 H C -1.119 174.193 175.328 -0.027 0.000 1.342 455 H CA -1.125 54.921 56.048 -0.003 0.000 1.123 455 H CB 0.877 30.626 29.762 -0.021 0.000 1.851 455 H HN 0.360 nan 8.280 nan 0.000 0.531 456 N N 0.652 119.351 118.700 -0.002 0.000 2.487 456 N HA 0.339 5.079 4.740 -0.000 0.000 0.292 456 N C 0.032 175.470 175.510 -0.120 0.000 1.108 456 N CA 0.014 53.009 53.050 -0.092 0.000 0.956 456 N CB 2.080 40.535 38.487 -0.054 0.000 1.176 456 N HN 0.795 nan 8.380 nan 0.000 0.484 457 T N -2.593 111.859 114.554 -0.170 0.000 2.907 457 T HA 0.475 4.824 4.350 -0.000 0.000 0.290 457 T C 0.909 175.463 174.700 -0.243 0.000 1.066 457 T CA -0.609 61.363 62.100 -0.213 0.000 1.012 457 T CB 0.435 69.263 68.868 -0.067 0.000 1.184 457 T HN 0.156 nan 8.240 nan 0.000 0.522 458 F N 0.750 120.721 119.950 0.036 0.000 2.171 458 F HA 0.034 4.560 4.527 -0.000 0.000 0.300 458 F C 2.230 178.032 175.800 0.003 0.000 1.090 458 F CA 1.100 59.109 58.000 0.016 0.000 1.293 458 F CB -0.621 38.388 39.000 0.016 0.000 1.013 458 F HN 0.525 nan 8.300 nan 0.000 0.486 459 D N -0.118 120.373 120.400 0.152 0.000 2.144 459 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 459 D C 0.415 176.735 176.300 0.032 0.000 0.978 459 D CA 1.125 55.172 54.000 0.079 0.000 0.833 459 D CB -0.234 40.601 40.800 0.058 0.000 0.961 459 D HN 0.390 nan 8.370 nan 0.000 0.470 460 E N 0.443 120.643 120.200 -0.000 0.000 3.037 460 E HA 0.130 4.480 4.350 -0.000 0.000 0.220 460 E C -2.004 174.569 176.600 -0.045 0.000 1.142 460 E CA -1.215 55.170 56.400 -0.026 0.000 0.888 460 E CB 1.811 31.480 29.700 -0.051 0.000 1.329 460 E HN 0.094 nan 8.360 nan 0.000 0.409 461 P HA -0.049 nan 4.420 nan 0.000 0.242 461 P C 0.007 177.304 177.300 -0.006 0.000 1.197 461 P CA 0.700 63.779 63.100 -0.034 0.000 0.765 461 P CB 0.318 32.016 31.700 -0.004 0.000 0.936 462 E N -0.931 119.267 120.200 -0.003 0.000 2.876 462 E HA 0.194 4.544 4.350 -0.000 0.000 0.208 462 E C 1.355 177.954 176.600 -0.001 0.000 0.981 462 E CA -0.274 56.137 56.400 0.018 0.000 1.174 462 E CB 0.279 29.989 29.700 0.017 0.000 1.047 462 E HN 0.076 nan 8.360 nan 0.000 0.477 463 R N 0.264 120.748 120.500 -0.027 0.000 2.127 463 R HA -0.046 4.294 4.340 -0.000 0.000 0.238 463 R C 0.481 176.771 176.300 -0.016 0.000 1.134 463 R CA 0.947 57.021 56.100 -0.043 0.000 0.975 463 R CB 0.205 30.443 30.300 -0.102 0.000 0.865 463 R HN -0.081 nan 8.270 nan 0.000 0.447 464 V N 1.918 121.841 119.914 0.016 0.000 2.419 464 V HA 0.253 4.373 4.120 -0.000 0.000 0.287 464 V C -0.738 175.387 176.094 0.052 0.000 1.017 464 V CA -0.771 61.557 62.300 0.046 0.000 0.844 464 V CB 1.416 33.290 31.823 0.085 0.000 1.011 464 V HN 0.267 nan 8.190 nan 0.000 0.429 465 K N 4.165 124.522 120.400 -0.071 0.000 2.579 465 K HA 0.762 5.082 4.320 -0.000 0.000 0.284 465 K C -3.387 173.063 176.600 -0.251 0.000 0.990 465 K CA -1.966 54.103 56.287 -0.363 0.000 0.880 465 K CB 1.784 34.116 32.500 -0.281 0.000 1.488 465 K HN 0.233 nan 8.250 nan 0.000 0.425 466 P HA 0.207 nan 4.420 nan 0.000 0.268 466 P C -1.267 176.016 177.300 -0.028 0.000 1.205 466 P CA -0.228 62.813 63.100 -0.099 0.000 0.771 466 P CB 1.005 32.669 31.700 -0.060 0.000 0.858 467 A N 3.796 126.638 122.820 0.036 0.000 2.515 467 A HA 0.727 5.047 4.320 -0.000 0.000 0.296 467 A C -2.839 174.815 177.584 0.117 0.000 1.094 467 A CA -1.997 50.078 52.037 0.065 0.000 0.718 467 A CB 0.627 19.665 19.000 0.064 0.000 1.307 467 A HN 0.288 nan 8.150 nan 0.000 0.408 468 P HA 0.249 nan 4.420 nan 0.000 0.265 468 P C -1.093 176.345 177.300 0.230 0.000 1.193 468 P CA 0.535 63.726 63.100 0.152 0.000 0.765 468 P CB 0.077 31.837 31.700 0.100 0.000 0.823 469 F N 4.069 124.094 119.950 0.124 0.000 2.444 469 F HA 0.434 4.961 4.527 -0.000 0.000 0.342 469 F C 0.878 176.845 175.800 0.278 0.000 1.121 469 F CA -0.445 57.653 58.000 0.164 0.000 0.997 469 F CB 1.387 40.473 39.000 0.143 0.000 1.130 469 F HN 0.200 nan 8.300 nan 0.000 0.454 470 R N 2.152 122.405 120.500 -0.411 0.000 2.541 470 R HA 0.059 4.398 4.340 -0.000 0.000 0.332 470 R C -0.247 175.703 176.300 -0.584 0.000 0.951 470 R CA -0.119 55.782 56.100 -0.332 0.000 1.136 470 R CB 0.289 30.468 30.300 -0.202 0.000 1.449 470 R HN 0.473 nan 8.270 nan 0.000 0.531 471 D N 1.681 121.559 120.400 -0.870 0.000 2.885 471 D HA 0.022 4.662 4.640 -0.000 0.000 0.234 471 D C -0.735 175.447 176.300 -0.198 0.000 1.129 471 D CA 0.259 53.962 54.000 -0.494 0.000 0.991 471 D CB -0.414 40.210 40.800 -0.292 0.000 1.137 471 D HN 0.077 nan 8.370 nan 0.000 0.459 472 F N -1.801 117.989 119.950 -0.267 0.000 2.715 472 F HA 0.618 5.145 4.527 -0.000 0.000 0.318 472 F C -1.248 174.535 175.800 -0.029 0.000 1.141 472 F CA -1.283 56.690 58.000 -0.045 0.000 0.950 472 F CB 1.347 40.398 39.000 0.085 0.000 1.374 472 F HN -0.406 nan 8.300 nan 0.000 0.477 473 K N 1.656 122.142 120.400 0.143 0.000 2.535 473 K HA 0.567 4.887 4.320 -0.000 0.000 0.250 473 K C -2.198 174.518 176.600 0.192 0.000 0.948 473 K CA -0.822 55.479 56.287 0.024 0.000 0.796 473 K CB 2.781 35.287 32.500 0.010 0.000 1.216 473 K HN 0.672 nan 8.250 nan 0.000 0.432 474 L N 2.817 124.133 121.223 0.155 0.000 2.294 474 L HA 0.342 4.682 4.340 -0.000 0.000 0.283 474 L C -1.074 175.856 176.870 0.101 0.000 1.015 474 L CA 0.101 55.045 54.840 0.175 0.000 0.831 474 L CB 1.004 43.191 42.059 0.213 0.000 1.217 474 L HN 0.580 nan 8.230 nan 0.000 0.420 475 E N 4.422 124.688 120.200 0.111 0.000 2.331 475 E HA 0.528 4.877 4.350 -0.000 0.000 0.243 475 E C 0.647 177.304 176.600 0.096 0.000 0.925 475 E CA 0.079 56.532 56.400 0.089 0.000 0.760 475 E CB 1.020 30.771 29.700 0.086 0.000 1.254 475 E HN 0.930 nan 8.360 nan 0.000 0.419 476 G N 2.963 111.799 108.800 0.060 0.000 3.181 476 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.322 476 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.322 476 G C 0.862 175.770 174.900 0.014 0.000 1.246 476 G CA 0.159 45.283 45.100 0.039 0.000 0.989 476 G HN 0.681 nan 8.290 nan 0.000 0.607 477 G N -0.457 108.334 108.800 -0.016 0.000 3.377 477 G HA2 0.475 4.435 3.960 -0.000 0.000 0.257 477 G HA3 0.475 4.435 3.960 -0.000 0.000 0.257 477 G C 0.191 174.962 174.900 -0.216 0.000 1.038 477 G CA 0.370 45.398 45.100 -0.121 0.000 0.809 477 G HN 0.754 nan 8.290 nan 0.000 0.526 478 H N 0.117 119.205 119.070 0.030 0.000 2.481 478 H HA 0.379 4.935 4.556 -0.000 0.000 0.333 478 H C -1.138 174.229 175.328 0.064 0.000 1.066 478 H CA -0.398 55.675 56.048 0.041 0.000 1.209 478 H CB 2.523 32.310 29.762 0.041 0.000 1.445 478 H HN 0.023 nan 8.280 nan 0.000 0.488 479 L N 4.818 126.151 121.223 0.183 0.000 2.318 479 L HA 0.293 4.633 4.340 -0.000 0.000 0.277 479 L C -0.682 176.303 176.870 0.191 0.000 1.008 479 L CA -0.635 54.316 54.840 0.184 0.000 0.846 479 L CB 0.350 42.476 42.059 0.112 0.000 1.220 479 L HN 0.479 nan 8.230 nan 0.000 0.423 480 N N 4.293 123.120 118.700 0.211 0.000 2.425 480 N HA 0.588 5.327 4.740 -0.000 0.000 0.268 480 N C -0.741 174.918 175.510 0.248 0.000 0.991 480 N CA -0.197 52.963 53.050 0.184 0.000 0.931 480 N CB 2.117 40.681 38.487 0.128 0.000 1.130 480 N HN 0.604 nan 8.380 nan 0.000 0.493 481 A N 1.285 124.251 122.820 0.244 0.000 2.365 481 A HA 0.636 4.956 4.320 -0.000 0.000 0.318 481 A C -0.421 177.341 177.584 0.296 0.000 1.091 481 A CA -0.654 51.595 52.037 0.353 0.000 0.763 481 A CB 0.901 20.117 19.000 0.359 0.000 1.248 481 A HN 0.452 nan 8.150 nan 0.000 0.442 482 S N 2.242 118.161 115.700 0.366 0.000 2.488 482 S HA 0.427 4.897 4.470 -0.000 0.000 0.310 482 S C -0.248 174.583 174.600 0.384 0.000 1.093 482 S CA -0.369 58.001 58.200 0.283 0.000 1.129 482 S CB -0.101 63.217 63.200 0.196 0.000 0.989 482 S HN 0.542 nan 8.310 nan 0.000 0.479 483 L N 4.045 125.410 121.223 0.237 0.000 2.380 483 L HA 0.332 4.672 4.340 -0.000 0.000 0.273 483 L C -2.180 174.782 176.870 0.154 0.000 1.138 483 L CA -2.033 52.886 54.840 0.132 0.000 0.832 483 L CB -0.076 42.002 42.059 0.032 0.000 1.124 483 L HN 0.250 nan 8.230 nan 0.000 0.454 484 P HA 0.152 nan 4.420 nan 0.000 0.271 484 P C -2.438 174.925 177.300 0.104 0.000 1.233 484 P CA -1.020 62.163 63.100 0.139 0.000 0.789 484 P CB -0.149 31.636 31.700 0.142 0.000 0.951 488 V N 1.413 121.364 119.914 0.062 0.000 2.577 488 V HA 0.799 4.919 4.120 -0.000 0.000 0.303 488 V C -0.546 175.588 176.094 0.066 0.000 1.042 488 V CA -0.252 62.093 62.300 0.076 0.000 0.872 488 V CB 1.818 33.670 31.823 0.048 0.000 0.998 488 V HN 1.085 nan 8.190 nan 0.000 0.423 489 T N 3.729 118.321 114.554 0.063 0.000 2.893 489 T HA 0.680 5.030 4.350 -0.000 0.000 0.293 489 T C -0.845 173.882 174.700 0.046 0.000 1.027 489 T CA -0.497 61.574 62.100 -0.048 0.000 0.988 489 T CB 2.037 70.706 68.868 -0.332 0.000 1.043 489 T HN 0.343 nan 8.240 nan 0.000 0.461 490 V N 3.993 123.933 119.914 0.043 0.000 2.487 490 V HA 0.527 4.646 4.120 -0.000 0.000 0.298 490 V C -0.605 175.492 176.094 0.005 0.000 1.028 490 V CA -0.846 61.480 62.300 0.042 0.000 0.860 490 V CB 1.601 33.471 31.823 0.079 0.000 0.991 490 V HN 0.700 nan 8.190 nan 0.000 0.427 491 L N 3.951 125.152 121.223 -0.035 0.000 2.307 491 L HA 0.636 4.976 4.340 -0.000 0.000 0.284 491 L C -0.041 176.790 176.870 -0.065 0.000 1.023 491 L CA -0.361 54.429 54.840 -0.083 0.000 0.810 491 L CB 1.882 43.832 42.059 -0.180 0.000 1.231 491 L HN 0.677 nan 8.230 nan 0.000 0.423 492 E N 4.145 124.307 120.200 -0.063 0.000 2.145 492 E HA 0.504 4.854 4.350 -0.000 0.000 0.270 492 E C -1.467 175.039 176.600 -0.156 0.000 0.906 492 E CA -0.617 55.691 56.400 -0.154 0.000 0.761 492 E CB 1.285 30.959 29.700 -0.043 0.000 1.116 492 E HN 0.494 nan 8.360 nan 0.000 0.408 493 L N 4.020 125.107 121.223 -0.226 0.000 2.296 493 L HA 0.450 4.789 4.340 -0.000 0.000 0.286 493 L C -0.419 176.368 176.870 -0.138 0.000 1.023 493 L CA -0.782 53.974 54.840 -0.140 0.000 0.812 493 L CB 1.754 43.736 42.059 -0.128 0.000 1.223 493 L HN 0.532 nan 8.230 nan 0.000 0.421 494 T N 1.769 116.277 114.554 -0.076 0.000 2.779 494 T HA 0.511 4.861 4.350 -0.000 0.000 0.280 494 T C 0.334 175.011 174.700 -0.039 0.000 0.987 494 T CA -0.520 61.545 62.100 -0.059 0.000 0.966 494 T CB 1.782 70.631 68.868 -0.032 0.000 0.933 494 T HN 0.683 nan 8.240 nan 0.000 0.442 495 A N 2.779 125.575 122.820 -0.040 0.000 2.567 495 A HA 0.548 4.868 4.320 -0.000 0.000 0.240 495 A C 1.224 178.798 177.584 -0.017 0.000 1.053 495 A CA 0.727 52.746 52.037 -0.029 0.000 0.755 495 A CB -1.030 17.953 19.000 -0.028 0.000 0.978 495 A HN 1.788 nan 8.150 nan 0.000 0.507 496 G N 0.000 108.792 108.800 -0.013 0.000 5.446 496 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 496 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 496 G CA 0.000 45.096 45.100 -0.006 0.000 0.502 496 G HN 0.000 nan 8.290 nan 0.000 0.925