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 2jjm_1_L DATA FIRST_RESID 2 DATA SEQUENCE KLKIGITCYP XXGGSGVVGT ELGKQLAERG HEIHFITSGL PXXXXKVYPN DATA SEQUENCE IYFHEVTVNX XXXFQYPPYD LALASKMAEV AQRENLDILH VHYAIPHAIC DATA SEQUENCE AYLAKQMIGE RIKIVTTLHG TDITVLGSDP SLNNLIRFGI EQSDVVTAVS DATA SEQUENCE HSLINETHEL VKPNKDIQTV YNFIDERVYF KRDMTQLKKE YGISXXXKIL DATA SEQUENCE IHISNFRKVK RVQDVVQAFA KIVTEVDAKL LLVGDGPEFC TILQLVKNLH DATA SEQUENCE IEDRVLFLGK QDNVAELLAM SDLMLLLSEK ESFGLVLLEA MACGVPCIGT DATA SEQUENCE RVGGIPEVIQ HGDTGYLCEV GDTTGVADQA IQLLKDEELH RNMGERARES DATA SEQUENCE VYEQFRSEKI VSQYETIYYD VLR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.768 176.600 0.280 0.000 0.988 2 K CA 0.000 56.389 56.287 0.170 0.000 0.838 2 K CB 0.000 32.596 32.500 0.161 0.000 1.064 3 L N 1.345 122.799 121.223 0.386 0.000 2.482 3 L HA 0.460 4.800 4.340 -0.000 0.000 0.263 3 L C -1.481 175.425 176.870 0.060 0.000 0.957 3 L CA -0.465 54.469 54.840 0.158 0.000 0.836 3 L CB 2.299 44.312 42.059 -0.076 0.000 1.324 3 L HN 0.217 nan 8.230 nan 0.000 0.406 4 K N 5.268 125.646 120.400 -0.037 0.000 2.299 4 K HA 0.591 4.911 4.320 -0.000 0.000 0.268 4 K C -0.895 175.614 176.600 -0.151 0.000 1.075 4 K CA -0.378 55.883 56.287 -0.042 0.000 0.936 4 K CB 0.674 33.140 32.500 -0.058 0.000 1.228 4 K HN 0.312 nan 8.250 nan 0.000 0.454 5 I N 1.402 121.866 120.570 -0.175 0.000 2.525 5 I HA 0.414 4.584 4.170 -0.000 0.000 0.301 5 I C 0.735 176.719 176.117 -0.221 0.000 0.992 5 I CA -0.888 60.230 61.300 -0.302 0.000 1.162 5 I CB 1.466 39.202 38.000 -0.440 0.000 1.332 5 I HN 0.541 nan 8.210 nan 0.000 0.458 6 G N 5.506 114.163 108.800 -0.239 0.000 2.487 6 G HA2 0.671 4.631 3.960 -0.000 0.000 0.314 6 G HA3 0.671 4.631 3.960 -0.000 0.000 0.314 6 G C -0.933 173.837 174.900 -0.217 0.000 1.267 6 G CA -0.232 44.748 45.100 -0.200 0.000 0.937 6 G HN 0.344 nan 8.290 nan 0.000 0.481 7 I N 1.123 121.504 120.570 -0.314 0.000 2.460 7 I HA 0.525 4.695 4.170 -0.000 0.000 0.298 7 I C 0.305 176.370 176.117 -0.087 0.000 0.989 7 I CA -0.286 60.871 61.300 -0.238 0.000 1.173 7 I CB 2.510 40.258 38.000 -0.421 0.000 1.338 7 I HN 0.267 nan 8.210 nan 0.000 0.456 8 T N 4.737 119.245 114.554 -0.076 0.000 2.879 8 T HA 0.686 5.036 4.350 -0.000 0.000 0.290 8 T C -0.839 173.680 174.700 -0.301 0.000 0.993 8 T CA -0.457 61.531 62.100 -0.187 0.000 0.975 8 T CB 0.930 69.609 68.868 -0.315 0.000 0.981 8 T HN 0.885 nan 8.240 nan 0.000 0.439 9 C N 1.520 120.630 119.300 -0.317 0.000 3.260 9 C HA 0.649 5.108 4.460 -0.000 0.000 0.366 9 C C -2.016 172.852 174.990 -0.203 0.000 1.537 9 C CA -1.154 57.684 59.018 -0.299 0.000 1.160 9 C CB 0.284 27.901 27.740 -0.205 0.000 1.760 9 C HN 0.715 nan 8.230 nan 0.000 0.432 10 Y N 1.572 121.889 120.300 0.028 0.000 2.944 10 Y HA 0.521 5.071 4.550 -0.000 0.000 0.335 10 Y C -1.798 174.065 175.900 -0.062 0.000 1.075 10 Y CA -2.015 56.083 58.100 -0.004 0.000 1.240 10 Y CB -0.888 37.552 38.460 -0.033 0.000 1.167 10 Y HN 0.570 nan 8.280 nan 0.000 0.555 15 G N 0.619 109.403 108.800 -0.028 0.000 2.395 15 G HA2 0.094 4.054 3.960 -0.000 0.000 0.214 15 G HA3 0.094 4.054 3.960 -0.000 0.000 0.214 15 G C 2.245 177.091 174.900 -0.089 0.000 1.177 15 G CA 2.617 47.705 45.100 -0.019 0.000 0.794 15 G HN 1.543 nan 8.290 nan 0.000 0.532 16 S N 0.979 116.544 115.700 -0.226 0.000 2.374 16 S HA -0.065 4.404 4.470 -0.000 0.000 0.227 16 S C 2.461 176.921 174.600 -0.233 0.000 1.037 16 S CA 1.839 59.785 58.200 -0.423 0.000 1.024 16 S CB -1.062 61.920 63.200 -0.362 0.000 0.861 16 S HN 0.464 nan 8.310 nan 0.000 0.456 17 G N 1.585 110.308 108.800 -0.128 0.000 2.421 17 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.216 17 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.216 17 G C 1.480 176.306 174.900 -0.123 0.000 1.171 17 G CA 1.095 46.130 45.100 -0.108 0.000 0.775 17 G HN 0.505 nan 8.290 nan 0.000 0.543 18 V N 0.818 120.673 119.914 -0.098 0.000 2.231 18 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 18 V C 3.040 179.052 176.094 -0.137 0.000 1.054 18 V CA 1.894 64.138 62.300 -0.094 0.000 1.015 18 V CB -0.962 30.814 31.823 -0.078 0.000 0.638 18 V HN 0.254 nan 8.190 nan 0.000 0.444 19 V N 1.057 120.875 119.914 -0.159 0.000 2.261 19 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 19 V C 2.725 178.719 176.094 -0.168 0.000 1.047 19 V CA 2.295 64.473 62.300 -0.204 0.000 1.015 19 V CB -1.733 30.081 31.823 -0.015 0.000 0.642 19 V HN 0.605 nan 8.190 nan 0.000 0.446 20 G N -0.100 108.488 108.800 -0.353 0.000 2.476 20 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.218 20 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.218 20 G C 1.687 176.544 174.900 -0.072 0.000 1.164 20 G CA 1.831 46.598 45.100 -0.555 0.000 0.768 20 G HN 0.485 nan 8.290 nan 0.000 0.560 21 T N 0.526 115.064 114.554 -0.026 0.000 2.708 21 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 21 T C 2.217 177.004 174.700 0.144 0.000 1.037 21 T CA 1.625 63.761 62.100 0.060 0.000 1.146 21 T CB -0.162 68.645 68.868 -0.102 0.000 0.865 21 T HN 0.354 nan 8.240 nan 0.000 0.435 22 E N 1.031 121.279 120.200 0.081 0.000 2.072 22 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 22 E C 1.981 178.779 176.600 0.330 0.000 0.985 22 E CA 0.544 57.044 56.400 0.167 0.000 0.801 22 E CB -0.581 29.159 29.700 0.067 0.000 0.750 22 E HN 0.322 nan 8.360 nan 0.000 0.452 23 L N -0.123 121.329 121.223 0.383 0.000 2.079 23 L HA -0.017 4.323 4.340 -0.000 0.000 0.210 23 L C 2.083 179.070 176.870 0.195 0.000 1.081 23 L CA 2.500 57.580 54.840 0.400 0.000 0.752 23 L CB -1.057 41.165 42.059 0.271 0.000 0.896 23 L HN 0.212 nan 8.230 nan 0.000 0.433 24 G N -0.907 107.991 108.800 0.163 0.000 2.403 24 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.216 24 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.216 24 G C 1.695 176.627 174.900 0.053 0.000 1.154 24 G CA 0.711 45.838 45.100 0.045 0.000 0.784 24 G HN 0.465 nan 8.290 nan 0.000 0.538 25 K N -0.130 120.330 120.400 0.100 0.000 2.026 25 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 25 K C 2.641 179.218 176.600 -0.038 0.000 1.048 25 K CA 1.327 57.568 56.287 -0.078 0.000 0.929 25 K CB -0.138 32.348 32.500 -0.024 0.000 0.713 25 K HN 0.182 nan 8.250 nan 0.000 0.439 26 Q N 0.738 120.592 119.800 0.090 0.000 2.002 26 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 26 Q C 2.361 178.422 176.000 0.102 0.000 0.988 26 Q CA 1.539 57.406 55.803 0.105 0.000 0.843 26 Q CB -0.460 28.345 28.738 0.111 0.000 0.908 26 Q HN 0.393 nan 8.270 nan 0.000 0.420 27 L N 0.393 121.689 121.223 0.122 0.000 2.129 27 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 27 L C 2.480 179.466 176.870 0.193 0.000 1.087 27 L CA 1.132 56.093 54.840 0.202 0.000 0.757 27 L CB -0.602 41.549 42.059 0.153 0.000 0.896 27 L HN 0.185 nan 8.230 nan 0.000 0.434 28 A N -0.056 122.806 122.820 0.070 0.000 1.873 28 A HA -0.208 4.112 4.320 -0.000 0.000 0.215 28 A C 2.104 179.736 177.584 0.080 0.000 1.186 28 A CA 1.526 53.586 52.037 0.038 0.000 0.616 28 A CB -0.457 18.476 19.000 -0.111 0.000 0.823 28 A HN 0.460 nan 8.150 nan 0.000 0.442 29 E N -0.282 119.970 120.200 0.087 0.000 2.267 29 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 29 E C 1.553 178.207 176.600 0.089 0.000 0.998 29 E CA 0.804 57.287 56.400 0.137 0.000 0.830 29 E CB -0.171 29.622 29.700 0.156 0.000 0.751 29 E HN 0.508 nan 8.360 nan 0.000 0.491 30 R N -0.378 120.164 120.500 0.070 0.000 2.335 30 R HA 0.088 4.428 4.340 -0.000 0.000 0.223 30 R C 1.013 177.242 176.300 -0.118 0.000 0.940 30 R CA 0.486 56.591 56.100 0.008 0.000 1.086 30 R CB 0.553 30.886 30.300 0.055 0.000 1.073 30 R HN 0.254 nan 8.270 nan 0.000 0.504 31 G N 0.582 109.349 108.800 -0.056 0.000 2.195 31 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.246 31 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.246 31 G C 0.097 174.951 174.900 -0.078 0.000 0.984 31 G CA -0.256 44.800 45.100 -0.074 0.000 0.633 31 G HN 0.380 nan 8.290 nan 0.000 0.525 32 H N 0.744 119.855 119.070 0.069 0.000 2.679 32 H HA 0.436 4.992 4.556 -0.000 0.000 0.369 32 H C 0.387 175.741 175.328 0.043 0.000 1.178 32 H CA 0.463 56.541 56.048 0.050 0.000 1.419 32 H CB 1.053 30.833 29.762 0.030 0.000 1.458 32 H HN 0.481 nan 8.280 nan 0.000 0.605 33 E N 2.192 122.505 120.200 0.189 0.000 2.055 33 E HA 0.241 4.591 4.350 -0.000 0.000 0.274 33 E C -0.865 175.794 176.600 0.099 0.000 0.949 33 E CA -0.739 55.753 56.400 0.153 0.000 0.775 33 E CB 0.130 29.947 29.700 0.195 0.000 1.097 33 E HN 0.262 nan 8.360 nan 0.000 0.404 34 I N 4.111 124.668 120.570 -0.022 0.000 2.396 34 I HA 0.152 4.321 4.170 -0.000 0.000 0.292 34 I C -0.093 175.852 176.117 -0.288 0.000 0.999 34 I CA -0.319 60.867 61.300 -0.189 0.000 1.310 34 I CB 1.130 38.929 38.000 -0.336 0.000 1.404 34 I HN 0.526 nan 8.210 nan 0.000 0.496 35 H N 6.699 125.620 119.070 -0.248 0.000 2.866 35 H HA 0.279 4.835 4.556 -0.000 0.000 0.287 35 H C -1.016 174.193 175.328 -0.199 0.000 1.106 35 H CA -0.525 55.473 56.048 -0.084 0.000 1.396 35 H CB 0.689 30.421 29.762 -0.051 0.000 1.469 35 H HN 0.295 nan 8.280 nan 0.000 0.500 36 F N 3.220 123.114 119.950 -0.094 0.000 2.506 36 F HA 0.146 4.673 4.527 -0.000 0.000 0.371 36 F C 0.931 176.776 175.800 0.074 0.000 1.078 36 F CA -0.016 57.918 58.000 -0.109 0.000 1.195 36 F CB 0.437 39.240 39.000 -0.329 0.000 1.099 36 F HN 0.363 nan 8.300 nan 0.000 0.548 37 I N 3.812 124.500 120.570 0.198 0.000 2.428 37 I HA 0.293 4.463 4.170 -0.000 0.000 0.279 37 I C -0.158 176.039 176.117 0.132 0.000 1.040 37 I CA -0.135 61.258 61.300 0.154 0.000 1.171 37 I CB 1.111 39.120 38.000 0.014 0.000 1.312 37 I HN 0.521 nan 8.210 nan 0.000 0.470 38 T N 2.965 117.638 114.554 0.199 0.000 3.159 38 T HA 0.222 4.572 4.350 -0.000 0.000 0.343 38 T C -0.607 174.228 174.700 0.225 0.000 1.364 38 T CA -0.639 61.573 62.100 0.188 0.000 1.102 38 T CB 1.285 70.241 68.868 0.146 0.000 1.263 38 T HN 0.425 nan 8.240 nan 0.000 0.477 39 S N 2.919 118.783 115.700 0.273 0.000 2.411 39 S HA 0.722 5.192 4.470 -0.000 0.000 0.304 39 S C 0.816 175.506 174.600 0.150 0.000 1.098 39 S CA 0.229 58.565 58.200 0.228 0.000 1.068 39 S CB 0.289 63.670 63.200 0.302 0.000 1.032 39 S HN 1.466 nan 8.310 nan 0.000 0.511 40 G N 1.877 110.738 108.800 0.103 0.000 2.512 40 G HA2 0.364 4.324 3.960 -0.000 0.000 0.181 40 G HA3 0.364 4.324 3.960 -0.000 0.000 0.181 40 G C -1.758 173.147 174.900 0.008 0.000 1.173 40 G CA -0.897 44.232 45.100 0.047 0.000 0.988 40 G HN 0.700 nan 8.290 nan 0.000 0.485 41 L N 2.075 123.281 121.223 -0.028 0.000 2.492 41 L HA 0.342 4.682 4.340 -0.000 0.000 0.259 41 L C -2.302 174.499 176.870 -0.115 0.000 1.229 41 L CA -1.074 53.711 54.840 -0.090 0.000 0.903 41 L CB 1.569 43.571 42.059 -0.095 0.000 1.114 41 L HN 0.308 nan 8.230 nan 0.000 0.494 48 V N 2.345 122.180 119.914 -0.131 0.000 2.612 48 V HA 0.546 4.665 4.120 -0.000 0.000 0.301 48 V C -2.033 173.975 176.094 -0.145 0.000 1.059 48 V CA -0.402 61.880 62.300 -0.030 0.000 0.886 48 V CB 1.220 33.024 31.823 -0.031 0.000 1.007 48 V HN 0.659 nan 8.190 nan 0.000 0.426 49 Y N 6.692 127.003 120.300 0.019 0.000 2.330 49 Y HA 0.513 5.063 4.550 -0.000 0.000 0.336 49 Y C -1.573 174.282 175.900 -0.076 0.000 1.036 49 Y CA -2.040 56.057 58.100 -0.004 0.000 1.125 49 Y CB 1.916 40.391 38.460 0.026 0.000 1.194 49 Y HN 0.486 nan 8.280 nan 0.000 0.469 50 P HA -0.100 nan 4.420 nan 0.000 0.226 50 P C 0.217 177.457 177.300 -0.101 0.000 1.153 50 P CA 1.112 64.187 63.100 -0.042 0.000 0.777 50 P CB 0.287 31.994 31.700 0.011 0.000 0.794 51 N N -0.560 118.134 118.700 -0.009 0.000 2.275 51 N HA 0.099 4.839 4.740 -0.000 0.000 0.236 51 N C -0.312 175.174 175.510 -0.040 0.000 1.154 51 N CA -0.060 53.017 53.050 0.045 0.000 0.866 51 N CB 0.120 38.678 38.487 0.120 0.000 1.093 51 N HN 0.153 nan 8.380 nan 0.000 0.515 52 I N 1.261 121.696 120.570 -0.225 0.000 2.439 52 I HA 0.318 4.488 4.170 -0.000 0.000 0.283 52 I C -1.119 174.739 176.117 -0.432 0.000 1.023 52 I CA -0.818 60.346 61.300 -0.227 0.000 1.100 52 I CB 0.973 38.928 38.000 -0.075 0.000 1.238 52 I HN -0.123 nan 8.210 nan 0.000 0.445 53 Y N 5.202 125.281 120.300 -0.369 0.000 2.420 53 Y HA 0.541 5.091 4.550 -0.000 0.000 0.334 53 Y C -0.517 175.169 175.900 -0.358 0.000 1.094 53 Y CA -0.666 57.267 58.100 -0.278 0.000 1.126 53 Y CB 1.770 40.018 38.460 -0.354 0.000 1.217 53 Y HN 0.301 nan 8.280 nan 0.000 0.462 54 F N 2.359 122.317 119.950 0.014 0.000 2.427 54 F HA 0.378 4.905 4.527 -0.000 0.000 0.348 54 F C -0.075 175.678 175.800 -0.078 0.000 1.125 54 F CA -0.753 57.289 58.000 0.070 0.000 0.989 54 F CB 0.856 39.879 39.000 0.038 0.000 1.165 54 F HN 0.419 nan 8.300 nan 0.000 0.442 55 H N 2.755 121.998 119.070 0.287 0.000 2.457 55 H HA 0.306 4.862 4.556 -0.000 0.000 0.335 55 H C -0.624 174.820 175.328 0.195 0.000 1.115 55 H CA -0.598 55.577 56.048 0.212 0.000 1.219 55 H CB 2.395 32.253 29.762 0.160 0.000 1.471 55 H HN 0.570 nan 8.280 nan 0.000 0.491 56 E N 3.046 123.396 120.200 0.251 0.000 2.238 56 E HA 0.241 4.591 4.350 -0.000 0.000 0.267 56 E C -1.167 175.538 176.600 0.174 0.000 0.887 56 E CA -0.900 55.622 56.400 0.204 0.000 0.769 56 E CB 2.234 32.030 29.700 0.161 0.000 1.187 56 E HN 0.252 nan 8.360 nan 0.000 0.416 57 V N 3.633 123.655 119.914 0.180 0.000 2.427 57 V HA 0.170 4.290 4.120 -0.000 0.000 0.268 57 V C 0.384 176.575 176.094 0.161 0.000 1.046 57 V CA -0.182 62.212 62.300 0.158 0.000 0.970 57 V CB 0.388 32.313 31.823 0.172 0.000 1.001 57 V HN 0.728 nan 8.190 nan 0.000 0.476 58 T N 3.105 117.733 114.554 0.124 0.000 2.795 58 T HA 0.760 5.110 4.350 -0.000 0.000 0.282 58 T C -0.384 174.383 174.700 0.112 0.000 0.980 58 T CA -0.658 61.509 62.100 0.112 0.000 1.012 58 T CB 1.546 70.468 68.868 0.091 0.000 0.936 58 T HN 0.331 nan 8.240 nan 0.000 0.457 59 V N 2.636 122.620 119.914 0.117 0.000 3.103 59 V HA 0.723 4.843 4.120 -0.000 0.000 0.318 59 V C -0.349 175.810 176.094 0.109 0.000 1.114 59 V CA -1.167 61.203 62.300 0.116 0.000 1.020 59 V CB 1.812 33.713 31.823 0.130 0.000 1.085 59 V HN 1.016 nan 8.190 nan 0.000 0.446 66 Q N 1.440 121.383 119.800 0.238 0.000 1.994 66 Q HA -0.020 4.320 4.340 -0.000 0.000 0.198 66 Q C -0.572 175.328 176.000 -0.166 0.000 0.976 66 Q CA 1.602 57.395 55.803 -0.017 0.000 0.828 66 Q CB 0.220 28.942 28.738 -0.028 0.000 0.894 66 Q HN 0.539 nan 8.270 nan 0.000 0.432 67 Y N -0.207 120.074 120.300 -0.031 0.000 2.477 67 Y HA 0.293 4.843 4.550 -0.000 0.000 0.347 67 Y C -2.028 173.757 175.900 -0.192 0.000 0.981 67 Y CA -3.059 54.999 58.100 -0.071 0.000 1.033 67 Y CB 1.461 39.888 38.460 -0.055 0.000 1.245 67 Y HN 0.032 nan 8.280 nan 0.000 0.455 68 P HA 0.128 nan 4.420 nan 0.000 0.265 68 P C -2.584 174.663 177.300 -0.089 0.000 1.222 68 P CA -1.148 61.921 63.100 -0.051 0.000 0.767 68 P CB 0.457 32.190 31.700 0.055 0.000 0.801 69 P HA -0.011 nan 4.420 nan 0.000 0.238 69 P C 0.673 177.968 177.300 -0.009 0.000 1.679 69 P CA -0.020 62.981 63.100 -0.164 0.000 1.080 69 P CB -0.762 30.772 31.700 -0.276 0.000 1.961 70 Y N 2.021 122.294 120.300 -0.045 0.000 2.181 70 Y HA -0.254 4.296 4.550 -0.000 0.000 0.288 70 Y C 1.575 177.494 175.900 0.030 0.000 1.146 70 Y CA 1.778 59.883 58.100 0.008 0.000 1.164 70 Y CB -0.278 38.197 38.460 0.025 0.000 0.982 70 Y HN 0.091 nan 8.280 nan 0.000 0.515 71 D N 0.446 120.798 120.400 -0.080 0.000 2.088 71 D HA -0.197 4.443 4.640 -0.000 0.000 0.191 71 D C 2.188 178.391 176.300 -0.162 0.000 0.992 71 D CA 1.613 55.519 54.000 -0.156 0.000 0.831 71 D CB -0.635 40.163 40.800 -0.005 0.000 0.973 71 D HN 0.308 nan 8.370 nan 0.000 0.447 72 L N 1.234 122.409 121.223 -0.081 0.000 2.043 72 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 72 L C 2.524 179.352 176.870 -0.069 0.000 1.075 72 L CA 1.457 56.266 54.840 -0.050 0.000 0.752 72 L CB -1.220 40.829 42.059 -0.017 0.000 0.891 72 L HN -0.010 nan 8.230 nan 0.000 0.432 73 A N -0.997 121.771 122.820 -0.088 0.000 1.902 73 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 73 A C 2.273 179.786 177.584 -0.119 0.000 1.181 73 A CA 1.858 53.854 52.037 -0.068 0.000 0.623 73 A CB -0.823 18.160 19.000 -0.027 0.000 0.818 73 A HN 0.364 nan 8.150 nan 0.000 0.443 74 L N -0.362 120.702 121.223 -0.265 0.000 2.056 74 L HA 0.006 4.346 4.340 -0.000 0.000 0.207 74 L C 2.618 179.406 176.870 -0.137 0.000 1.078 74 L CA 2.094 56.776 54.840 -0.264 0.000 0.749 74 L CB -0.810 40.944 42.059 -0.509 0.000 0.901 74 L HN 0.328 nan 8.230 nan 0.000 0.433 75 A N -1.407 121.346 122.820 -0.113 0.000 1.877 75 A HA -0.239 4.081 4.320 -0.000 0.000 0.216 75 A C 2.527 180.077 177.584 -0.058 0.000 1.186 75 A CA 1.999 53.999 52.037 -0.062 0.000 0.620 75 A CB -1.253 17.726 19.000 -0.036 0.000 0.822 75 A HN 0.526 nan 8.150 nan 0.000 0.443 76 S N -0.705 114.965 115.700 -0.050 0.000 2.370 76 S HA -0.217 4.253 4.470 -0.000 0.000 0.226 76 S C 2.142 176.717 174.600 -0.041 0.000 1.033 76 S CA 2.156 60.335 58.200 -0.036 0.000 1.011 76 S CB -0.275 62.916 63.200 -0.015 0.000 0.852 76 S HN 0.511 nan 8.310 nan 0.000 0.457 77 K N 0.779 121.155 120.400 -0.041 0.000 2.097 77 K HA 0.136 4.456 4.320 -0.000 0.000 0.205 77 K C 2.103 178.657 176.600 -0.076 0.000 1.050 77 K CA 1.374 57.640 56.287 -0.036 0.000 0.938 77 K CB -0.381 32.116 32.500 -0.005 0.000 0.718 77 K HN 0.400 nan 8.250 nan 0.000 0.442 78 M N -0.329 119.222 119.600 -0.082 0.000 2.065 78 M HA -0.189 4.291 4.480 -0.000 0.000 0.259 78 M C 2.169 178.398 176.300 -0.118 0.000 1.069 78 M CA 1.991 57.228 55.300 -0.105 0.000 1.110 78 M CB -0.412 32.137 32.600 -0.085 0.000 1.328 78 M HN 0.282 nan 8.290 nan 0.000 0.405 79 A N -0.226 122.538 122.820 -0.094 0.000 1.892 79 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 79 A C 2.022 179.547 177.584 -0.099 0.000 1.188 79 A CA 2.141 54.122 52.037 -0.093 0.000 0.631 79 A CB -0.946 18.009 19.000 -0.075 0.000 0.822 79 A HN 0.602 nan 8.150 nan 0.000 0.447 80 E N -0.166 119.983 120.200 -0.086 0.000 2.031 80 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 80 E C 2.001 178.526 176.600 -0.126 0.000 0.994 80 E CA 1.757 58.109 56.400 -0.081 0.000 0.800 80 E CB -0.175 29.497 29.700 -0.047 0.000 0.752 80 E HN 0.328 nan 8.360 nan 0.000 0.447 81 V N 1.623 121.428 119.914 -0.182 0.000 2.332 81 V HA -0.286 3.833 4.120 -0.000 0.000 0.248 81 V C 2.552 178.464 176.094 -0.303 0.000 1.055 81 V CA 1.770 63.883 62.300 -0.312 0.000 1.038 81 V CB -1.000 30.516 31.823 -0.512 0.000 0.651 81 V HN 0.417 nan 8.190 nan 0.000 0.450 82 A N 0.977 123.654 122.820 -0.238 0.000 1.859 82 A HA -0.330 3.990 4.320 -0.000 0.000 0.217 82 A C 2.274 179.746 177.584 -0.186 0.000 1.198 82 A CA 2.376 54.285 52.037 -0.214 0.000 0.629 82 A CB -0.652 18.250 19.000 -0.164 0.000 0.830 82 A HN 0.754 nan 8.150 nan 0.000 0.446 83 Q N -1.365 118.349 119.800 -0.144 0.000 2.378 83 Q HA -0.006 4.334 4.340 -0.000 0.000 0.205 83 Q C 2.086 178.017 176.000 -0.114 0.000 0.954 83 Q CA 1.005 56.738 55.803 -0.117 0.000 0.901 83 Q CB -0.179 28.506 28.738 -0.089 0.000 0.981 83 Q HN 0.655 nan 8.270 nan 0.000 0.483 84 R N 0.577 120.999 120.500 -0.129 0.000 2.062 84 R HA -0.044 4.296 4.340 -0.000 0.000 0.226 84 R C 1.413 177.629 176.300 -0.141 0.000 1.125 84 R CA 1.306 57.339 56.100 -0.111 0.000 0.966 84 R CB 0.308 30.552 30.300 -0.095 0.000 0.861 84 R HN 0.247 nan 8.270 nan 0.000 0.433 85 E N 0.369 120.435 120.200 -0.224 0.000 2.489 85 E HA -0.019 4.331 4.350 -0.000 0.000 0.193 85 E C -0.199 176.259 176.600 -0.237 0.000 1.057 85 E CA -0.047 56.182 56.400 -0.285 0.000 0.866 85 E CB 0.056 29.406 29.700 -0.584 0.000 0.916 85 E HN 0.265 nan 8.360 nan 0.000 0.500 86 N N 1.205 119.790 118.700 -0.192 0.000 2.708 86 N HA -0.179 4.561 4.740 -0.000 0.000 0.255 86 N C -0.570 174.841 175.510 -0.164 0.000 1.046 86 N CA 0.344 53.305 53.050 -0.148 0.000 0.715 86 N CB -1.219 37.206 38.487 -0.103 0.000 0.895 86 N HN 0.212 nan 8.380 nan 0.000 0.545 87 L N 0.270 121.368 121.223 -0.207 0.000 2.452 87 L HA 0.093 4.433 4.340 -0.000 0.000 0.267 87 L C 1.666 178.438 176.870 -0.164 0.000 1.188 87 L CA -0.173 54.541 54.840 -0.209 0.000 0.821 87 L CB 0.403 42.313 42.059 -0.248 0.000 1.102 87 L HN 0.135 nan 8.230 nan 0.000 0.470 88 D N 1.212 121.511 120.400 -0.169 0.000 2.414 88 D HA 0.200 4.840 4.640 -0.000 0.000 0.237 88 D C 0.220 176.408 176.300 -0.186 0.000 0.975 88 D CA 1.084 54.992 54.000 -0.154 0.000 0.917 88 D CB 0.586 41.295 40.800 -0.151 0.000 1.061 88 D HN 0.190 nan 8.370 nan 0.000 0.480 89 I N 0.638 121.050 120.570 -0.264 0.000 2.603 89 I HA 0.251 4.421 4.170 -0.000 0.000 0.300 89 I C -0.984 174.970 176.117 -0.272 0.000 1.017 89 I CA -0.808 60.308 61.300 -0.306 0.000 1.098 89 I CB 2.612 40.284 38.000 -0.547 0.000 1.279 89 I HN -0.203 nan 8.210 nan 0.000 0.437 90 L N 5.600 126.704 121.223 -0.199 0.000 2.388 90 L HA 0.408 4.748 4.340 -0.000 0.000 0.267 90 L C -1.034 175.802 176.870 -0.056 0.000 0.995 90 L CA -0.107 54.651 54.840 -0.135 0.000 0.864 90 L CB 0.540 42.536 42.059 -0.105 0.000 1.216 90 L HN 0.599 nan 8.230 nan 0.000 0.430 91 H N 4.070 123.034 119.070 -0.176 0.000 2.556 91 H HA 0.624 5.180 4.556 -0.000 0.000 0.310 91 H C -1.203 174.106 175.328 -0.032 0.000 1.057 91 H CA -0.734 55.251 56.048 -0.105 0.000 1.264 91 H CB 1.328 31.033 29.762 -0.094 0.000 1.404 91 H HN 0.459 nan 8.280 nan 0.000 0.462 92 V N 5.449 125.470 119.914 0.178 0.000 2.769 92 V HA 0.098 4.217 4.120 -0.000 0.000 0.312 92 V C 0.350 176.459 176.094 0.024 0.000 1.058 92 V CA -0.359 61.986 62.300 0.075 0.000 0.952 92 V CB 1.883 33.761 31.823 0.091 0.000 1.019 92 V HN 0.928 nan 8.190 nan 0.000 0.445 93 H N 1.905 120.990 119.070 0.025 0.000 2.788 93 H HA 0.175 4.731 4.556 -0.000 0.000 0.262 93 H C -0.451 175.086 175.328 0.348 0.000 0.968 93 H CA 0.277 56.423 56.048 0.163 0.000 1.218 93 H CB 1.263 31.066 29.762 0.067 0.000 1.443 93 H HN 0.575 nan 8.280 nan 0.000 0.478 94 Y N 0.365 120.913 120.300 0.412 0.000 2.596 94 Y HA 0.481 5.031 4.550 -0.000 0.000 0.326 94 Y C 1.142 177.138 175.900 0.160 0.000 1.167 94 Y CA -0.089 58.156 58.100 0.241 0.000 1.246 94 Y CB 1.210 39.763 38.460 0.155 0.000 1.347 94 Y HN -0.053 nan 8.280 nan 0.000 0.515 95 A N 1.614 124.357 122.820 -0.130 0.000 1.861 95 A HA 0.171 4.491 4.320 -0.000 0.000 0.212 95 A C 0.183 177.776 177.584 0.016 0.000 1.199 95 A CA 0.841 52.847 52.037 -0.051 0.000 0.613 95 A CB -0.298 18.616 19.000 -0.143 0.000 0.846 95 A HN 0.446 nan 8.150 nan 0.000 0.446 96 I N 0.089 120.684 120.570 0.042 0.000 2.385 96 I HA 0.277 4.447 4.170 -0.000 0.000 0.294 96 I C -1.945 174.182 176.117 0.017 0.000 0.988 96 I CA -2.163 59.174 61.300 0.062 0.000 1.265 96 I CB 0.969 39.023 38.000 0.091 0.000 1.388 96 I HN 0.053 nan 8.210 nan 0.000 0.480 97 P HA 0.006 nan 4.420 nan 0.000 0.230 97 P C 1.214 178.531 177.300 0.029 0.000 1.168 97 P CA 0.784 63.873 63.100 -0.017 0.000 0.793 97 P CB 0.076 31.804 31.700 0.047 0.000 0.851 98 H N 1.052 120.175 119.070 0.088 0.000 2.375 98 H HA -0.221 4.335 4.556 -0.000 0.000 0.289 98 H C 1.911 177.267 175.328 0.047 0.000 1.121 98 H CA 1.805 57.879 56.048 0.043 0.000 1.207 98 H CB -1.480 28.300 29.762 0.030 0.000 1.355 98 H HN 0.136 nan 8.280 nan 0.000 0.486 99 A N 0.637 123.559 122.820 0.170 0.000 1.858 99 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 99 A C 2.719 180.375 177.584 0.120 0.000 1.190 99 A CA 1.762 53.861 52.037 0.104 0.000 0.617 99 A CB -0.789 18.241 19.000 0.049 0.000 0.827 99 A HN 0.264 nan 8.150 nan 0.000 0.443 100 I N -0.459 120.189 120.570 0.131 0.000 2.315 100 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 100 I C 2.478 178.717 176.117 0.204 0.000 1.117 100 I CA 1.002 62.418 61.300 0.193 0.000 1.404 100 I CB -0.377 37.723 38.000 0.167 0.000 1.071 100 I HN 0.400 nan 8.210 nan 0.000 0.419 101 C N 0.246 119.627 119.300 0.135 0.000 2.429 101 C HA -0.145 4.315 4.460 -0.000 0.000 0.277 101 C C 3.108 178.141 174.990 0.073 0.000 1.262 101 C CA 0.898 59.968 59.018 0.086 0.000 1.733 101 C CB -1.402 26.371 27.740 0.054 0.000 2.010 101 C HN 0.594 nan 8.230 nan 0.000 0.483 102 A N -0.922 121.951 122.820 0.087 0.000 1.969 102 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 102 A C 1.937 179.564 177.584 0.071 0.000 1.169 102 A CA 1.584 53.651 52.037 0.049 0.000 0.635 102 A CB -0.837 18.191 19.000 0.047 0.000 0.810 102 A HN 0.686 nan 8.150 nan 0.000 0.445 103 Y N 0.447 120.756 120.300 0.014 0.000 2.114 103 Y HA -0.166 4.384 4.550 -0.000 0.000 0.284 103 Y C 1.950 177.872 175.900 0.037 0.000 1.143 103 Y CA 1.780 59.894 58.100 0.023 0.000 1.135 103 Y CB -0.458 38.045 38.460 0.071 0.000 0.980 103 Y HN 0.204 nan 8.280 nan 0.000 0.499 104 L N -0.134 121.066 121.223 -0.039 0.000 2.013 104 L HA -0.306 4.034 4.340 -0.000 0.000 0.212 104 L C 2.802 179.579 176.870 -0.155 0.000 1.073 104 L CA 1.437 56.199 54.840 -0.130 0.000 0.753 104 L CB -1.108 40.958 42.059 0.011 0.000 0.890 104 L HN 0.419 nan 8.230 nan 0.000 0.432 105 A N -0.236 122.527 122.820 -0.094 0.000 1.892 105 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 105 A C 2.393 179.901 177.584 -0.126 0.000 1.188 105 A CA 2.226 54.206 52.037 -0.095 0.000 0.631 105 A CB -0.575 18.380 19.000 -0.075 0.000 0.822 105 A HN 0.335 nan 8.150 nan 0.000 0.447 106 K N -1.112 119.199 120.400 -0.147 0.000 2.009 106 K HA -0.216 4.104 4.320 -0.000 0.000 0.210 106 K C 2.280 178.768 176.600 -0.187 0.000 1.049 106 K CA 1.692 57.887 56.287 -0.152 0.000 0.929 106 K CB -0.210 32.206 32.500 -0.141 0.000 0.714 106 K HN 0.449 nan 8.250 nan 0.000 0.440 107 Q N 0.082 119.701 119.800 -0.302 0.000 2.135 107 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 107 Q C 2.059 177.964 176.000 -0.158 0.000 0.981 107 Q CA 1.541 57.183 55.803 -0.268 0.000 0.856 107 Q CB -0.246 28.254 28.738 -0.397 0.000 0.902 107 Q HN 0.453 nan 8.270 nan 0.000 0.425 108 M N 0.180 119.694 119.600 -0.143 0.000 2.229 108 M HA -0.060 4.420 4.480 -0.000 0.000 0.264 108 M C 1.674 177.925 176.300 -0.081 0.000 1.063 108 M CA 0.997 56.240 55.300 -0.094 0.000 1.114 108 M CB -0.060 32.492 32.600 -0.080 0.000 1.387 108 M HN 0.176 nan 8.290 nan 0.000 0.420 109 I N -3.137 117.379 120.570 -0.090 0.000 3.874 109 I HA 0.443 4.613 4.170 -0.000 0.000 0.331 109 I C 0.757 176.831 176.117 -0.071 0.000 1.489 109 I CA -0.059 61.195 61.300 -0.077 0.000 1.187 109 I CB -0.767 37.183 38.000 -0.084 0.000 1.150 109 I HN 0.371 nan 8.210 nan 0.000 0.412 110 G N 1.775 110.532 108.800 -0.070 0.000 2.179 110 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.257 110 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.257 110 G C 0.251 175.116 174.900 -0.059 0.000 1.010 110 G CA 0.484 45.549 45.100 -0.059 0.000 0.736 110 G HN 0.756 nan 8.290 nan 0.000 0.513 111 E N -2.299 117.856 120.200 -0.075 0.000 2.971 111 E HA -0.256 4.094 4.350 -0.000 0.000 0.278 111 E C 1.017 177.582 176.600 -0.058 0.000 1.009 111 E CA 0.972 57.332 56.400 -0.067 0.000 0.862 111 E CB -0.823 28.848 29.700 -0.049 0.000 1.436 111 E HN 0.792 nan 8.360 nan 0.000 0.434 112 R N 0.762 121.224 120.500 -0.063 0.000 4.263 112 R HA 0.311 4.651 4.340 -0.000 0.000 0.248 112 R C 0.189 176.446 176.300 -0.071 0.000 1.796 112 R CA 0.189 56.254 56.100 -0.060 0.000 1.518 112 R CB 0.195 30.460 30.300 -0.058 0.000 1.342 112 R HN 0.069 nan 8.270 nan 0.000 0.706 113 I N 0.432 120.959 120.570 -0.073 0.000 2.882 113 I HA 0.210 4.380 4.170 -0.000 0.000 0.298 113 I C -1.489 174.581 176.117 -0.077 0.000 1.462 113 I CA -0.823 60.425 61.300 -0.086 0.000 1.000 113 I CB 2.541 40.480 38.000 -0.101 0.000 1.340 113 I HN 0.022 nan 8.210 nan 0.000 0.462 114 K N 6.397 126.744 120.400 -0.089 0.000 2.235 114 K HA 0.583 4.903 4.320 -0.000 0.000 0.266 114 K C -0.751 175.798 176.600 -0.084 0.000 0.980 114 K CA -0.522 55.718 56.287 -0.077 0.000 0.849 114 K CB 1.734 34.189 32.500 -0.075 0.000 1.098 114 K HN 0.453 nan 8.250 nan 0.000 0.445 115 I N 2.691 123.226 120.570 -0.059 0.000 2.331 115 I HA 0.206 4.376 4.170 -0.000 0.000 0.292 115 I C -0.196 175.890 176.117 -0.051 0.000 0.998 115 I CA -0.983 60.288 61.300 -0.048 0.000 1.267 115 I CB 1.414 39.403 38.000 -0.018 0.000 1.386 115 I HN 0.018 nan 8.210 nan 0.000 0.476 116 V N 5.329 125.208 119.914 -0.057 0.000 2.378 116 V HA 0.342 4.462 4.120 -0.000 0.000 0.288 116 V C -0.033 176.060 176.094 -0.001 0.000 1.016 116 V CA -0.425 61.819 62.300 -0.092 0.000 0.840 116 V CB 1.684 33.356 31.823 -0.251 0.000 0.994 116 V HN 0.721 nan 8.190 nan 0.000 0.431 117 T N 3.373 117.922 114.554 -0.009 0.000 2.771 117 T HA 0.428 4.778 4.350 -0.000 0.000 0.281 117 T C 0.072 174.772 174.700 0.000 0.000 0.982 117 T CA -0.268 61.844 62.100 0.020 0.000 0.978 117 T CB 1.286 70.146 68.868 -0.014 0.000 0.930 117 T HN 0.622 nan 8.240 nan 0.000 0.447 118 T N 4.539 119.081 114.554 -0.019 0.000 2.771 118 T HA 0.531 4.881 4.350 -0.000 0.000 0.281 118 T C 0.204 174.863 174.700 -0.068 0.000 0.982 118 T CA -0.572 61.489 62.100 -0.066 0.000 0.978 118 T CB 0.429 69.205 68.868 -0.153 0.000 0.930 118 T HN 0.319 nan 8.240 nan 0.000 0.447 119 L N 3.481 124.613 121.223 -0.151 0.000 2.431 119 L HA 0.635 4.975 4.340 -0.000 0.000 0.260 119 L C 0.621 177.349 176.870 -0.236 0.000 1.098 119 L CA -0.924 53.832 54.840 -0.140 0.000 0.800 119 L CB 0.795 42.757 42.059 -0.162 0.000 1.210 119 L HN 0.622 nan 8.230 nan 0.000 0.465 120 H N -0.832 118.187 119.070 -0.085 0.000 3.110 120 H HA 0.139 4.695 4.556 -0.000 0.000 0.277 120 H C 0.573 175.909 175.328 0.013 0.000 1.571 120 H CA -0.027 56.031 56.048 0.017 0.000 1.206 120 H CB 1.173 31.032 29.762 0.161 0.000 1.852 120 H HN 0.634 nan 8.280 nan 0.000 0.629 121 G N -0.269 108.699 108.800 0.280 0.000 2.552 121 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 121 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 121 G C 1.331 176.311 174.900 0.134 0.000 1.240 121 G CA 2.206 47.414 45.100 0.180 0.000 0.796 121 G HN 0.601 nan 8.290 nan 0.000 0.568 122 T N 0.936 115.624 114.554 0.224 0.000 2.896 122 T HA -0.067 4.283 4.350 -0.000 0.000 0.263 122 T C 1.973 176.779 174.700 0.177 0.000 1.050 122 T CA 1.540 63.776 62.100 0.226 0.000 1.140 122 T CB -0.383 68.665 68.868 0.299 0.000 0.877 122 T HN 0.467 nan 8.240 nan 0.000 0.457 123 D N 1.649 122.044 120.400 -0.008 0.000 2.158 123 D HA -0.125 4.514 4.640 -0.000 0.000 0.197 123 D C 1.702 177.911 176.300 -0.152 0.000 0.995 123 D CA 0.981 54.760 54.000 -0.369 0.000 0.846 123 D CB -0.431 39.592 40.800 -1.295 0.000 0.941 123 D HN 0.402 nan 8.370 nan 0.000 0.456 124 I N 0.161 120.663 120.570 -0.113 0.000 2.899 124 I HA -0.074 4.096 4.170 -0.000 0.000 0.257 124 I C 2.405 178.513 176.117 -0.014 0.000 1.115 124 I CA 0.740 62.000 61.300 -0.067 0.000 1.451 124 I CB -0.603 37.349 38.000 -0.080 0.000 1.251 124 I HN -0.085 nan 8.210 nan 0.000 0.456 125 T N 0.158 114.719 114.554 0.011 0.000 2.544 125 T HA -0.255 4.095 4.350 -0.000 0.000 0.264 125 T C 1.884 176.608 174.700 0.040 0.000 1.096 125 T CA 2.452 64.573 62.100 0.035 0.000 1.181 125 T CB -0.574 68.329 68.868 0.059 0.000 0.864 125 T HN 0.228 nan 8.240 nan 0.000 0.415 126 V N 0.184 120.133 119.914 0.058 0.000 2.575 126 V HA 0.177 4.297 4.120 -0.000 0.000 0.242 126 V C 2.235 178.360 176.094 0.052 0.000 1.045 126 V CA 0.849 63.183 62.300 0.057 0.000 1.065 126 V CB -0.431 31.434 31.823 0.070 0.000 0.717 126 V HN 0.477 nan 8.190 nan 0.000 0.467 127 L N 0.881 122.142 121.223 0.064 0.000 1.994 127 L HA -0.009 4.331 4.340 -0.000 0.000 0.208 127 L C 2.715 179.601 176.870 0.028 0.000 1.071 127 L CA 1.891 56.764 54.840 0.055 0.000 0.745 127 L CB -1.290 40.815 42.059 0.076 0.000 0.892 127 L HN 0.490 nan 8.230 nan 0.000 0.431 128 G N -0.514 108.293 108.800 0.011 0.000 2.499 128 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.221 128 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.221 128 G C 1.781 176.687 174.900 0.009 0.000 1.109 128 G CA 1.169 46.270 45.100 0.000 0.000 0.749 128 G HN 0.521 nan 8.290 nan 0.000 0.568 129 S N 0.021 115.731 115.700 0.017 0.000 2.387 129 S HA -0.082 4.388 4.470 -0.000 0.000 0.226 129 S C 1.045 175.656 174.600 0.018 0.000 1.026 129 S CA 0.783 58.994 58.200 0.018 0.000 0.972 129 S CB -0.169 63.044 63.200 0.023 0.000 0.814 129 S HN 0.237 nan 8.310 nan 0.000 0.477 130 D N 3.745 124.157 120.400 0.020 0.000 2.363 130 D HA 0.177 4.817 4.640 -0.000 0.000 0.263 130 D C -1.122 175.187 176.300 0.016 0.000 1.258 130 D CA -2.086 51.925 54.000 0.019 0.000 0.907 130 D CB 1.468 42.281 40.800 0.021 0.000 1.107 130 D HN 0.174 nan 8.370 nan 0.000 0.495 131 P HA -0.176 nan 4.420 nan 0.000 0.219 131 P C 1.105 178.412 177.300 0.011 0.000 1.146 131 P CA 0.814 63.921 63.100 0.012 0.000 0.808 131 P CB 0.111 31.817 31.700 0.011 0.000 0.779 132 S N -1.041 114.666 115.700 0.012 0.000 2.555 132 S HA 0.012 4.482 4.470 -0.000 0.000 0.230 132 S C 1.513 176.120 174.600 0.011 0.000 0.978 132 S CA 0.418 58.624 58.200 0.011 0.000 0.934 132 S CB -0.927 62.280 63.200 0.013 0.000 0.766 132 S HN 0.166 nan 8.310 nan 0.000 0.533 133 L N -0.233 120.999 121.223 0.014 0.000 3.360 133 L HA 0.373 4.713 4.340 -0.000 0.000 0.303 133 L C 1.666 178.546 176.870 0.016 0.000 1.218 133 L CA -0.096 54.754 54.840 0.017 0.000 1.059 133 L CB -0.299 41.774 42.059 0.022 0.000 1.468 133 L HN 0.169 nan 8.230 nan 0.000 0.614 134 N N 2.176 120.883 118.700 0.013 0.000 2.006 134 N HA -0.222 4.518 4.740 -0.000 0.000 0.196 134 N C 1.767 177.286 175.510 0.016 0.000 1.057 134 N CA 2.397 55.453 53.050 0.011 0.000 0.853 134 N CB -0.004 38.489 38.487 0.010 0.000 1.051 134 N HN 0.411 nan 8.380 nan 0.000 0.423 135 N N 0.604 119.314 118.700 0.017 0.000 2.258 135 N HA -0.186 4.554 4.740 -0.000 0.000 0.187 135 N C 1.655 177.197 175.510 0.054 0.000 1.012 135 N CA 0.955 54.022 53.050 0.028 0.000 0.870 135 N CB -0.752 37.740 38.487 0.008 0.000 0.977 135 N HN 0.327 nan 8.380 nan 0.000 0.434 136 L N 0.744 121.990 121.223 0.039 0.000 2.072 136 L HA 0.163 4.503 4.340 -0.000 0.000 0.205 136 L C 2.310 179.227 176.870 0.080 0.000 1.079 136 L CA 1.038 55.914 54.840 0.061 0.000 0.752 136 L CB -0.532 41.547 42.059 0.035 0.000 0.906 136 L HN 0.118 nan 8.230 nan 0.000 0.436 137 I N -1.013 119.579 120.570 0.038 0.000 2.252 137 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 137 I C 2.686 178.799 176.117 -0.007 0.000 1.102 137 I CA 1.096 62.400 61.300 0.007 0.000 1.385 137 I CB -0.386 37.603 38.000 -0.018 0.000 1.064 137 I HN 0.289 nan 8.210 nan 0.000 0.414 138 R N 1.043 121.549 120.500 0.009 0.000 2.082 138 R HA -0.247 4.093 4.340 -0.000 0.000 0.234 138 R C 2.509 178.798 176.300 -0.018 0.000 1.136 138 R CA 2.039 58.135 56.100 -0.007 0.000 0.935 138 R CB -0.578 29.733 30.300 0.018 0.000 0.842 138 R HN 0.227 nan 8.270 nan 0.000 0.430 139 F N 0.875 120.768 119.950 -0.094 0.000 2.091 139 F HA -0.163 4.364 4.527 -0.000 0.000 0.299 139 F C 2.054 177.751 175.800 -0.172 0.000 1.103 139 F CA 2.110 60.025 58.000 -0.143 0.000 1.228 139 F CB -0.688 38.215 39.000 -0.161 0.000 0.984 139 F HN 0.196 nan 8.300 nan 0.000 0.477 140 G N 0.505 109.228 108.800 -0.129 0.000 2.418 140 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.217 140 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.217 140 G C 1.746 176.526 174.900 -0.200 0.000 1.158 140 G CA 1.237 46.237 45.100 -0.166 0.000 0.771 140 G HN 0.480 nan 8.290 nan 0.000 0.545 141 I N 0.558 121.033 120.570 -0.158 0.000 2.163 141 I HA -0.133 4.037 4.170 -0.000 0.000 0.240 141 I C 2.779 178.790 176.117 -0.178 0.000 1.081 141 I CA 1.295 62.508 61.300 -0.144 0.000 1.353 141 I CB -0.313 37.610 38.000 -0.128 0.000 1.054 141 I HN 0.257 nan 8.210 nan 0.000 0.407 142 E N 0.346 120.417 120.200 -0.215 0.000 2.160 142 E HA -0.251 4.099 4.350 -0.000 0.000 0.195 142 E C 2.016 178.449 176.600 -0.278 0.000 0.991 142 E CA 0.868 57.138 56.400 -0.217 0.000 0.810 142 E CB -0.088 29.489 29.700 -0.206 0.000 0.742 142 E HN 0.476 nan 8.360 nan 0.000 0.466 143 Q N 0.378 119.916 119.800 -0.437 0.000 2.389 143 Q HA 0.085 4.425 4.340 -0.000 0.000 0.204 143 Q C 0.656 176.557 176.000 -0.166 0.000 0.944 143 Q CA 0.291 55.853 55.803 -0.402 0.000 0.908 143 Q CB 0.336 28.615 28.738 -0.765 0.000 1.002 143 Q HN 0.062 nan 8.270 nan 0.000 0.493 144 S N 1.617 117.231 115.700 -0.143 0.000 2.585 144 S HA 0.060 4.530 4.470 -0.000 0.000 0.273 144 S C 0.733 175.293 174.600 -0.066 0.000 1.339 144 S CA -0.439 57.717 58.200 -0.073 0.000 1.028 144 S CB 0.864 64.022 63.200 -0.069 0.000 0.906 144 S HN 0.168 nan 8.310 nan 0.000 0.528 145 D N 0.291 120.662 120.400 -0.048 0.000 2.162 145 D HA 0.044 4.684 4.640 -0.000 0.000 0.203 145 D C 0.273 176.543 176.300 -0.050 0.000 0.967 145 D CA 1.114 55.087 54.000 -0.045 0.000 0.840 145 D CB 0.188 40.965 40.800 -0.038 0.000 0.972 145 D HN 0.223 nan 8.370 nan 0.000 0.482 146 V N 0.820 120.700 119.914 -0.056 0.000 2.841 146 V HA 0.414 4.533 4.120 -0.000 0.000 0.310 146 V C -0.278 175.774 176.094 -0.070 0.000 1.090 146 V CA -0.830 61.432 62.300 -0.062 0.000 0.930 146 V CB 3.012 34.798 31.823 -0.061 0.000 1.014 146 V HN -0.262 nan 8.190 nan 0.000 0.425 147 V N 2.586 122.454 119.914 -0.077 0.000 2.709 147 V HA 0.837 4.957 4.120 -0.000 0.000 0.308 147 V C -0.079 175.955 176.094 -0.099 0.000 1.062 147 V CA -0.277 61.973 62.300 -0.084 0.000 0.901 147 V CB 2.344 34.110 31.823 -0.094 0.000 1.003 147 V HN 1.099 nan 8.190 nan 0.000 0.425 148 T N 1.323 115.818 114.554 -0.098 0.000 2.901 148 T HA 0.952 5.302 4.350 -0.000 0.000 0.293 148 T C -0.574 174.022 174.700 -0.174 0.000 1.084 148 T CA -0.203 61.814 62.100 -0.138 0.000 1.008 148 T CB 2.287 71.089 68.868 -0.110 0.000 1.170 148 T HN 1.313 nan 8.240 nan 0.000 0.509 149 A N 0.735 123.407 122.820 -0.247 0.000 2.485 149 A HA 0.765 5.085 4.320 -0.000 0.000 0.292 149 A C 1.071 178.426 177.584 -0.381 0.000 1.147 149 A CA -0.274 51.590 52.037 -0.288 0.000 0.750 149 A CB 1.294 20.141 19.000 -0.255 0.000 1.331 149 A HN 1.696 nan 8.150 nan 0.000 0.419 150 V N -1.488 118.179 119.914 -0.413 0.000 3.406 150 V HA 0.359 4.479 4.120 -0.000 0.000 0.263 150 V C 0.581 176.301 176.094 -0.624 0.000 1.172 150 V CA 1.183 63.163 62.300 -0.532 0.000 1.140 150 V CB -1.123 30.386 31.823 -0.524 0.000 0.784 150 V HN 1.524 nan 8.190 nan 0.000 0.467 151 S N -2.159 113.282 115.700 -0.432 0.000 2.547 151 S HA 0.482 4.951 4.470 -0.000 0.000 0.270 151 S C 0.041 174.511 174.600 -0.216 0.000 1.150 151 S CA -0.299 57.748 58.200 -0.256 0.000 0.850 151 S CB 1.231 64.434 63.200 0.005 0.000 1.118 151 S HN 0.265 nan 8.310 nan 0.000 0.461 152 H N 1.116 120.166 119.070 -0.033 0.000 2.421 152 H HA 0.036 4.592 4.556 -0.000 0.000 0.298 152 H C 2.323 177.662 175.328 0.017 0.000 1.087 152 H CA 1.955 57.995 56.048 -0.013 0.000 1.330 152 H CB 0.023 29.805 29.762 0.034 0.000 1.388 152 H HN 0.602 nan 8.280 nan 0.000 0.526 153 S N -0.028 115.768 115.700 0.161 0.000 2.382 153 S HA -0.138 4.332 4.470 -0.000 0.000 0.228 153 S C 2.067 176.703 174.600 0.061 0.000 1.027 153 S CA 0.937 59.205 58.200 0.114 0.000 0.991 153 S CB -0.273 63.000 63.200 0.121 0.000 0.823 153 S HN 0.279 nan 8.310 nan 0.000 0.469 154 L N 1.832 123.065 121.223 0.017 0.000 2.027 154 L HA 0.152 4.492 4.340 -0.000 0.000 0.206 154 L C 2.021 178.864 176.870 -0.045 0.000 1.074 154 L CA 1.658 56.482 54.840 -0.027 0.000 0.745 154 L CB -0.690 41.322 42.059 -0.077 0.000 0.898 154 L HN 0.392 nan 8.230 nan 0.000 0.433 155 I N -0.365 120.174 120.570 -0.052 0.000 2.530 155 I HA -0.290 3.880 4.170 -0.000 0.000 0.257 155 I C 2.092 178.249 176.117 0.067 0.000 1.179 155 I CA 0.919 62.200 61.300 -0.033 0.000 1.440 155 I CB -0.507 37.488 38.000 -0.008 0.000 1.087 155 I HN 0.444 nan 8.210 nan 0.000 0.440 156 N N 0.417 119.162 118.700 0.075 0.000 2.220 156 N HA -0.111 4.629 4.740 -0.000 0.000 0.182 156 N C 1.723 177.275 175.510 0.071 0.000 1.023 156 N CA 0.860 53.970 53.050 0.100 0.000 0.856 156 N CB 0.121 38.660 38.487 0.086 0.000 0.997 156 N HN 0.296 nan 8.380 nan 0.000 0.429 157 E N 0.398 120.619 120.200 0.036 0.000 2.118 157 E HA -0.104 4.245 4.350 -0.000 0.000 0.195 157 E C 1.659 178.254 176.600 -0.008 0.000 0.992 157 E CA 1.004 57.416 56.400 0.020 0.000 0.804 157 E CB -0.241 29.468 29.700 0.014 0.000 0.741 157 E HN 0.350 nan 8.360 nan 0.000 0.458 158 T N 0.528 115.049 114.554 -0.055 0.000 2.674 158 T HA -0.124 4.226 4.350 -0.000 0.000 0.265 158 T C 1.622 176.240 174.700 -0.138 0.000 1.039 158 T CA 1.002 63.020 62.100 -0.137 0.000 1.150 158 T CB -0.251 68.465 68.868 -0.255 0.000 0.864 158 T HN 0.251 nan 8.240 nan 0.000 0.427 159 H N 0.558 119.618 119.070 -0.017 0.000 2.521 159 H HA 0.095 4.650 4.556 -0.000 0.000 0.286 159 H C 2.279 177.604 175.328 -0.006 0.000 1.034 159 H CA 0.873 56.913 56.048 -0.013 0.000 1.278 159 H CB 0.115 29.870 29.762 -0.012 0.000 1.386 159 H HN 0.544 nan 8.280 nan 0.000 0.567 160 E N 0.487 120.744 120.200 0.095 0.000 2.060 160 E HA -0.042 4.308 4.350 -0.000 0.000 0.189 160 E C 1.927 178.549 176.600 0.036 0.000 0.974 160 E CA 0.197 56.633 56.400 0.061 0.000 0.808 160 E CB 0.324 30.053 29.700 0.049 0.000 0.768 160 E HN 0.306 nan 8.360 nan 0.000 0.453 161 L N 0.048 121.283 121.223 0.019 0.000 2.145 161 L HA -0.003 4.337 4.340 -0.000 0.000 0.201 161 L C 2.416 179.287 176.870 0.003 0.000 1.075 161 L CA 0.342 55.188 54.840 0.010 0.000 0.773 161 L CB -0.146 41.916 42.059 0.004 0.000 0.936 161 L HN 0.026 nan 8.230 nan 0.000 0.451 162 V N -0.966 118.939 119.914 -0.015 0.000 2.535 162 V HA -0.063 4.057 4.120 -0.000 0.000 0.246 162 V C 0.807 176.897 176.094 -0.005 0.000 1.045 162 V CA 0.551 62.838 62.300 -0.022 0.000 1.058 162 V CB -0.499 31.290 31.823 -0.056 0.000 0.689 162 V HN 0.465 nan 8.190 nan 0.000 0.461 163 K N -0.223 120.183 120.400 0.011 0.000 3.244 163 K HA -0.141 4.178 4.320 -0.000 0.000 0.270 163 K C -2.370 174.263 176.600 0.055 0.000 1.016 163 K CA 0.322 56.648 56.287 0.065 0.000 0.754 163 K CB -1.484 31.047 32.500 0.052 0.000 1.326 163 K HN 0.470 nan 8.250 nan 0.000 0.465 164 P HA 0.045 nan 4.420 nan 0.000 0.277 164 P C -0.790 176.548 177.300 0.063 0.000 1.240 164 P CA -0.203 62.899 63.100 0.003 0.000 0.798 164 P CB 0.608 32.262 31.700 -0.077 0.000 0.979 165 N N 1.578 120.295 118.700 0.028 0.000 3.322 165 N HA 0.188 4.928 4.740 -0.000 0.000 0.290 165 N C -0.058 175.461 175.510 0.016 0.000 1.297 165 N CA -0.165 52.905 53.050 0.033 0.000 1.167 165 N CB 0.094 38.588 38.487 0.011 0.000 1.434 165 N HN 0.319 nan 8.380 nan 0.000 0.526 166 K N 0.431 120.858 120.400 0.044 0.000 2.556 166 K HA 0.284 4.604 4.320 -0.000 0.000 0.274 166 K C -2.016 174.618 176.600 0.058 0.000 0.966 166 K CA -0.692 55.601 56.287 0.010 0.000 0.865 166 K CB 1.482 33.956 32.500 -0.044 0.000 1.444 166 K HN -0.112 nan 8.250 nan 0.000 0.433 167 D N 2.164 122.576 120.400 0.021 0.000 2.210 167 D HA 0.364 5.004 4.640 -0.000 0.000 0.249 167 D C -0.357 175.941 176.300 -0.002 0.000 1.078 167 D CA 0.034 54.053 54.000 0.033 0.000 0.875 167 D CB 0.907 41.706 40.800 -0.000 0.000 1.175 167 D HN 0.395 nan 8.370 nan 0.000 0.440 168 I N 2.078 122.656 120.570 0.014 0.000 2.406 168 I HA 0.165 4.335 4.170 -0.000 0.000 0.290 168 I C 0.544 176.613 176.117 -0.081 0.000 0.999 168 I CA -0.734 60.530 61.300 -0.059 0.000 1.124 168 I CB 1.513 39.454 38.000 -0.097 0.000 1.289 168 I HN 0.026 nan 8.210 nan 0.000 0.441 169 Q N 3.295 123.020 119.800 -0.125 0.000 2.249 169 Q HA 0.476 4.815 4.340 -0.000 0.000 0.226 169 Q C -0.605 175.238 176.000 -0.262 0.000 0.983 169 Q CA -0.547 55.156 55.803 -0.166 0.000 0.930 169 Q CB 1.506 30.140 28.738 -0.173 0.000 1.193 169 Q HN 0.515 nan 8.270 nan 0.000 0.508 170 T N 0.765 115.110 114.554 -0.349 0.000 2.807 170 T HA 0.515 4.865 4.350 -0.000 0.000 0.279 170 T C -1.062 173.310 174.700 -0.548 0.000 0.993 170 T CA -0.543 61.225 62.100 -0.554 0.000 0.970 170 T CB 1.026 69.355 68.868 -0.898 0.000 0.950 170 T HN 0.260 nan 8.240 nan 0.000 0.441 171 V N 4.083 123.659 119.914 -0.563 0.000 2.532 171 V HA 0.337 4.457 4.120 -0.000 0.000 0.294 171 V C -1.005 174.878 176.094 -0.352 0.000 1.036 171 V CA -1.203 60.812 62.300 -0.475 0.000 0.876 171 V CB 0.720 32.157 31.823 -0.644 0.000 1.012 171 V HN 0.849 nan 8.190 nan 0.000 0.432 172 Y N 2.218 122.480 120.300 -0.063 0.000 2.330 172 Y HA 0.236 4.786 4.550 -0.000 0.000 0.341 172 Y C 1.171 177.175 175.900 0.174 0.000 1.278 172 Y CA 0.204 58.293 58.100 -0.019 0.000 1.453 172 Y CB 0.665 39.363 38.460 0.397 0.000 1.342 172 Y HN 0.607 nan 8.280 nan 0.000 0.590 173 N N 0.606 119.526 118.700 0.367 0.000 2.445 173 N HA 0.393 5.133 4.740 -0.000 0.000 0.264 173 N C -1.161 174.658 175.510 0.515 0.000 1.227 173 N CA -0.487 52.843 53.050 0.465 0.000 0.963 173 N CB 0.633 39.386 38.487 0.445 0.000 1.188 173 N HN 0.472 nan 8.380 nan 0.000 0.491 174 F N -1.469 118.631 119.950 0.251 0.000 2.691 174 F HA 0.772 5.299 4.527 -0.000 0.000 0.334 174 F C -1.156 174.688 175.800 0.073 0.000 1.107 174 F CA -1.159 56.945 58.000 0.174 0.000 0.991 174 F CB 1.004 40.123 39.000 0.198 0.000 1.400 174 F HN 0.061 nan 8.300 nan 0.000 0.503 175 I N 0.878 121.560 120.570 0.188 0.000 2.769 175 I HA 0.214 4.384 4.170 -0.000 0.000 0.298 175 I C -1.389 174.863 176.117 0.226 0.000 1.128 175 I CA -0.629 60.670 61.300 -0.002 0.000 1.031 175 I CB 1.761 39.632 38.000 -0.215 0.000 1.235 175 I HN 0.666 nan 8.210 nan 0.000 0.423 176 D N 4.220 124.762 120.400 0.237 0.000 2.374 176 D HA 0.146 4.786 4.640 -0.000 0.000 0.240 176 D C 1.131 177.659 176.300 0.379 0.000 1.229 176 D CA 0.160 54.357 54.000 0.328 0.000 0.895 176 D CB 0.731 41.717 40.800 0.310 0.000 1.046 176 D HN 0.413 nan 8.370 nan 0.000 0.498 177 E N 2.309 122.709 120.200 0.334 0.000 2.267 177 E HA -0.225 4.125 4.350 -0.000 0.000 0.197 177 E C 1.319 178.176 176.600 0.428 0.000 0.998 177 E CA 0.492 57.113 56.400 0.369 0.000 0.830 177 E CB 0.181 30.066 29.700 0.308 0.000 0.751 177 E HN 0.203 nan 8.360 nan 0.000 0.491 178 R N 0.474 121.183 120.500 0.348 0.000 2.357 178 R HA -0.037 4.303 4.340 -0.000 0.000 0.202 178 R C 1.280 177.854 176.300 0.457 0.000 1.047 178 R CA 0.463 56.753 56.100 0.316 0.000 1.034 178 R CB 0.161 30.593 30.300 0.221 0.000 0.875 178 R HN 0.042 nan 8.270 nan 0.000 0.473 179 V N -1.850 118.325 119.914 0.435 0.000 3.431 179 V HA 0.203 4.323 4.120 -0.000 0.000 0.255 179 V C -0.651 175.245 176.094 -0.330 0.000 1.403 179 V CA -0.085 62.295 62.300 0.133 0.000 1.101 179 V CB 0.245 32.107 31.823 0.065 0.000 0.891 179 V HN -0.050 nan 8.190 nan 0.000 0.446 180 Y N 1.969 122.282 120.300 0.021 0.000 2.464 180 Y HA 0.700 5.250 4.550 -0.000 0.000 0.326 180 Y C -0.445 175.502 175.900 0.079 0.000 0.969 180 Y CA -1.653 56.376 58.100 -0.119 0.000 1.270 180 Y CB 0.815 39.267 38.460 -0.014 0.000 1.103 180 Y HN 0.177 nan 8.280 nan 0.000 0.491 181 F N -1.140 118.887 119.950 0.129 0.000 2.640 181 F HA 0.545 5.072 4.527 -0.000 0.000 0.324 181 F C 0.655 176.502 175.800 0.078 0.000 1.077 181 F CA -1.944 56.118 58.000 0.104 0.000 0.965 181 F CB 1.252 40.296 39.000 0.074 0.000 1.351 181 F HN 0.017 nan 8.300 nan 0.000 0.487 182 K N 1.506 122.070 120.400 0.273 0.000 2.668 182 K HA 0.012 4.332 4.320 -0.000 0.000 0.204 182 K C 0.535 177.228 176.600 0.155 0.000 1.016 182 K CA -0.158 56.225 56.287 0.160 0.000 1.131 182 K CB -0.173 32.404 32.500 0.130 0.000 0.891 182 K HN 0.677 nan 8.250 nan 0.000 0.499 183 R N 1.880 122.512 120.500 0.220 0.000 2.817 183 R HA -0.068 4.272 4.340 -0.000 0.000 0.264 183 R C -0.625 175.724 176.300 0.082 0.000 1.009 183 R CA 0.553 56.767 56.100 0.191 0.000 1.133 183 R CB 0.087 30.536 30.300 0.249 0.000 1.013 183 R HN 0.029 nan 8.270 nan 0.000 0.453 184 D N 3.334 123.777 120.400 0.072 0.000 2.593 184 D HA 0.142 4.782 4.640 -0.000 0.000 0.251 184 D C 0.021 176.346 176.300 0.041 0.000 1.140 184 D CA -0.791 53.237 54.000 0.047 0.000 0.855 184 D CB 1.353 42.182 40.800 0.048 0.000 1.267 184 D HN 0.371 nan 8.370 nan 0.000 0.532 185 M N 2.523 122.140 119.600 0.030 0.000 3.690 185 M HA 0.095 4.575 4.480 -0.000 0.000 0.209 185 M C 1.407 177.734 176.300 0.045 0.000 1.403 185 M CA -0.240 55.081 55.300 0.036 0.000 1.621 185 M CB -0.694 31.926 32.600 0.034 0.000 1.056 185 M HN 0.488 nan 8.290 nan 0.000 0.593 186 T N 0.564 115.142 114.554 0.041 0.000 2.833 186 T HA -0.144 4.206 4.350 -0.000 0.000 0.269 186 T C 1.591 176.317 174.700 0.043 0.000 1.054 186 T CA 1.803 63.926 62.100 0.039 0.000 1.135 186 T CB 0.228 69.116 68.868 0.033 0.000 0.869 186 T HN 0.620 nan 8.240 nan 0.000 0.466 187 Q N -0.248 119.577 119.800 0.041 0.000 2.230 187 Q HA 0.045 4.385 4.340 -0.000 0.000 0.202 187 Q C 2.142 178.169 176.000 0.046 0.000 0.963 187 Q CA 0.865 56.689 55.803 0.036 0.000 0.866 187 Q CB -0.133 28.621 28.738 0.028 0.000 0.931 187 Q HN 0.378 nan 8.270 nan 0.000 0.452 188 L N 0.954 122.217 121.223 0.068 0.000 2.179 188 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 188 L C 1.590 178.574 176.870 0.189 0.000 1.096 188 L CA 1.648 56.557 54.840 0.115 0.000 0.779 188 L CB -0.050 42.096 42.059 0.144 0.000 0.922 188 L HN -0.062 nan 8.230 nan 0.000 0.443 189 K N -0.600 119.886 120.400 0.143 0.000 2.103 189 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 189 K C 2.138 178.818 176.600 0.133 0.000 1.048 189 K CA 1.161 57.534 56.287 0.143 0.000 0.930 189 K CB -0.222 32.324 32.500 0.077 0.000 0.716 189 K HN 0.117 nan 8.250 nan 0.000 0.444 190 K N 1.464 121.915 120.400 0.084 0.000 2.026 190 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 190 K C 1.994 178.615 176.600 0.035 0.000 1.048 190 K CA 1.447 57.765 56.287 0.052 0.000 0.929 190 K CB -0.037 32.482 32.500 0.032 0.000 0.713 190 K HN 0.177 nan 8.250 nan 0.000 0.439 191 E N -0.983 119.224 120.200 0.012 0.000 2.333 191 E HA -0.171 4.179 4.350 -0.000 0.000 0.198 191 E C 0.945 177.440 176.600 -0.176 0.000 1.007 191 E CA 0.980 57.328 56.400 -0.086 0.000 0.845 191 E CB 0.068 29.690 29.700 -0.130 0.000 0.766 191 E HN 0.278 nan 8.360 nan 0.000 0.507 192 Y N -1.300 119.006 120.300 0.010 0.000 2.458 192 Y HA 0.258 4.808 4.550 -0.000 0.000 0.256 192 Y C 1.355 177.266 175.900 0.019 0.000 1.159 192 Y CA 0.495 58.603 58.100 0.014 0.000 1.261 192 Y CB 1.351 39.818 38.460 0.011 0.000 1.119 192 Y HN 0.116 nan 8.280 nan 0.000 0.524 193 G N 1.352 110.227 108.800 0.125 0.000 2.137 193 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.237 193 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.237 193 G C -0.014 174.939 174.900 0.088 0.000 1.002 193 G CA 0.319 45.472 45.100 0.089 0.000 0.702 193 G HN 0.373 nan 8.290 nan 0.000 0.515 194 I N 0.329 120.957 120.570 0.097 0.000 2.562 194 I HA 0.645 4.815 4.170 -0.000 0.000 0.301 194 I C 1.118 177.269 176.117 0.055 0.000 1.003 194 I CA -0.276 61.069 61.300 0.075 0.000 1.127 194 I CB 1.483 39.530 38.000 0.078 0.000 1.304 194 I HN 0.246 nan 8.210 nan 0.000 0.446 200 I N 3.285 123.884 120.570 0.047 0.000 2.389 200 I HA 0.315 4.485 4.170 -0.000 0.000 0.288 200 I C -0.792 175.350 176.117 0.042 0.000 0.999 200 I CA -1.120 60.202 61.300 0.036 0.000 1.129 200 I CB 1.239 39.239 38.000 -0.001 0.000 1.288 200 I HN 0.256 nan 8.210 nan 0.000 0.444 201 L N 7.610 128.849 121.223 0.027 0.000 2.298 201 L HA 0.482 4.822 4.340 -0.000 0.000 0.284 201 L C -0.373 176.449 176.870 -0.081 0.000 1.013 201 L CA -0.175 54.669 54.840 0.007 0.000 0.824 201 L CB 1.426 43.521 42.059 0.060 0.000 1.221 201 L HN 0.435 nan 8.230 nan 0.000 0.418 202 I N 3.360 123.902 120.570 -0.046 0.000 2.441 202 I HA 0.375 4.545 4.170 -0.000 0.000 0.295 202 I C -1.215 174.899 176.117 -0.005 0.000 0.994 202 I CA -0.498 60.766 61.300 -0.060 0.000 1.144 202 I CB 1.639 39.602 38.000 -0.061 0.000 1.314 202 I HN 0.739 nan 8.210 nan 0.000 0.445 203 H N 6.990 125.986 119.070 -0.122 0.000 2.782 203 H HA 0.605 5.161 4.556 -0.000 0.000 0.347 203 H C -1.688 173.597 175.328 -0.071 0.000 1.038 203 H CA -0.503 55.478 56.048 -0.111 0.000 1.255 203 H CB 1.385 31.050 29.762 -0.162 0.000 1.623 203 H HN 0.437 nan 8.280 nan 0.000 0.525 204 I N 5.073 125.217 120.570 -0.710 0.000 2.436 204 I HA 0.507 4.677 4.170 -0.000 0.000 0.289 204 I C -0.431 175.339 176.117 -0.578 0.000 1.010 204 I CA -0.465 60.538 61.300 -0.496 0.000 1.098 204 I CB 1.545 39.416 38.000 -0.215 0.000 1.266 204 I HN 0.775 nan 8.210 nan 0.000 0.434 205 S N 3.113 118.618 115.700 -0.325 0.000 2.661 205 S HA 0.332 4.802 4.470 -0.000 0.000 0.268 205 S C -0.639 174.047 174.600 0.143 0.000 1.162 205 S CA -0.887 57.246 58.200 -0.111 0.000 0.817 205 S CB 1.397 64.537 63.200 -0.100 0.000 1.141 205 S HN 0.645 nan 8.310 nan 0.000 0.477 206 N N -0.250 118.541 118.700 0.153 0.000 2.320 206 N HA 0.262 5.002 4.740 -0.000 0.000 0.237 206 N C -0.410 175.314 175.510 0.357 0.000 1.129 206 N CA -0.594 52.587 53.050 0.218 0.000 0.854 206 N CB -0.973 37.577 38.487 0.106 0.000 1.083 206 N HN 0.556 nan 8.380 nan 0.000 0.504 207 F N 0.054 120.069 119.950 0.108 0.000 2.925 207 F HA -0.315 4.212 4.527 -0.000 0.000 0.239 207 F C 0.536 176.396 175.800 0.101 0.000 1.009 207 F CA 0.527 58.609 58.000 0.136 0.000 0.847 207 F CB -1.521 37.603 39.000 0.206 0.000 0.719 207 F HN 0.250 nan 8.300 nan 0.000 0.826 208 R N -0.055 120.539 120.500 0.157 0.000 2.674 208 R HA 0.361 4.700 4.340 -0.000 0.000 0.266 208 R C 1.450 177.786 176.300 0.061 0.000 1.016 208 R CA -0.956 55.208 56.100 0.106 0.000 1.062 208 R CB 0.944 31.292 30.300 0.080 0.000 1.142 208 R HN 0.161 nan 8.270 nan 0.000 0.517 209 K N 0.320 120.752 120.400 0.052 0.000 2.147 209 K HA -0.107 4.213 4.320 -0.000 0.000 0.205 209 K C 1.728 178.339 176.600 0.018 0.000 1.049 209 K CA 1.134 57.439 56.287 0.031 0.000 0.936 209 K CB -0.045 32.475 32.500 0.032 0.000 0.722 209 K HN 0.270 nan 8.250 nan 0.000 0.446 210 V N 1.754 121.683 119.914 0.026 0.000 2.626 210 V HA -0.179 3.941 4.120 -0.000 0.000 0.252 210 V C 1.857 177.960 176.094 0.015 0.000 1.067 210 V CA 1.418 63.732 62.300 0.024 0.000 1.081 210 V CB -0.446 31.399 31.823 0.036 0.000 0.686 210 V HN 0.196 nan 8.190 nan 0.000 0.468 211 K N -0.123 120.283 120.400 0.011 0.000 2.365 211 K HA 0.032 4.352 4.320 -0.000 0.000 0.199 211 K C 0.653 177.223 176.600 -0.050 0.000 1.045 211 K CA 0.064 56.352 56.287 0.001 0.000 0.962 211 K CB -0.195 32.311 32.500 0.010 0.000 0.759 211 K HN 0.337 nan 8.250 nan 0.000 0.469 212 R N 0.222 120.687 120.500 -0.058 0.000 3.264 212 R HA -0.123 4.217 4.340 -0.000 0.000 0.251 212 R C 0.907 177.108 176.300 -0.164 0.000 0.971 212 R CA 0.411 56.462 56.100 -0.082 0.000 0.658 212 R CB -2.988 27.276 30.300 -0.061 0.000 1.095 212 R HN 0.037 nan 8.270 nan 0.000 0.443 213 V N 0.136 119.916 119.914 -0.223 0.000 2.720 213 V HA -0.323 3.797 4.120 -0.000 0.000 0.256 213 V C 2.309 178.243 176.094 -0.267 0.000 1.082 213 V CA 2.297 64.370 62.300 -0.379 0.000 1.101 213 V CB -0.225 31.269 31.823 -0.548 0.000 0.693 213 V HN 0.415 nan 8.190 nan 0.000 0.479 214 Q N 0.482 120.191 119.800 -0.150 0.000 2.096 214 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 214 Q C 1.896 177.840 176.000 -0.093 0.000 0.982 214 Q CA 1.965 57.714 55.803 -0.090 0.000 0.850 214 Q CB -0.542 28.168 28.738 -0.047 0.000 0.901 214 Q HN 0.563 nan 8.270 nan 0.000 0.422 215 D N -0.057 120.280 120.400 -0.104 0.000 2.178 215 D HA -0.093 4.547 4.640 -0.000 0.000 0.201 215 D C 1.863 178.097 176.300 -0.111 0.000 0.980 215 D CA 0.898 54.845 54.000 -0.087 0.000 0.842 215 D CB -0.063 40.691 40.800 -0.077 0.000 0.948 215 D HN 0.111 nan 8.370 nan 0.000 0.472 216 V N 0.585 120.377 119.914 -0.202 0.000 2.515 216 V HA -0.165 3.955 4.120 -0.000 0.000 0.250 216 V C 2.559 178.573 176.094 -0.132 0.000 1.058 216 V CA 0.858 63.013 62.300 -0.242 0.000 1.064 216 V CB -0.271 31.234 31.823 -0.530 0.000 0.675 216 V HN 0.063 nan 8.190 nan 0.000 0.461 217 V N -0.712 119.133 119.914 -0.116 0.000 2.302 217 V HA -0.181 3.939 4.120 -0.000 0.000 0.243 217 V C 2.603 178.733 176.094 0.060 0.000 1.036 217 V CA 1.486 63.777 62.300 -0.015 0.000 1.020 217 V CB -0.591 31.215 31.823 -0.029 0.000 0.657 217 V HN 0.460 nan 8.190 nan 0.000 0.453 218 Q N 0.350 120.157 119.800 0.013 0.000 2.062 218 Q HA -0.254 4.086 4.340 -0.000 0.000 0.209 218 Q C 2.428 178.440 176.000 0.020 0.000 0.996 218 Q CA 2.298 58.109 55.803 0.015 0.000 0.859 218 Q CB -0.945 27.790 28.738 -0.007 0.000 0.920 218 Q HN 0.638 nan 8.270 nan 0.000 0.415 219 A N 0.072 122.902 122.820 0.016 0.000 1.940 219 A HA -0.174 4.145 4.320 -0.000 0.000 0.219 219 A C 1.975 179.592 177.584 0.056 0.000 1.176 219 A CA 1.344 53.392 52.037 0.018 0.000 0.631 219 A CB -0.858 18.146 19.000 0.007 0.000 0.814 219 A HN 0.385 nan 8.150 nan 0.000 0.446 220 F N 0.546 120.460 119.950 -0.060 0.000 2.206 220 F HA 0.047 4.574 4.527 -0.000 0.000 0.298 220 F C 2.488 178.269 175.800 -0.032 0.000 1.090 220 F CA 0.989 58.959 58.000 -0.049 0.000 1.323 220 F CB -0.112 38.850 39.000 -0.063 0.000 1.028 220 F HN 0.263 nan 8.300 nan 0.000 0.492 221 A N 0.614 123.436 122.820 0.004 0.000 1.908 221 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 221 A C 2.172 179.676 177.584 -0.133 0.000 1.181 221 A CA 2.060 54.059 52.037 -0.063 0.000 0.627 221 A CB -0.553 18.456 19.000 0.017 0.000 0.818 221 A HN 0.477 nan 8.150 nan 0.000 0.445 222 K N -0.691 119.649 120.400 -0.100 0.000 2.005 222 K HA 0.105 4.425 4.320 -0.000 0.000 0.206 222 K C 1.889 178.405 176.600 -0.141 0.000 1.044 222 K CA 0.972 57.201 56.287 -0.096 0.000 0.942 222 K CB -0.377 32.088 32.500 -0.058 0.000 0.727 222 K HN 0.357 nan 8.250 nan 0.000 0.439 223 I N 1.951 122.432 120.570 -0.149 0.000 2.502 223 I HA -0.211 3.958 4.170 -0.000 0.000 0.258 223 I C 1.913 177.877 176.117 -0.255 0.000 1.172 223 I CA 1.257 62.464 61.300 -0.156 0.000 1.430 223 I CB -0.200 37.751 38.000 -0.081 0.000 1.086 223 I HN -0.015 nan 8.210 nan 0.000 0.440 224 V N 0.942 120.605 119.914 -0.418 0.000 2.649 224 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 224 V C 2.621 178.576 176.094 -0.231 0.000 1.054 224 V CA 1.987 64.017 62.300 -0.450 0.000 1.073 224 V CB -0.372 31.035 31.823 -0.693 0.000 0.699 224 V HN 0.682 nan 8.190 nan 0.000 0.463 225 T N -2.367 112.081 114.554 -0.176 0.000 2.833 225 T HA -0.189 4.161 4.350 -0.000 0.000 0.269 225 T C 1.443 176.090 174.700 -0.088 0.000 1.054 225 T CA 1.875 63.909 62.100 -0.110 0.000 1.135 225 T CB -0.313 68.504 68.868 -0.085 0.000 0.869 225 T HN 0.646 nan 8.240 nan 0.000 0.466 226 E N -0.069 120.075 120.200 -0.092 0.000 2.498 226 E HA 0.346 4.696 4.350 -0.000 0.000 0.203 226 E C -0.539 176.023 176.600 -0.063 0.000 1.013 226 E CA -0.125 56.235 56.400 -0.067 0.000 0.927 226 E CB 1.191 30.856 29.700 -0.058 0.000 1.012 226 E HN 0.319 nan 8.360 nan 0.000 0.482 227 V N 2.377 122.242 119.914 -0.082 0.000 2.891 227 V HA 0.041 4.161 4.120 -0.000 0.000 0.304 227 V C -1.103 174.945 176.094 -0.076 0.000 1.171 227 V CA -1.180 61.082 62.300 -0.064 0.000 0.943 227 V CB 2.343 34.136 31.823 -0.050 0.000 1.037 227 V HN 0.137 nan 8.190 nan 0.000 0.427 228 D N 3.764 124.139 120.400 -0.042 0.000 2.339 228 D HA 0.644 5.284 4.640 -0.000 0.000 0.241 228 D C -0.337 175.968 176.300 0.009 0.000 1.183 228 D CA -0.009 53.975 54.000 -0.026 0.000 0.859 228 D CB 1.896 42.691 40.800 -0.008 0.000 1.067 228 D HN 0.826 nan 8.370 nan 0.000 0.484 229 A N 1.408 124.251 122.820 0.037 0.000 2.604 229 A HA 0.700 5.020 4.320 -0.000 0.000 0.295 229 A C -0.639 177.149 177.584 0.341 0.000 1.067 229 A CA -0.691 51.432 52.037 0.145 0.000 0.683 229 A CB 1.395 20.493 19.000 0.164 0.000 1.281 229 A HN 0.818 nan 8.150 nan 0.000 0.407 230 K N 0.134 120.708 120.400 0.290 0.000 2.156 230 K HA 0.828 5.148 4.320 -0.000 0.000 0.250 230 K C -0.995 175.576 176.600 -0.048 0.000 0.955 230 K CA -0.477 55.963 56.287 0.254 0.000 0.855 230 K CB 1.420 33.976 32.500 0.094 0.000 1.101 230 K HN 1.717 nan 8.250 nan 0.000 0.434 231 L N 1.867 122.761 121.223 -0.548 0.000 2.287 231 L HA 0.520 4.859 4.340 -0.000 0.000 0.287 231 L C -0.832 175.767 176.870 -0.452 0.000 1.022 231 L CA -0.842 53.497 54.840 -0.835 0.000 0.814 231 L CB 0.991 42.054 42.059 -1.660 0.000 1.217 231 L HN 0.661 nan 8.230 nan 0.000 0.420 232 L N 6.639 127.680 121.223 -0.304 0.000 2.261 232 L HA 0.339 4.679 4.340 -0.000 0.000 0.289 232 L C -0.468 176.292 176.870 -0.183 0.000 1.059 232 L CA -0.168 54.536 54.840 -0.226 0.000 0.816 232 L CB 0.660 42.602 42.059 -0.194 0.000 1.191 232 L HN 0.530 nan 8.230 nan 0.000 0.431 233 L N 5.395 126.502 121.223 -0.194 0.000 2.314 233 L HA 0.328 4.667 4.340 -0.000 0.000 0.275 233 L C -0.237 176.700 176.870 0.112 0.000 1.068 233 L CA -0.520 54.295 54.840 -0.041 0.000 0.894 233 L CB 1.144 43.093 42.059 -0.184 0.000 1.275 233 L HN 0.307 nan 8.230 nan 0.000 0.432 234 V N 2.660 122.625 119.914 0.085 0.000 2.583 234 V HA 0.789 4.909 4.120 -0.000 0.000 0.287 234 V C 0.762 176.975 176.094 0.197 0.000 1.051 234 V CA 0.093 62.441 62.300 0.079 0.000 1.010 234 V CB 1.020 32.836 31.823 -0.012 0.000 0.988 234 V HN 0.968 nan 8.190 nan 0.000 0.478 235 G N 3.795 112.677 108.800 0.137 0.000 2.497 235 G HA2 0.241 4.201 3.960 -0.000 0.000 0.686 235 G HA3 0.241 4.201 3.960 -0.000 0.000 0.686 235 G C -1.494 173.345 174.900 -0.102 0.000 1.288 235 G CA -0.229 44.959 45.100 0.147 0.000 0.899 235 G HN 0.960 nan 8.290 nan 0.000 0.608 236 D N -0.946 119.389 120.400 -0.108 0.000 2.837 236 D HA 0.797 5.437 4.640 -0.000 0.000 0.220 236 D C 0.293 176.562 176.300 -0.052 0.000 1.236 236 D CA 1.245 55.067 54.000 -0.297 0.000 0.838 236 D CB 1.504 42.099 40.800 -0.342 0.000 1.647 236 D HN 1.595 nan 8.370 nan 0.000 0.486 237 G N 1.712 110.528 108.800 0.026 0.000 2.489 237 G HA2 0.377 4.337 3.960 -0.000 0.000 0.305 237 G HA3 0.377 4.337 3.960 -0.000 0.000 0.305 237 G C -2.263 172.743 174.900 0.176 0.000 1.311 237 G CA -0.721 44.466 45.100 0.145 0.000 0.813 237 G HN 0.352 nan 8.290 nan 0.000 0.480 238 P HA -0.054 nan 4.420 nan 0.000 0.214 238 P C 1.174 178.589 177.300 0.192 0.000 1.163 238 P CA 1.091 64.271 63.100 0.134 0.000 0.889 238 P CB 0.267 32.025 31.700 0.097 0.000 0.790 239 E N -1.741 118.602 120.200 0.239 0.000 2.461 239 E HA -0.071 4.279 4.350 -0.000 0.000 0.196 239 E C 1.358 178.171 176.600 0.355 0.000 1.129 239 E CA 0.087 56.633 56.400 0.243 0.000 0.902 239 E CB -0.869 28.946 29.700 0.192 0.000 0.963 239 E HN 0.339 nan 8.360 nan 0.000 0.503 240 F N 0.564 120.648 119.950 0.223 0.000 2.075 240 F HA -0.277 4.250 4.527 -0.000 0.000 0.297 240 F C 2.202 178.072 175.800 0.117 0.000 1.113 240 F CA 1.452 59.554 58.000 0.170 0.000 1.218 240 F CB -0.227 38.727 39.000 -0.077 0.000 0.984 240 F HN 0.074 nan 8.300 nan 0.000 0.472 241 C N -0.007 119.435 119.300 0.238 0.000 2.413 241 C HA -0.193 4.267 4.460 -0.000 0.000 0.276 241 C C 2.679 177.676 174.990 0.011 0.000 1.248 241 C CA 1.696 60.771 59.018 0.096 0.000 1.742 241 C CB -1.575 26.231 27.740 0.110 0.000 2.017 241 C HN 0.572 nan 8.230 nan 0.000 0.481 242 T N 1.637 116.224 114.554 0.055 0.000 2.684 242 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 242 T C 1.678 176.395 174.700 0.028 0.000 1.036 242 T CA 1.313 63.437 62.100 0.040 0.000 1.148 242 T CB -0.226 68.676 68.868 0.058 0.000 0.863 242 T HN 0.307 nan 8.240 nan 0.000 0.436 243 I N 0.854 121.455 120.570 0.052 0.000 2.315 243 I HA -0.032 4.138 4.170 -0.000 0.000 0.248 243 I C 2.279 178.446 176.117 0.083 0.000 1.117 243 I CA 0.825 62.177 61.300 0.087 0.000 1.404 243 I CB -1.280 36.847 38.000 0.212 0.000 1.071 243 I HN 0.209 nan 8.210 nan 0.000 0.419 244 L N 0.815 121.963 121.223 -0.125 0.000 2.056 244 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 244 L C 2.498 179.297 176.870 -0.120 0.000 1.078 244 L CA 1.782 56.437 54.840 -0.308 0.000 0.749 244 L CB -0.829 40.892 42.059 -0.564 0.000 0.901 244 L HN 0.169 nan 8.230 nan 0.000 0.433 245 Q N -0.849 118.909 119.800 -0.069 0.000 2.119 245 Q HA -0.184 4.156 4.340 -0.000 0.000 0.201 245 Q C 2.060 178.052 176.000 -0.012 0.000 0.972 245 Q CA 1.865 57.645 55.803 -0.037 0.000 0.847 245 Q CB -0.473 28.254 28.738 -0.018 0.000 0.903 245 Q HN 0.502 nan 8.270 nan 0.000 0.433 246 L N -0.368 120.864 121.223 0.013 0.000 1.988 246 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 246 L C 2.281 179.179 176.870 0.047 0.000 1.071 246 L CA 1.958 56.816 54.840 0.030 0.000 0.744 246 L CB -0.896 41.185 42.059 0.037 0.000 0.893 246 L HN 0.299 nan 8.230 nan 0.000 0.433 247 V N -2.600 117.370 119.914 0.094 0.000 2.660 247 V HA -0.296 3.824 4.120 -0.000 0.000 0.257 247 V C 2.495 178.623 176.094 0.057 0.000 1.088 247 V CA 2.117 64.491 62.300 0.124 0.000 1.106 247 V CB -1.160 30.816 31.823 0.255 0.000 0.686 247 V HN 0.522 nan 8.190 nan 0.000 0.481 248 K N 2.298 122.700 120.400 0.003 0.000 1.984 248 K HA -0.124 4.196 4.320 -0.000 0.000 0.209 248 K C 1.540 178.040 176.600 -0.166 0.000 1.046 248 K CA 1.787 58.031 56.287 -0.072 0.000 0.934 248 K CB -0.216 32.241 32.500 -0.071 0.000 0.717 248 K HN 0.796 nan 8.250 nan 0.000 0.438 249 N N 0.308 118.942 118.700 -0.110 0.000 2.346 249 N HA 0.013 4.753 4.740 -0.000 0.000 0.225 249 N C 0.256 175.756 175.510 -0.017 0.000 1.144 249 N CA 0.167 53.142 53.050 -0.126 0.000 0.837 249 N CB 0.662 39.131 38.487 -0.029 0.000 1.069 249 N HN 0.073 nan 8.380 nan 0.000 0.487 250 L N -1.038 120.177 121.223 -0.014 0.000 2.966 250 L HA 0.282 4.622 4.340 -0.000 0.000 0.262 250 L C -0.353 176.651 176.870 0.223 0.000 1.165 250 L CA -0.208 54.715 54.840 0.140 0.000 0.978 250 L CB -0.558 41.558 42.059 0.094 0.000 1.337 250 L HN 0.229 nan 8.230 nan 0.000 0.563 251 H N -1.524 117.570 119.070 0.040 0.000 2.776 251 H HA -0.196 4.360 4.556 -0.000 0.000 0.300 251 H C 0.886 176.246 175.328 0.053 0.000 1.161 251 H CA 1.292 57.363 56.048 0.039 0.000 1.147 251 H CB -1.972 27.804 29.762 0.023 0.000 1.366 251 H HN 0.358 nan 8.280 nan 0.000 0.397 252 I N -1.471 119.178 120.570 0.132 0.000 4.154 252 I HA 0.033 4.203 4.170 -0.000 0.000 0.334 252 I C 2.168 178.379 176.117 0.157 0.000 1.371 252 I CA -0.136 61.258 61.300 0.157 0.000 1.110 252 I CB 0.195 38.317 38.000 0.202 0.000 1.085 252 I HN 0.162 nan 8.210 nan 0.000 0.398 253 E N 2.766 123.032 120.200 0.110 0.000 2.136 253 E HA -0.276 4.074 4.350 -0.000 0.000 0.202 253 E C 0.718 177.394 176.600 0.127 0.000 1.019 253 E CA 2.219 58.683 56.400 0.107 0.000 0.819 253 E CB -0.012 29.709 29.700 0.035 0.000 0.739 253 E HN 0.682 nan 8.360 nan 0.000 0.458 254 D N -1.360 119.107 120.400 0.111 0.000 2.370 254 D HA 0.017 4.657 4.640 -0.000 0.000 0.230 254 D C 0.891 177.265 176.300 0.125 0.000 1.143 254 D CA 0.023 54.087 54.000 0.107 0.000 0.834 254 D CB -0.147 40.705 40.800 0.087 0.000 0.944 254 D HN 0.016 nan 8.370 nan 0.000 0.504 255 R N -0.394 120.200 120.500 0.156 0.000 2.566 255 R HA 0.299 4.639 4.340 -0.000 0.000 0.388 255 R C -0.919 175.463 176.300 0.136 0.000 0.989 255 R CA -0.157 56.057 56.100 0.191 0.000 1.164 255 R CB 1.683 32.157 30.300 0.289 0.000 1.459 255 R HN 0.021 nan 8.270 nan 0.000 0.553 256 V N 1.641 121.599 119.914 0.073 0.000 2.638 256 V HA 0.313 4.433 4.120 -0.000 0.000 0.306 256 V C -1.006 175.085 176.094 -0.005 0.000 1.052 256 V CA -0.719 61.523 62.300 -0.096 0.000 0.885 256 V CB 2.443 34.212 31.823 -0.091 0.000 0.999 256 V HN 0.041 nan 8.190 nan 0.000 0.424 257 L N 5.705 126.869 121.223 -0.098 0.000 2.589 257 L HA 0.487 4.827 4.340 -0.000 0.000 0.244 257 L C -0.193 176.727 176.870 0.083 0.000 1.159 257 L CA 0.042 54.912 54.840 0.049 0.000 1.074 257 L CB -0.198 41.868 42.059 0.011 0.000 1.391 257 L HN 0.425 nan 8.230 nan 0.000 0.423 258 F N 1.732 121.716 119.950 0.057 0.000 2.593 258 F HA -0.100 4.427 4.527 -0.000 0.000 0.393 258 F C 1.203 177.064 175.800 0.101 0.000 1.037 258 F CA 0.144 58.207 58.000 0.105 0.000 1.195 258 F CB 0.354 39.447 39.000 0.154 0.000 1.034 258 F HN 0.238 nan 8.300 nan 0.000 0.552 259 L N 3.310 124.652 121.223 0.198 0.000 2.693 259 L HA 0.339 4.679 4.340 -0.000 0.000 0.235 259 L C 1.122 178.058 176.870 0.110 0.000 1.127 259 L CA 0.523 55.448 54.840 0.143 0.000 0.914 259 L CB -0.568 41.533 42.059 0.069 0.000 1.193 259 L HN 0.894 nan 8.230 nan 0.000 0.502 260 G N 0.923 109.800 108.800 0.127 0.000 2.804 260 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.230 260 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.230 260 G C -0.068 174.824 174.900 -0.013 0.000 1.386 260 G CA -0.058 45.045 45.100 0.005 0.000 0.875 260 G HN 0.482 nan 8.290 nan 0.000 0.557 261 K N 0.330 120.693 120.400 -0.061 0.000 2.349 261 K HA 0.548 4.868 4.320 -0.000 0.000 0.289 261 K C 0.194 176.782 176.600 -0.020 0.000 1.064 261 K CA -0.353 55.915 56.287 -0.031 0.000 0.947 261 K CB 1.093 33.566 32.500 -0.046 0.000 1.007 261 K HN 0.497 nan 8.250 nan 0.000 0.478 262 Q N 2.593 122.389 119.800 -0.006 0.000 2.195 262 Q HA 0.149 4.489 4.340 -0.000 0.000 0.250 262 Q C -0.423 175.569 176.000 -0.013 0.000 0.988 262 Q CA -0.474 55.325 55.803 -0.006 0.000 0.911 262 Q CB 1.815 30.555 28.738 0.002 0.000 1.258 262 Q HN 0.830 nan 8.270 nan 0.000 0.475 263 D N -0.535 119.855 120.400 -0.016 0.000 2.766 263 D HA 0.030 4.669 4.640 -0.000 0.000 0.284 263 D C -0.428 175.860 176.300 -0.019 0.000 1.050 263 D CA 0.232 54.222 54.000 -0.018 0.000 0.945 263 D CB 0.463 41.249 40.800 -0.023 0.000 1.272 263 D HN 0.348 nan 8.370 nan 0.000 0.482 264 N N 0.572 119.253 118.700 -0.031 0.000 3.245 264 N HA 0.058 4.798 4.740 -0.000 0.000 0.296 264 N C 0.465 175.932 175.510 -0.072 0.000 1.254 264 N CA 0.008 53.023 53.050 -0.059 0.000 1.190 264 N CB 1.208 39.660 38.487 -0.058 0.000 1.460 264 N HN -0.048 nan 8.380 nan 0.000 0.538 265 V N 0.526 120.406 119.914 -0.056 0.000 3.510 265 V HA -0.001 4.118 4.120 -0.000 0.000 0.270 265 V C 1.854 177.889 176.094 -0.099 0.000 1.201 265 V CA 0.994 63.264 62.300 -0.051 0.000 1.166 265 V CB -0.655 31.161 31.823 -0.011 0.000 0.825 265 V HN 0.582 nan 8.190 nan 0.000 0.484 266 A N 0.166 122.846 122.820 -0.233 0.000 1.908 266 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 266 A C 2.063 179.473 177.584 -0.289 0.000 1.181 266 A CA 2.064 53.836 52.037 -0.442 0.000 0.627 266 A CB -0.370 18.151 19.000 -0.798 0.000 0.818 266 A HN 0.691 nan 8.150 nan 0.000 0.445 267 E N -0.143 119.932 120.200 -0.208 0.000 2.107 267 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 267 E C 2.008 178.553 176.600 -0.091 0.000 0.982 267 E CA 0.992 57.311 56.400 -0.136 0.000 0.809 267 E CB -0.327 29.328 29.700 -0.075 0.000 0.756 267 E HN 0.661 nan 8.360 nan 0.000 0.459 268 L N 0.765 121.935 121.223 -0.089 0.000 2.027 268 L HA -0.170 4.170 4.340 -0.000 0.000 0.206 268 L C 2.598 179.419 176.870 -0.083 0.000 1.074 268 L CA 0.900 55.679 54.840 -0.102 0.000 0.745 268 L CB -0.455 41.535 42.059 -0.115 0.000 0.898 268 L HN 0.116 nan 8.230 nan 0.000 0.433 269 L N -0.275 120.911 121.223 -0.062 0.000 2.046 269 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 269 L C 2.935 179.790 176.870 -0.025 0.000 1.077 269 L CA 1.092 55.915 54.840 -0.028 0.000 0.747 269 L CB -0.792 41.279 42.059 0.018 0.000 0.896 269 L HN 0.256 nan 8.230 nan 0.000 0.432 270 A N 1.120 123.908 122.820 -0.053 0.000 1.892 270 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 270 A C 2.064 179.642 177.584 -0.011 0.000 1.188 270 A CA 2.276 54.287 52.037 -0.043 0.000 0.631 270 A CB -0.656 18.290 19.000 -0.090 0.000 0.822 270 A HN 0.604 nan 8.150 nan 0.000 0.447 271 M N -1.222 118.365 119.600 -0.021 0.000 2.652 271 M HA 0.366 4.846 4.480 -0.000 0.000 0.226 271 M C -0.190 176.104 176.300 -0.011 0.000 1.244 271 M CA 0.077 55.373 55.300 -0.008 0.000 0.986 271 M CB 0.009 32.603 32.600 -0.010 0.000 1.666 271 M HN 0.069 nan 8.290 nan 0.000 0.460 272 S N 0.081 115.782 115.700 0.001 0.000 2.704 272 S HA 0.440 4.910 4.470 -0.000 0.000 0.305 272 S C 0.082 174.719 174.600 0.062 0.000 1.107 272 S CA -0.835 57.372 58.200 0.012 0.000 0.993 272 S CB 1.816 65.014 63.200 -0.003 0.000 1.110 272 S HN 0.418 nan 8.310 nan 0.000 0.534 273 D N -0.313 120.140 120.400 0.089 0.000 2.531 273 D HA 0.232 4.872 4.640 -0.000 0.000 0.263 273 D C -0.523 175.916 176.300 0.232 0.000 1.057 273 D CA 0.286 54.404 54.000 0.198 0.000 0.909 273 D CB 0.567 41.453 40.800 0.142 0.000 1.236 273 D HN 0.175 nan 8.370 nan 0.000 0.494 274 L N 0.995 122.298 121.223 0.133 0.000 2.455 274 L HA 0.434 4.774 4.340 -0.000 0.000 0.264 274 L C -1.525 175.376 176.870 0.052 0.000 0.968 274 L CA -0.347 54.552 54.840 0.100 0.000 0.827 274 L CB 2.535 44.669 42.059 0.126 0.000 1.317 274 L HN -0.232 nan 8.230 nan 0.000 0.407 275 M N 5.150 124.768 119.600 0.031 0.000 2.336 275 M HA 0.518 4.998 4.480 -0.000 0.000 0.342 275 M C -1.562 174.754 176.300 0.027 0.000 1.128 275 M CA -0.602 54.708 55.300 0.017 0.000 1.016 275 M CB 1.517 34.113 32.600 -0.007 0.000 1.665 275 M HN 0.560 nan 8.290 nan 0.000 0.445 276 L N 4.714 125.965 121.223 0.047 0.000 2.346 276 L HA 0.618 4.958 4.340 -0.000 0.000 0.276 276 L C -1.261 175.672 176.870 0.105 0.000 1.006 276 L CA -0.929 53.936 54.840 0.042 0.000 0.817 276 L CB 2.155 44.209 42.059 -0.008 0.000 1.272 276 L HN 0.535 nan 8.230 nan 0.000 0.421 277 L N 5.185 126.437 121.223 0.049 0.000 2.617 277 L HA 0.386 4.726 4.340 -0.000 0.000 0.259 277 L C -0.942 175.934 176.870 0.009 0.000 0.995 277 L CA 0.170 55.048 54.840 0.063 0.000 0.899 277 L CB 1.263 43.340 42.059 0.031 0.000 1.181 277 L HN 0.471 nan 8.230 nan 0.000 0.437 278 L N 3.143 124.352 121.223 -0.024 0.000 3.096 278 L HA 0.427 4.767 4.340 -0.000 0.000 0.272 278 L C 0.458 177.312 176.870 -0.027 0.000 1.311 278 L CA -0.352 54.468 54.840 -0.034 0.000 0.943 278 L CB 0.363 42.384 42.059 -0.064 0.000 1.348 278 L HN 0.537 nan 8.230 nan 0.000 0.562 279 S N -1.720 113.980 115.700 -0.001 0.000 2.617 279 S HA 0.253 4.723 4.470 -0.000 0.000 0.269 279 S C 0.897 175.506 174.600 0.014 0.000 1.292 279 S CA -0.754 57.450 58.200 0.007 0.000 1.010 279 S CB 1.590 64.805 63.200 0.026 0.000 0.944 279 S HN 0.366 nan 8.310 nan 0.000 0.536 280 E N 0.836 121.046 120.200 0.016 0.000 2.268 280 E HA -0.014 4.336 4.350 -0.000 0.000 0.195 280 E C -0.030 176.590 176.600 0.033 0.000 0.995 280 E CA 0.764 57.177 56.400 0.022 0.000 0.836 280 E CB 0.005 29.718 29.700 0.021 0.000 0.763 280 E HN 0.509 nan 8.360 nan 0.000 0.491 281 K N 0.230 120.654 120.400 0.040 0.000 2.568 281 K HA 0.451 4.771 4.320 -0.000 0.000 0.273 281 K C -1.160 175.478 176.600 0.064 0.000 0.951 281 K CA -0.671 55.648 56.287 0.052 0.000 0.854 281 K CB 2.566 35.097 32.500 0.052 0.000 1.424 281 K HN -0.120 nan 8.250 nan 0.000 0.427 282 E N -0.333 119.914 120.200 0.079 0.000 2.401 282 E HA 0.216 4.566 4.350 -0.000 0.000 0.283 282 E C -1.127 175.550 176.600 0.129 0.000 1.053 282 E CA -0.269 56.190 56.400 0.098 0.000 0.842 282 E CB 1.324 31.072 29.700 0.080 0.000 1.222 282 E HN 0.408 nan 8.360 nan 0.000 0.429 283 S N 2.846 118.644 115.700 0.164 0.000 2.502 283 S HA 0.308 4.778 4.470 -0.000 0.000 0.215 283 S C 0.692 175.489 174.600 0.327 0.000 1.009 283 S CA 0.021 58.330 58.200 0.183 0.000 0.908 283 S CB 0.183 63.465 63.200 0.136 0.000 0.801 283 S HN 0.506 nan 8.310 nan 0.000 0.505 284 F N 0.674 120.661 119.950 0.061 0.000 2.083 284 F HA 0.444 4.970 4.527 -0.000 0.000 0.259 284 F C 0.732 176.523 175.800 -0.014 0.000 0.953 284 F CA -0.210 57.816 58.000 0.043 0.000 1.156 284 F CB 0.396 39.427 39.000 0.052 0.000 1.297 284 F HN 0.254 nan 8.300 nan 0.000 0.733 285 G N 0.233 108.858 108.800 -0.291 0.000 2.533 285 G HA2 0.449 4.409 3.960 -0.000 0.000 0.304 285 G HA3 0.449 4.409 3.960 -0.000 0.000 0.304 285 G C -0.313 174.359 174.900 -0.379 0.000 1.263 285 G CA -0.562 44.491 45.100 -0.078 0.000 0.964 285 G HN 0.107 nan 8.290 nan 0.000 0.479 286 L N 1.594 122.664 121.223 -0.255 0.000 2.131 286 L HA -0.045 4.295 4.340 -0.000 0.000 0.210 286 L C 3.085 179.776 176.870 -0.298 0.000 1.092 286 L CA 1.448 56.080 54.840 -0.346 0.000 0.759 286 L CB -1.052 40.872 42.059 -0.225 0.000 0.903 286 L HN 0.532 nan 8.230 nan 0.000 0.435 287 V N -1.282 118.512 119.914 -0.200 0.000 2.660 287 V HA -0.273 3.847 4.120 -0.000 0.000 0.257 287 V C 2.225 178.198 176.094 -0.201 0.000 1.088 287 V CA 1.643 63.840 62.300 -0.171 0.000 1.106 287 V CB -0.501 31.246 31.823 -0.128 0.000 0.686 287 V HN 0.474 nan 8.190 nan 0.000 0.481 288 L N -1.170 119.901 121.223 -0.253 0.000 2.046 288 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 288 L C 2.607 179.319 176.870 -0.263 0.000 1.077 288 L CA 1.708 56.404 54.840 -0.240 0.000 0.747 288 L CB -0.521 41.367 42.059 -0.285 0.000 0.896 288 L HN 0.355 nan 8.230 nan 0.000 0.432 289 L N -0.166 120.831 121.223 -0.377 0.000 1.994 289 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 289 L C 2.510 179.209 176.870 -0.285 0.000 1.071 289 L CA 1.732 56.364 54.840 -0.346 0.000 0.745 289 L CB -0.670 41.135 42.059 -0.423 0.000 0.892 289 L HN 0.217 nan 8.230 nan 0.000 0.431 290 E N -0.592 119.389 120.200 -0.366 0.000 2.048 290 E HA -0.346 4.004 4.350 -0.000 0.000 0.202 290 E C 2.189 178.715 176.600 -0.124 0.000 1.021 290 E CA 1.443 57.568 56.400 -0.458 0.000 0.825 290 E CB -0.480 28.992 29.700 -0.379 0.000 0.756 290 E HN 0.552 nan 8.360 nan 0.000 0.454 291 A N 1.502 124.271 122.820 -0.084 0.000 1.869 291 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 291 A C 2.281 179.855 177.584 -0.017 0.000 1.203 291 A CA 2.185 54.205 52.037 -0.028 0.000 0.638 291 A CB -0.714 18.256 19.000 -0.051 0.000 0.831 291 A HN 0.163 nan 8.150 nan 0.000 0.450 292 M N -0.832 118.738 119.600 -0.050 0.000 2.065 292 M HA -0.200 4.280 4.480 -0.000 0.000 0.259 292 M C 2.540 178.850 176.300 0.017 0.000 1.071 292 M CA 1.618 56.904 55.300 -0.023 0.000 1.109 292 M CB -0.628 31.952 32.600 -0.034 0.000 1.313 292 M HN 0.500 nan 8.290 nan 0.000 0.408 293 A N -0.699 122.128 122.820 0.011 0.000 2.067 293 A HA -0.244 4.076 4.320 -0.000 0.000 0.224 293 A C 1.931 179.586 177.584 0.119 0.000 1.172 293 A CA 1.847 53.928 52.037 0.073 0.000 0.662 293 A CB -1.256 17.768 19.000 0.041 0.000 0.814 293 A HN 0.683 nan 8.150 nan 0.000 0.468 294 C N -1.121 118.238 119.300 0.099 0.000 2.614 294 C HA 0.500 4.960 4.460 -0.000 0.000 0.299 294 C C 1.821 176.856 174.990 0.076 0.000 1.293 294 C CA 0.025 59.104 59.018 0.102 0.000 1.713 294 C CB -1.361 26.427 27.740 0.081 0.000 1.890 294 C HN 1.173 nan 8.230 nan 0.000 0.602 295 G N 0.874 109.713 108.800 0.064 0.000 2.143 295 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.248 295 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.248 295 G C -0.015 174.897 174.900 0.019 0.000 0.991 295 G CA 0.418 45.545 45.100 0.045 0.000 0.689 295 G HN 0.452 nan 8.290 nan 0.000 0.522 296 V N 2.758 122.678 119.914 0.011 0.000 2.333 296 V HA 0.433 4.553 4.120 -0.000 0.000 0.274 296 V C -1.169 174.897 176.094 -0.046 0.000 1.028 296 V CA -1.594 60.703 62.300 -0.005 0.000 0.851 296 V CB 1.490 33.322 31.823 0.015 0.000 1.000 296 V HN 0.254 nan 8.190 nan 0.000 0.456 297 P HA 0.178 nan 4.420 nan 0.000 0.269 297 P C -0.640 176.629 177.300 -0.051 0.000 1.209 297 P CA -0.096 62.937 63.100 -0.112 0.000 0.776 297 P CB 0.920 32.502 31.700 -0.196 0.000 0.876 298 C N 2.981 122.251 119.300 -0.050 0.000 2.614 298 C HA 0.594 5.054 4.460 -0.000 0.000 0.320 298 C C 0.574 175.567 174.990 0.005 0.000 1.200 298 C CA -0.539 58.466 59.018 -0.022 0.000 1.700 298 C CB 0.971 28.684 27.740 -0.046 0.000 2.275 298 C HN 0.466 nan 8.230 nan 0.000 0.492 299 I N 2.366 122.952 120.570 0.026 0.000 2.537 299 I HA 0.446 4.615 4.170 -0.000 0.000 0.276 299 I C 0.511 176.634 176.117 0.009 0.000 1.063 299 I CA 0.335 61.660 61.300 0.042 0.000 1.144 299 I CB 0.720 38.755 38.000 0.057 0.000 1.252 299 I HN 0.858 nan 8.210 nan 0.000 0.480 300 G N 2.932 111.729 108.800 -0.006 0.000 2.432 300 G HA2 0.558 4.518 3.960 -0.000 0.000 0.331 300 G HA3 0.558 4.518 3.960 -0.000 0.000 0.331 300 G C 0.006 174.907 174.900 0.001 0.000 1.170 300 G CA -0.426 44.671 45.100 -0.005 0.000 0.943 300 G HN 0.446 nan 8.290 nan 0.000 0.483 301 T N -1.235 113.323 114.554 0.006 0.000 2.932 301 T HA 0.135 4.485 4.350 -0.000 0.000 0.312 301 T C 0.739 175.455 174.700 0.027 0.000 1.071 301 T CA -0.415 61.693 62.100 0.014 0.000 1.128 301 T CB 1.050 69.925 68.868 0.012 0.000 0.984 301 T HN 0.572 nan 8.240 nan 0.000 0.549 302 R N 1.779 122.300 120.500 0.036 0.000 3.268 302 R HA 0.396 4.736 4.340 -0.000 0.000 0.217 302 R C -1.250 175.080 176.300 0.050 0.000 1.568 302 R CA -0.256 55.874 56.100 0.049 0.000 1.322 302 R CB -0.698 29.638 30.300 0.059 0.000 1.280 302 R HN 0.551 nan 8.270 nan 0.000 0.667 303 V N 2.287 122.233 119.914 0.053 0.000 2.588 303 V HA 0.339 4.458 4.120 -0.000 0.000 0.304 303 V C 0.705 176.845 176.094 0.076 0.000 1.042 303 V CA -1.059 61.276 62.300 0.058 0.000 0.877 303 V CB 1.852 33.706 31.823 0.051 0.000 0.996 303 V HN 0.779 nan 8.190 nan 0.000 0.425 304 G N 2.747 111.594 108.800 0.079 0.000 2.641 304 G HA2 0.292 4.252 3.960 -0.000 0.000 0.293 304 G HA3 0.292 4.252 3.960 -0.000 0.000 0.293 304 G C 1.185 176.162 174.900 0.128 0.000 0.541 304 G CA 1.125 46.283 45.100 0.097 0.000 1.196 304 G HN 1.995 nan 8.290 nan 0.000 0.237 305 G N 1.683 110.580 108.800 0.163 0.000 2.284 305 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.201 305 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.201 305 G C 1.122 176.157 174.900 0.224 0.000 0.998 305 G CA 0.299 45.538 45.100 0.232 0.000 0.651 305 G HN 0.511 nan 8.290 nan 0.000 0.489 306 I N 1.453 122.104 120.570 0.134 0.000 2.429 306 I HA 0.057 4.227 4.170 -0.000 0.000 0.247 306 I C -0.237 175.930 176.117 0.082 0.000 1.099 306 I CA 1.015 62.358 61.300 0.072 0.000 1.422 306 I CB -1.667 36.358 38.000 0.041 0.000 1.112 306 I HN 0.008 nan 8.210 nan 0.000 0.430 307 P HA -0.157 nan 4.420 nan 0.000 0.222 307 P C 1.025 178.397 177.300 0.120 0.000 1.142 307 P CA 1.324 64.481 63.100 0.096 0.000 0.788 307 P CB -0.071 31.686 31.700 0.095 0.000 0.767 308 E N -1.205 119.101 120.200 0.177 0.000 2.478 308 E HA -0.017 4.333 4.350 -0.000 0.000 0.194 308 E C 1.490 178.215 176.600 0.208 0.000 1.045 308 E CA 0.598 57.130 56.400 0.220 0.000 0.868 308 E CB -0.002 29.923 29.700 0.375 0.000 0.885 308 E HN 0.280 nan 8.360 nan 0.000 0.505 309 V N -2.388 117.624 119.914 0.162 0.000 3.359 309 V HA 0.266 4.386 4.120 -0.000 0.000 0.245 309 V C 0.859 177.001 176.094 0.079 0.000 1.247 309 V CA -0.106 62.288 62.300 0.156 0.000 1.145 309 V CB 0.275 32.043 31.823 -0.092 0.000 0.906 309 V HN -0.023 nan 8.190 nan 0.000 0.464 310 I N 3.510 124.098 120.570 0.030 0.000 2.312 310 I HA 0.367 4.537 4.170 -0.000 0.000 0.290 310 I C -0.390 175.732 176.117 0.010 0.000 1.008 310 I CA -0.265 61.031 61.300 -0.007 0.000 1.226 310 I CB 1.548 39.526 38.000 -0.037 0.000 1.371 310 I HN 0.481 nan 8.210 nan 0.000 0.468 311 Q N 6.174 125.973 119.800 -0.002 0.000 2.400 311 Q HA 0.297 4.637 4.340 -0.000 0.000 0.255 311 Q C -0.248 175.764 176.000 0.021 0.000 1.008 311 Q CA -0.728 55.088 55.803 0.022 0.000 0.841 311 Q CB 1.059 29.805 28.738 0.013 0.000 1.220 311 Q HN 0.628 nan 8.270 nan 0.000 0.474 312 H N 2.398 121.432 119.070 -0.060 0.000 3.192 312 H HA 0.012 4.568 4.556 -0.000 0.000 0.295 312 H C 1.284 176.522 175.328 -0.149 0.000 0.943 312 H CA 1.597 57.593 56.048 -0.087 0.000 1.416 312 H CB 0.170 29.942 29.762 0.016 0.000 1.434 312 H HN 1.072 nan 8.280 nan 0.000 0.565 313 G N 3.883 112.663 108.800 -0.034 0.000 2.253 313 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.251 313 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.251 313 G C 0.992 175.821 174.900 -0.118 0.000 0.998 313 G CA 0.640 45.715 45.100 -0.042 0.000 0.621 313 G HN 0.656 nan 8.290 nan 0.000 0.524 314 D N -0.114 120.224 120.400 -0.104 0.000 2.490 314 D HA 0.128 4.768 4.640 -0.000 0.000 0.244 314 D C 2.420 178.649 176.300 -0.118 0.000 0.979 314 D CA 2.276 56.227 54.000 -0.081 0.000 0.924 314 D CB 0.033 40.809 40.800 -0.040 0.000 1.075 314 D HN 0.623 nan 8.370 nan 0.000 0.488 315 T N -2.997 111.472 114.554 -0.142 0.000 3.111 315 T HA 0.609 4.959 4.350 -0.000 0.000 0.284 315 T C 0.692 175.275 174.700 -0.196 0.000 0.983 315 T CA 0.158 62.179 62.100 -0.131 0.000 0.900 315 T CB 1.286 70.118 68.868 -0.060 0.000 1.132 315 T HN 0.215 nan 8.240 nan 0.000 0.531 316 G N 0.054 108.646 108.800 -0.346 0.000 2.333 316 G HA2 0.459 4.419 3.960 -0.000 0.000 0.288 316 G HA3 0.459 4.419 3.960 -0.000 0.000 0.288 316 G C -2.399 172.081 174.900 -0.701 0.000 1.286 316 G CA -1.002 43.850 45.100 -0.414 0.000 0.865 316 G HN 0.195 nan 8.290 nan 0.000 0.506 317 Y N -0.960 119.199 120.300 -0.236 0.000 2.545 317 Y HA 0.784 5.334 4.550 -0.000 0.000 0.348 317 Y C 0.407 176.082 175.900 -0.376 0.000 1.002 317 Y CA -0.928 56.846 58.100 -0.543 0.000 1.039 317 Y CB 2.287 40.475 38.460 -0.453 0.000 1.271 317 Y HN 0.497 nan 8.280 nan 0.000 0.467 318 L N 1.832 122.897 121.223 -0.264 0.000 2.260 318 L HA 0.894 5.234 4.340 -0.000 0.000 0.265 318 L C -0.822 176.053 176.870 0.009 0.000 1.015 318 L CA -1.008 53.805 54.840 -0.045 0.000 0.826 318 L CB 2.218 44.298 42.059 0.035 0.000 1.373 318 L HN 0.922 nan 8.230 nan 0.000 0.450 319 C N -2.017 117.304 119.300 0.035 0.000 3.068 319 C HA 0.356 4.816 4.460 -0.000 0.000 0.344 319 C C -0.751 174.259 174.990 0.032 0.000 1.223 319 C CA -1.183 57.861 59.018 0.042 0.000 1.153 319 C CB 0.827 28.579 27.740 0.020 0.000 1.396 319 C HN 0.765 nan 8.230 nan 0.000 0.485 320 E N 1.073 121.292 120.200 0.031 0.000 2.418 320 E HA 0.389 4.739 4.350 -0.000 0.000 0.261 320 E C 0.651 177.259 176.600 0.013 0.000 1.070 320 E CA -0.038 56.377 56.400 0.024 0.000 0.931 320 E CB 0.611 30.325 29.700 0.023 0.000 0.954 320 E HN 1.417 nan 8.360 nan 0.000 0.439 321 V N 0.153 120.075 119.914 0.012 0.000 2.637 321 V HA 0.512 4.632 4.120 -0.000 0.000 0.296 321 V C 1.278 177.372 176.094 -0.000 0.000 1.046 321 V CA 0.300 62.603 62.300 0.004 0.000 1.066 321 V CB 0.510 32.337 31.823 0.007 0.000 0.968 321 V HN 0.844 nan 8.190 nan 0.000 0.483 322 G N 2.503 111.298 108.800 -0.009 0.000 2.199 322 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.254 322 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.254 322 G C 0.384 175.279 174.900 -0.010 0.000 0.982 322 G CA 0.311 45.405 45.100 -0.010 0.000 0.632 322 G HN 0.992 nan 8.290 nan 0.000 0.529 323 D N 2.097 122.492 120.400 -0.008 0.000 2.885 323 D HA 0.225 4.865 4.640 -0.000 0.000 0.234 323 D C 2.253 178.544 176.300 -0.014 0.000 1.129 323 D CA 0.926 54.922 54.000 -0.008 0.000 0.991 323 D CB -0.332 40.467 40.800 -0.002 0.000 1.137 323 D HN 0.512 nan 8.370 nan 0.000 0.459 324 T N -2.197 112.347 114.554 -0.017 0.000 2.653 324 T HA -0.295 4.055 4.350 -0.000 0.000 0.268 324 T C 1.956 176.644 174.700 -0.020 0.000 1.035 324 T CA 2.256 64.345 62.100 -0.019 0.000 1.154 324 T CB -0.730 68.128 68.868 -0.017 0.000 0.862 324 T HN 0.300 nan 8.240 nan 0.000 0.441 325 T N 0.197 114.739 114.554 -0.019 0.000 2.652 325 T HA 0.027 4.377 4.350 -0.000 0.000 0.267 325 T C 2.363 177.047 174.700 -0.026 0.000 1.039 325 T CA 1.392 63.478 62.100 -0.022 0.000 1.153 325 T CB -1.553 67.304 68.868 -0.018 0.000 0.863 325 T HN 0.536 nan 8.240 nan 0.000 0.428 326 G N 1.070 109.857 108.800 -0.022 0.000 2.442 326 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.219 326 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.219 326 G C 1.674 176.550 174.900 -0.041 0.000 1.141 326 G CA 1.046 46.130 45.100 -0.026 0.000 0.763 326 G HN 0.503 nan 8.290 nan 0.000 0.554 327 V N 1.519 121.412 119.914 -0.034 0.000 2.307 327 V HA -0.117 4.003 4.120 -0.000 0.000 0.245 327 V C 3.323 179.390 176.094 -0.045 0.000 1.045 327 V CA 1.981 64.257 62.300 -0.039 0.000 1.024 327 V CB -1.036 30.772 31.823 -0.026 0.000 0.651 327 V HN 0.476 nan 8.190 nan 0.000 0.449 328 A N 0.273 123.071 122.820 -0.036 0.000 1.883 328 A HA -0.285 4.034 4.320 -0.000 0.000 0.217 328 A C 2.008 179.560 177.584 -0.053 0.000 1.186 328 A CA 2.185 54.200 52.037 -0.038 0.000 0.624 328 A CB -0.747 18.229 19.000 -0.040 0.000 0.822 328 A HN 0.571 nan 8.150 nan 0.000 0.444 329 D N -0.920 119.445 120.400 -0.058 0.000 2.104 329 D HA -0.192 4.448 4.640 -0.000 0.000 0.194 329 D C 2.058 178.298 176.300 -0.101 0.000 0.994 329 D CA 1.900 55.859 54.000 -0.067 0.000 0.830 329 D CB -0.488 40.277 40.800 -0.057 0.000 0.959 329 D HN 0.563 nan 8.370 nan 0.000 0.452 330 Q N 0.822 120.538 119.800 -0.139 0.000 2.170 330 Q HA -0.071 4.269 4.340 -0.000 0.000 0.203 330 Q C 1.821 177.680 176.000 -0.234 0.000 0.976 330 Q CA 1.777 57.420 55.803 -0.268 0.000 0.858 330 Q CB -0.311 28.230 28.738 -0.327 0.000 0.907 330 Q HN 0.228 nan 8.270 nan 0.000 0.433 331 A N 0.328 123.079 122.820 -0.114 0.000 1.840 331 A HA -0.103 4.216 4.320 -0.000 0.000 0.214 331 A C 2.001 179.574 177.584 -0.019 0.000 1.198 331 A CA 1.506 53.521 52.037 -0.037 0.000 0.608 331 A CB -1.000 18.001 19.000 0.001 0.000 0.839 331 A HN 0.569 nan 8.150 nan 0.000 0.443 332 I N -1.411 119.139 120.570 -0.034 0.000 2.185 332 I HA -0.332 3.838 4.170 -0.000 0.000 0.246 332 I C 2.244 178.348 176.117 -0.021 0.000 1.088 332 I CA 2.477 63.760 61.300 -0.029 0.000 1.347 332 I CB -0.937 37.037 38.000 -0.044 0.000 1.041 332 I HN 0.419 nan 8.210 nan 0.000 0.415 333 Q N 1.266 121.042 119.800 -0.040 0.000 2.020 333 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 333 Q C 2.287 178.293 176.000 0.010 0.000 0.982 333 Q CA 2.339 58.124 55.803 -0.030 0.000 0.838 333 Q CB -0.526 28.172 28.738 -0.067 0.000 0.899 333 Q HN 0.620 nan 8.270 nan 0.000 0.423 334 L N 0.663 121.898 121.223 0.020 0.000 2.201 334 L HA -0.045 4.295 4.340 -0.000 0.000 0.212 334 L C 2.213 179.185 176.870 0.170 0.000 1.105 334 L CA 1.173 56.087 54.840 0.123 0.000 0.775 334 L CB -0.423 41.745 42.059 0.182 0.000 0.913 334 L HN 0.225 nan 8.230 nan 0.000 0.440 335 L N -0.556 120.730 121.223 0.105 0.000 2.156 335 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 335 L C 2.516 179.389 176.870 0.006 0.000 1.095 335 L CA 1.455 56.335 54.840 0.067 0.000 0.770 335 L CB -0.526 41.556 42.059 0.039 0.000 0.914 335 L HN 0.389 nan 8.230 nan 0.000 0.439 336 K N -1.172 119.237 120.400 0.015 0.000 2.078 336 K HA -0.024 4.296 4.320 -0.000 0.000 0.203 336 K C 0.712 177.322 176.600 0.017 0.000 1.043 336 K CA 0.103 56.391 56.287 0.002 0.000 0.960 336 K CB -0.469 32.031 32.500 0.000 0.000 0.761 336 K HN -0.010 nan 8.250 nan 0.000 0.448 337 D N 2.668 123.093 120.400 0.040 0.000 2.451 337 D HA -0.091 4.549 4.640 -0.000 0.000 0.254 337 D C 0.277 176.622 176.300 0.075 0.000 1.204 337 D CA 0.497 54.530 54.000 0.055 0.000 0.896 337 D CB 0.983 41.825 40.800 0.070 0.000 1.136 337 D HN 0.366 nan 8.370 nan 0.000 0.499 338 E N 3.044 123.276 120.200 0.053 0.000 2.452 338 E HA -0.063 4.287 4.350 -0.000 0.000 0.197 338 E C 0.893 177.546 176.600 0.089 0.000 1.022 338 E CA -0.055 56.377 56.400 0.053 0.000 0.890 338 E CB 0.435 30.141 29.700 0.009 0.000 0.918 338 E HN 0.404 nan 8.360 nan 0.000 0.496 339 E N 0.837 121.083 120.200 0.077 0.000 2.016 339 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 339 E C 2.137 178.792 176.600 0.091 0.000 0.985 339 E CA 0.576 57.019 56.400 0.071 0.000 0.802 339 E CB -0.371 29.361 29.700 0.053 0.000 0.762 339 E HN 0.248 nan 8.360 nan 0.000 0.448 340 L N 1.544 122.828 121.223 0.101 0.000 2.043 340 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 340 L C 2.434 179.378 176.870 0.123 0.000 1.075 340 L CA 1.933 56.839 54.840 0.110 0.000 0.752 340 L CB -0.729 41.410 42.059 0.133 0.000 0.891 340 L HN 0.260 nan 8.230 nan 0.000 0.432 341 H N -0.535 118.573 119.070 0.064 0.000 2.423 341 H HA -0.051 4.505 4.556 -0.000 0.000 0.297 341 H C 2.089 177.443 175.328 0.043 0.000 1.075 341 H CA 1.201 57.285 56.048 0.060 0.000 1.342 341 H CB 0.315 30.110 29.762 0.056 0.000 1.395 341 H HN 0.268 nan 8.280 nan 0.000 0.530 342 R N 0.477 121.100 120.500 0.205 0.000 2.119 342 R HA -0.041 4.299 4.340 -0.000 0.000 0.222 342 R C 1.834 178.170 176.300 0.060 0.000 1.088 342 R CA 0.486 56.669 56.100 0.138 0.000 0.984 342 R CB -0.208 30.154 30.300 0.104 0.000 0.884 342 R HN 0.430 nan 8.270 nan 0.000 0.447 343 N N 0.829 119.557 118.700 0.046 0.000 2.109 343 N HA -0.107 4.633 4.740 -0.000 0.000 0.188 343 N C 1.779 177.282 175.510 -0.013 0.000 1.034 343 N CA 1.083 54.145 53.050 0.019 0.000 0.846 343 N CB -0.318 38.184 38.487 0.025 0.000 1.010 343 N HN 0.112 nan 8.380 nan 0.000 0.425 344 M N 0.711 120.289 119.600 -0.038 0.000 2.065 344 M HA -0.098 4.382 4.480 -0.000 0.000 0.259 344 M C 1.927 178.169 176.300 -0.097 0.000 1.069 344 M CA 2.111 57.357 55.300 -0.090 0.000 1.110 344 M CB -0.621 31.900 32.600 -0.131 0.000 1.328 344 M HN 0.201 nan 8.290 nan 0.000 0.405 345 G N -0.876 107.848 108.800 -0.127 0.000 2.485 345 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.221 345 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.221 345 G C 1.291 176.177 174.900 -0.023 0.000 1.115 345 G CA 1.419 46.463 45.100 -0.093 0.000 0.751 345 G HN 0.492 nan 8.290 nan 0.000 0.567 346 E N 0.269 120.464 120.200 -0.009 0.000 2.060 346 E HA 0.062 4.412 4.350 -0.000 0.000 0.189 346 E C 2.685 179.288 176.600 0.006 0.000 0.974 346 E CA 0.252 56.658 56.400 0.009 0.000 0.808 346 E CB -0.189 29.520 29.700 0.014 0.000 0.768 346 E HN 0.062 nan 8.360 nan 0.000 0.453 347 R N 0.597 121.092 120.500 -0.008 0.000 2.094 347 R HA -0.133 4.207 4.340 -0.000 0.000 0.239 347 R C 2.171 178.470 176.300 -0.002 0.000 1.137 347 R CA 1.464 57.558 56.100 -0.010 0.000 0.943 347 R CB -1.242 29.041 30.300 -0.029 0.000 0.850 347 R HN 0.290 nan 8.270 nan 0.000 0.433 348 A N 2.098 124.908 122.820 -0.016 0.000 1.849 348 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 348 A C 2.060 179.667 177.584 0.038 0.000 1.202 348 A CA 2.202 54.237 52.037 -0.004 0.000 0.629 348 A CB -0.671 18.309 19.000 -0.033 0.000 0.834 348 A HN 0.525 nan 8.150 nan 0.000 0.447 349 R N -0.208 120.318 120.500 0.044 0.000 2.377 349 R HA -0.046 4.294 4.340 -0.000 0.000 0.207 349 R C 1.333 177.701 176.300 0.114 0.000 1.075 349 R CA 1.480 57.630 56.100 0.084 0.000 1.035 349 R CB -0.328 30.022 30.300 0.083 0.000 0.857 349 R HN 0.682 nan 8.270 nan 0.000 0.475 350 E N 1.221 121.473 120.200 0.086 0.000 2.079 350 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 350 E C 1.966 178.640 176.600 0.124 0.000 0.961 350 E CA 1.040 57.500 56.400 0.100 0.000 0.823 350 E CB 0.133 29.862 29.700 0.049 0.000 0.789 350 E HN 0.453 nan 8.360 nan 0.000 0.459 351 S N 0.743 116.485 115.700 0.070 0.000 2.465 351 S HA -0.103 4.367 4.470 -0.000 0.000 0.241 351 S C 2.085 176.713 174.600 0.046 0.000 1.000 351 S CA 0.745 58.962 58.200 0.029 0.000 0.964 351 S CB -0.316 62.887 63.200 0.005 0.000 0.763 351 S HN -0.015 nan 8.310 nan 0.000 0.512 352 V N 0.642 120.646 119.914 0.151 0.000 2.283 352 V HA -0.073 4.047 4.120 -0.000 0.000 0.243 352 V C 2.170 178.386 176.094 0.204 0.000 1.039 352 V CA 1.822 64.284 62.300 0.269 0.000 1.016 352 V CB -0.963 30.991 31.823 0.218 0.000 0.650 352 V HN 0.657 nan 8.190 nan 0.000 0.449 353 Y N 0.875 121.231 120.300 0.094 0.000 2.256 353 Y HA -0.215 4.335 4.550 -0.000 0.000 0.288 353 Y C 2.549 178.469 175.900 0.033 0.000 1.155 353 Y CA 1.825 59.972 58.100 0.079 0.000 1.203 353 Y CB -0.011 38.486 38.460 0.062 0.000 0.980 353 Y HN 0.244 nan 8.280 nan 0.000 0.530 354 E N 0.349 120.581 120.200 0.052 0.000 2.017 354 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 354 E C 1.923 178.405 176.600 -0.195 0.000 0.997 354 E CA 2.182 58.556 56.400 -0.044 0.000 0.804 354 E CB -0.317 29.365 29.700 -0.030 0.000 0.757 354 E HN 0.852 nan 8.360 nan 0.000 0.448 355 Q N -1.886 117.703 119.800 -0.352 0.000 2.246 355 Q HA 0.112 4.452 4.340 -0.000 0.000 0.222 355 Q C 0.605 176.235 176.000 -0.617 0.000 0.851 355 Q CA 0.047 55.527 55.803 -0.538 0.000 0.945 355 Q CB 0.352 28.630 28.738 -0.768 0.000 1.122 355 Q HN 0.093 nan 8.270 nan 0.000 0.508 356 F N 0.935 120.869 119.950 -0.027 0.000 2.724 356 F HA 0.367 4.894 4.527 -0.000 0.000 0.310 356 F C 0.334 176.156 175.800 0.037 0.000 1.107 356 F CA -1.190 56.839 58.000 0.048 0.000 1.218 356 F CB 0.578 39.613 39.000 0.058 0.000 1.042 356 F HN -0.067 nan 8.300 nan 0.000 0.540 357 R N 1.594 122.099 120.500 0.008 0.000 2.485 357 R HA -0.058 4.282 4.340 -0.000 0.000 0.304 357 R C 1.628 177.929 176.300 0.002 0.000 0.934 357 R CA 0.795 56.820 56.100 -0.125 0.000 1.102 357 R CB 0.417 30.462 30.300 -0.425 0.000 0.906 357 R HN 0.308 nan 8.270 nan 0.000 0.407 358 S N 3.528 119.276 115.700 0.080 0.000 2.359 358 S HA -0.286 4.184 4.470 -0.000 0.000 0.223 358 S C 1.403 175.893 174.600 -0.183 0.000 1.039 358 S CA 1.446 59.658 58.200 0.020 0.000 1.042 358 S CB -0.412 62.926 63.200 0.229 0.000 0.915 358 S HN 0.812 nan 8.310 nan 0.000 0.439 359 E N 1.577 121.729 120.200 -0.080 0.000 2.209 359 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 359 E C 2.026 178.569 176.600 -0.095 0.000 0.993 359 E CA 1.454 57.810 56.400 -0.074 0.000 0.819 359 E CB -0.370 29.322 29.700 -0.014 0.000 0.745 359 E HN 0.736 nan 8.360 nan 0.000 0.477 360 K N 0.323 120.658 120.400 -0.108 0.000 1.991 360 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 360 K C 1.942 178.484 176.600 -0.096 0.000 1.045 360 K CA 1.276 57.506 56.287 -0.094 0.000 0.937 360 K CB -0.133 32.304 32.500 -0.105 0.000 0.720 360 K HN 0.108 nan 8.250 nan 0.000 0.438 361 I N 1.289 121.800 120.570 -0.099 0.000 2.163 361 I HA -0.262 3.908 4.170 -0.000 0.000 0.243 361 I C 2.239 178.273 176.117 -0.139 0.000 1.085 361 I CA 0.965 62.210 61.300 -0.093 0.000 1.347 361 I CB -0.448 37.575 38.000 0.038 0.000 1.044 361 I HN -0.005 nan 8.210 nan 0.000 0.408 362 V N -0.178 119.580 119.914 -0.260 0.000 2.380 362 V HA -0.316 3.804 4.120 -0.000 0.000 0.251 362 V C 2.468 178.538 176.094 -0.040 0.000 1.063 362 V CA 2.171 64.385 62.300 -0.144 0.000 1.055 362 V CB -0.843 30.856 31.823 -0.208 0.000 0.657 362 V HN 0.416 nan 8.190 nan 0.000 0.455 363 S N -0.865 114.799 115.700 -0.060 0.000 2.423 363 S HA -0.207 4.263 4.470 -0.000 0.000 0.231 363 S C 1.939 176.497 174.600 -0.070 0.000 1.014 363 S CA 1.190 59.372 58.200 -0.030 0.000 0.965 363 S CB -0.231 62.955 63.200 -0.024 0.000 0.785 363 S HN 0.696 nan 8.310 nan 0.000 0.495 364 Q N -0.248 119.473 119.800 -0.131 0.000 2.046 364 Q HA -0.098 4.242 4.340 -0.000 0.000 0.200 364 Q C 1.676 177.504 176.000 -0.287 0.000 0.975 364 Q CA 1.393 57.070 55.803 -0.210 0.000 0.836 364 Q CB -0.356 28.208 28.738 -0.289 0.000 0.896 364 Q HN 0.621 nan 8.270 nan 0.000 0.428 365 Y N 1.172 121.312 120.300 -0.267 0.000 2.224 365 Y HA -0.227 4.323 4.550 -0.000 0.000 0.289 365 Y C 2.461 177.835 175.900 -0.876 0.000 1.146 365 Y CA 1.191 58.981 58.100 -0.516 0.000 1.182 365 Y CB 0.098 38.352 38.460 -0.344 0.000 0.983 365 Y HN 0.209 nan 8.280 nan 0.000 0.524 366 E N -0.205 119.797 120.200 -0.331 0.000 2.077 366 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 366 E C 2.172 178.720 176.600 -0.087 0.000 0.989 366 E CA 2.023 58.291 56.400 -0.220 0.000 0.800 366 E CB -0.050 29.698 29.700 0.080 0.000 0.746 366 E HN 0.528 nan 8.360 nan 0.000 0.452 367 T N -1.056 113.480 114.554 -0.031 0.000 2.904 367 T HA -0.060 4.290 4.350 -0.000 0.000 0.267 367 T C 1.956 176.646 174.700 -0.017 0.000 1.059 367 T CA 0.798 62.937 62.100 0.066 0.000 1.137 367 T CB -0.341 68.537 68.868 0.016 0.000 0.879 367 T HN 0.136 nan 8.240 nan 0.000 0.467 368 I N -0.117 120.348 120.570 -0.174 0.000 2.286 368 I HA -0.134 4.036 4.170 -0.000 0.000 0.248 368 I C 2.353 178.431 176.117 -0.065 0.000 1.115 368 I CA 1.401 62.607 61.300 -0.157 0.000 1.392 368 I CB -0.461 37.398 38.000 -0.235 0.000 1.065 368 I HN 0.181 nan 8.210 nan 0.000 0.418 369 Y N 0.137 120.365 120.300 -0.120 0.000 2.133 369 Y HA -0.232 4.317 4.550 -0.000 0.000 0.287 369 Y C 2.552 178.347 175.900 -0.176 0.000 1.134 369 Y CA 0.888 58.855 58.100 -0.220 0.000 1.133 369 Y CB -1.542 36.682 38.460 -0.392 0.000 0.987 369 Y HN 0.077 nan 8.280 nan 0.000 0.502 370 Y N 0.384 120.753 120.300 0.115 0.000 2.165 370 Y HA -0.229 4.321 4.550 -0.000 0.000 0.286 370 Y C 2.243 178.159 175.900 0.027 0.000 1.155 370 Y CA 1.456 59.593 58.100 0.061 0.000 1.164 370 Y CB -0.812 37.676 38.460 0.047 0.000 0.978 370 Y HN 0.112 nan 8.280 nan 0.000 0.513 371 D N -0.875 119.621 120.400 0.159 0.000 2.117 371 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 371 D C 2.159 178.488 176.300 0.047 0.000 0.987 371 D CA 0.952 54.998 54.000 0.076 0.000 0.829 371 D CB -0.461 40.357 40.800 0.030 0.000 0.961 371 D HN 0.158 nan 8.370 nan 0.000 0.460 372 V N 0.232 120.168 119.914 0.038 0.000 3.383 372 V HA -0.077 4.043 4.120 -0.000 0.000 0.272 372 V C 1.189 177.291 176.094 0.014 0.000 1.181 372 V CA 0.840 63.148 62.300 0.014 0.000 1.171 372 V CB -0.384 31.442 31.823 0.004 0.000 0.800 372 V HN 0.107 nan 8.190 nan 0.000 0.515 373 L N -0.494 120.752 121.223 0.039 0.000 3.468 373 L HA 0.694 5.034 4.340 -0.000 0.000 0.181 373 L C 0.763 177.659 176.870 0.043 0.000 1.344 373 L CA 0.294 55.156 54.840 0.037 0.000 1.236 373 L CB -0.292 41.799 42.059 0.053 0.000 1.635 373 L HN 0.121 nan 8.230 nan 0.000 0.759 374 R N 0.000 120.539 120.500 0.065 0.000 2.786 374 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 374 R CA 0.000 nan 56.100 nan 0.000 0.921 374 R CB 0.000 nan 30.300 nan 0.000 0.687 374 R HN 0.000 nan 8.270 nan 0.000 0.535