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 2de5_1_B DATA FIRST_RESID 1 DATA SEQUENCE MANVDEAILK RVKGWAPYVD AKLGFRNHWY PVMFSKEINE GEPKTLKLLG DATA SEQUENCE ENLLVNRIDG KLYCLKDRCL HRGVQLSVKV ECKTKSTITC WYHAWTYRWE DATA SEQUENCE DGVLCDILTN PTSAQIGRQK LKTYPVQEAK GCVFIYLGDG DPPPLARDTP DATA SEQUENCE PNFLDDDMEI LGKNQIIKSN WRLAVENGFD PSHIYIHKDS ILVKDNDLAL DATA SEQUENCE PLGFAPGGDR KQQTRVVDDD VVGRKGVYDL IGEHGVPVFE GTIGGEVVRE DATA SEQUENCE GAYGEKIVAN DISIWLPGVL KVNPFPNPDM MQFEWYVPID ENTHYYFQTL DATA SEQUENCE GKPCANDEER KKYEQEFESK WKPMALEGFN NDDIWAREAM VDFYADDKGW DATA SEQUENCE VNEILFESDE AIVAWRKLAS EHNQGIQTQA HVSGLEHHH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.326 176.300 0.043 0.000 1.140 1 M CA 0.000 55.335 55.300 0.059 0.000 0.988 1 M CB 0.000 32.656 32.600 0.094 0.000 1.302 2 A N 0.755 123.592 122.820 0.028 0.000 2.203 2 A HA -0.196 3.917 4.320 -0.345 0.000 0.279 2 A C 0.424 178.020 177.584 0.020 0.000 1.396 2 A CA 1.206 53.255 52.037 0.019 0.000 0.747 2 A CB -1.312 17.698 19.000 0.015 0.000 1.151 2 A HN 0.799 nan 8.150 nan 0.000 0.345 3 N N -1.216 117.494 118.700 0.017 0.000 2.227 3 N HA 0.239 4.772 4.740 -0.345 0.000 0.196 3 N C -0.001 175.519 175.510 0.015 0.000 1.142 3 N CA 1.028 54.089 53.050 0.018 0.000 0.887 3 N CB 0.872 39.368 38.487 0.016 0.000 1.022 3 N HN 0.502 nan 8.380 nan 0.000 0.500 4 V N 0.673 120.593 119.914 0.009 0.000 3.040 4 V HA 0.169 4.082 4.120 -0.345 0.000 0.312 4 V C -0.269 175.833 176.094 0.013 0.000 1.115 4 V CA -1.208 61.101 62.300 0.014 0.000 0.998 4 V CB 2.691 34.515 31.823 0.002 0.000 1.042 4 V HN -0.028 nan 8.190 nan 0.000 0.433 5 D N 1.417 121.829 120.400 0.019 0.000 2.583 5 D HA -0.070 4.363 4.640 -0.345 0.000 0.232 5 D C 0.979 177.283 176.300 0.007 0.000 1.128 5 D CA 0.508 54.516 54.000 0.013 0.000 0.859 5 D CB 1.373 42.183 40.800 0.016 0.000 1.169 5 D HN 0.701 nan 8.370 nan 0.000 0.481 6 E N 3.185 123.387 120.200 0.003 0.000 2.153 6 E HA -0.149 3.994 4.350 -0.345 0.000 0.194 6 E C 1.788 178.384 176.600 -0.006 0.000 0.988 6 E CA 1.515 57.913 56.400 -0.003 0.000 0.811 6 E CB -0.221 29.478 29.700 -0.003 0.000 0.746 6 E HN 0.574 nan 8.360 nan 0.000 0.466 7 A N 0.129 122.947 122.820 -0.003 0.000 1.933 7 A HA -0.154 3.959 4.320 -0.345 0.000 0.218 7 A C 2.243 179.824 177.584 -0.004 0.000 1.175 7 A CA 1.405 53.439 52.037 -0.005 0.000 0.628 7 A CB -0.544 18.456 19.000 -0.001 0.000 0.814 7 A HN 0.321 nan 8.150 nan 0.000 0.444 8 I N -0.543 120.030 120.570 0.005 0.000 2.286 8 I HA -0.186 3.777 4.170 -0.345 0.000 0.245 8 I C 2.276 178.389 176.117 -0.006 0.000 1.104 8 I CA 0.803 62.112 61.300 0.016 0.000 1.397 8 I CB -0.299 37.730 38.000 0.047 0.000 1.072 8 I HN 0.265 nan 8.210 nan 0.000 0.417 9 L N 0.796 122.008 121.223 -0.018 0.000 2.083 9 L HA -0.237 3.896 4.340 -0.345 0.000 0.209 9 L C 2.601 179.435 176.870 -0.059 0.000 1.083 9 L CA 1.440 56.254 54.840 -0.042 0.000 0.752 9 L CB -0.616 41.424 42.059 -0.032 0.000 0.899 9 L HN 0.256 nan 8.230 nan 0.000 0.433 10 K N 0.389 120.762 120.400 -0.044 0.000 2.209 10 K HA -0.165 3.948 4.320 -0.345 0.000 0.204 10 K C 2.242 178.801 176.600 -0.067 0.000 1.048 10 K CA 1.118 57.375 56.287 -0.050 0.000 0.940 10 K CB 0.096 32.576 32.500 -0.033 0.000 0.729 10 K HN 0.214 nan 8.250 nan 0.000 0.451 11 R N 0.234 120.697 120.500 -0.062 0.000 2.119 11 R HA -0.013 4.120 4.340 -0.345 0.000 0.222 11 R C 0.880 177.099 176.300 -0.134 0.000 1.088 11 R CA 1.033 57.091 56.100 -0.070 0.000 0.984 11 R CB 0.245 30.526 30.300 -0.031 0.000 0.884 11 R HN 0.111 nan 8.270 nan 0.000 0.447 12 V N -0.161 119.646 119.914 -0.178 0.000 2.112 12 V HA 0.206 4.119 4.120 -0.345 0.000 0.271 12 V C 0.560 176.379 176.094 -0.459 0.000 1.465 12 V CA -0.300 61.768 62.300 -0.386 0.000 1.419 12 V CB 0.501 32.114 31.823 -0.351 0.000 1.409 12 V HN 0.086 nan 8.190 nan 0.000 0.495 13 K N 2.320 122.506 120.400 -0.356 0.000 2.281 13 K HA -0.036 4.077 4.320 -0.345 0.000 0.203 13 K C 2.012 178.430 176.600 -0.303 0.000 1.046 13 K CA 1.412 57.539 56.287 -0.266 0.000 0.938 13 K CB -0.056 32.335 32.500 -0.181 0.000 0.737 13 K HN 0.754 nan 8.250 nan 0.000 0.458 14 G N 0.556 109.028 108.800 -0.546 0.000 2.551 14 G HA2 -0.105 3.648 3.960 -0.345 0.000 0.216 14 G HA3 -0.105 3.648 3.960 -0.345 0.000 0.216 14 G C 0.323 175.191 174.900 -0.053 0.000 1.137 14 G CA 0.136 45.020 45.100 -0.359 0.000 0.798 14 G HN 0.519 nan 8.290 nan 0.000 0.536 15 W N -2.224 119.058 121.300 -0.030 0.000 0.713 15 W HA 0.727 5.190 4.660 -0.328 0.000 0.303 15 W C 0.831 177.336 176.519 -0.023 0.000 0.842 15 W CA -0.905 56.412 57.345 -0.046 0.000 1.488 15 W CB -0.299 29.108 29.460 -0.088 0.000 1.267 15 W HN 0.041 nan 8.180 nan 0.000 0.498 16 A N 1.159 123.972 122.820 -0.011 0.000 1.908 16 A HA -0.063 4.050 4.320 -0.345 0.000 0.218 16 A C -0.266 177.340 177.584 0.037 0.000 1.181 16 A CA 2.088 54.111 52.037 -0.023 0.000 0.627 16 A CB -1.468 17.497 19.000 -0.059 0.000 0.818 16 A HN 0.270 nan 8.150 nan 0.000 0.445 17 P HA -0.167 nan 4.420 nan 0.000 0.217 17 P C 1.415 178.836 177.300 0.202 0.000 1.150 17 P CA 1.176 64.354 63.100 0.131 0.000 0.832 17 P CB -0.154 31.623 31.700 0.127 0.000 0.787 18 Y N 0.274 120.620 120.300 0.076 0.000 2.145 18 Y HA -0.177 4.158 4.550 -0.359 0.000 0.286 18 Y C 2.054 177.810 175.900 -0.240 0.000 1.145 18 Y CA 1.319 59.424 58.100 0.008 0.000 1.148 18 Y CB -0.977 37.429 38.460 -0.090 0.000 0.981 18 Y HN -0.297 nan 8.280 nan 0.000 0.507 19 V N 0.362 120.111 119.914 -0.274 0.000 2.490 19 V HA -0.252 3.661 4.120 -0.345 0.000 0.250 19 V C 1.847 177.687 176.094 -0.424 0.000 1.061 19 V CA 2.235 64.137 62.300 -0.664 0.000 1.064 19 V CB -0.636 30.923 31.823 -0.440 0.000 0.670 19 V HN 0.376 nan 8.190 nan 0.000 0.461 20 D N 0.380 120.664 120.400 -0.195 0.000 2.277 20 D HA 0.018 4.451 4.640 -0.345 0.000 0.208 20 D C 1.575 177.824 176.300 -0.084 0.000 0.962 20 D CA 0.823 54.765 54.000 -0.096 0.000 0.865 20 D CB -0.073 40.717 40.800 -0.017 0.000 0.939 20 D HN 0.400 nan 8.370 nan 0.000 0.510 21 A N 0.618 123.358 122.820 -0.134 0.000 2.810 21 A HA 0.047 4.160 4.320 -0.345 0.000 0.247 21 A C 1.670 179.204 177.584 -0.084 0.000 1.576 21 A CA -0.059 51.890 52.037 -0.146 0.000 1.294 21 A CB -0.761 18.016 19.000 -0.371 0.000 0.976 21 A HN 0.140 nan 8.150 nan 0.000 0.631 22 K N -0.517 119.853 120.400 -0.051 0.000 2.152 22 K HA -0.112 4.001 4.320 -0.345 0.000 0.206 22 K C 0.643 177.332 176.600 0.148 0.000 1.048 22 K CA 1.195 57.501 56.287 0.032 0.000 0.933 22 K CB -0.080 32.435 32.500 0.026 0.000 0.721 22 K HN 0.475 nan 8.250 nan 0.000 0.447 23 L N 0.004 121.265 121.223 0.063 0.000 2.607 23 L HA 0.276 4.409 4.340 -0.345 0.000 0.228 23 L C 0.678 177.451 176.870 -0.163 0.000 1.123 23 L CA 0.877 55.715 54.840 -0.003 0.000 0.890 23 L CB 0.234 42.280 42.059 -0.022 0.000 1.103 23 L HN 0.419 nan 8.230 nan 0.000 0.468 24 G N -1.305 107.369 108.800 -0.209 0.000 2.655 24 G HA2 -0.168 3.585 3.960 -0.345 0.000 0.680 24 G HA3 -0.168 3.585 3.960 -0.345 0.000 0.680 24 G C -0.832 173.788 174.900 -0.468 0.000 1.302 24 G CA -0.973 43.702 45.100 -0.709 0.000 0.872 24 G HN -0.145 nan 8.290 nan 0.000 0.540 25 F N 0.980 120.820 119.950 -0.183 0.000 2.410 25 F HA 0.672 4.990 4.527 -0.347 0.000 0.349 25 F C 1.149 177.015 175.800 0.109 0.000 1.117 25 F CA -0.620 57.400 58.000 0.033 0.000 1.104 25 F CB 1.624 40.671 39.000 0.078 0.000 1.122 25 F HN 0.652 nan 8.300 nan 0.000 0.483 26 R N 2.325 122.950 120.500 0.207 0.000 2.577 26 R HA 0.253 4.386 4.340 -0.345 0.000 0.269 26 R C 0.102 176.395 176.300 -0.011 0.000 1.084 26 R CA -0.173 55.922 56.100 -0.008 0.000 1.163 26 R CB 0.384 30.560 30.300 -0.207 0.000 1.100 26 R HN 0.787 nan 8.270 nan 0.000 0.547 27 N N 1.703 120.232 118.700 -0.285 0.000 2.783 27 N HA -0.182 4.351 4.740 -0.345 0.000 0.247 27 N C -1.491 173.706 175.510 -0.522 0.000 1.089 27 N CA 0.873 53.629 53.050 -0.489 0.000 0.690 27 N CB -1.297 37.076 38.487 -0.191 0.000 0.991 27 N HN 0.584 nan 8.380 nan 0.000 0.552 28 H N -1.777 117.062 119.070 -0.384 0.000 2.980 28 H HA 0.287 4.640 4.556 -0.339 0.000 0.367 28 H C -0.275 174.866 175.328 -0.312 0.000 1.206 28 H CA -0.415 55.519 56.048 -0.192 0.000 1.126 28 H CB 0.821 30.426 29.762 -0.260 0.000 1.838 28 H HN 0.038 nan 8.280 nan 0.000 0.552 29 W N 1.197 122.502 121.300 0.008 0.000 2.316 29 W HA 0.351 4.801 4.660 -0.349 0.000 0.321 29 W C -0.656 175.702 176.519 -0.268 0.000 1.203 29 W CA -0.068 57.289 57.345 0.021 0.000 1.214 29 W CB 0.574 30.046 29.460 0.021 0.000 1.169 29 W HN 0.342 nan 8.180 nan 0.000 0.561 30 Y N 2.735 123.238 120.300 0.338 0.000 2.433 30 Y HA 0.322 4.660 4.550 -0.352 0.000 0.337 30 Y C -2.119 173.616 175.900 -0.275 0.000 1.026 30 Y CA -2.840 55.285 58.100 0.042 0.000 1.037 30 Y CB 1.965 40.397 38.460 -0.047 0.000 1.245 30 Y HN 0.106 nan 8.280 nan 0.000 0.443 31 P HA 0.169 nan 4.420 nan 0.000 0.285 31 P C 0.152 176.734 177.300 -1.197 0.000 1.259 31 P CA -0.156 61.941 63.100 -1.672 0.000 0.794 31 P CB 2.201 32.166 31.700 -2.892 0.000 0.940 32 V N 0.449 119.786 119.914 -0.961 0.000 3.497 32 V HA 0.357 4.271 4.120 -0.345 0.000 0.272 32 V C 0.563 176.277 176.094 -0.633 0.000 1.474 32 V CA 0.245 62.103 62.300 -0.737 0.000 1.025 32 V CB -0.598 30.985 31.823 -0.400 0.000 0.820 32 V HN 0.617 nan 8.190 nan 0.000 0.437 33 M N -1.372 117.938 119.600 -0.483 0.000 3.147 33 M HA 0.645 4.918 4.480 -0.345 0.000 0.276 33 M C -2.131 173.995 176.300 -0.290 0.000 1.211 33 M CA -0.594 54.566 55.300 -0.234 0.000 0.820 33 M CB 1.474 33.996 32.600 -0.130 0.000 1.621 33 M HN -0.119 nan 8.290 nan 0.000 0.507 34 F N 0.771 120.753 119.950 0.053 0.000 2.425 34 F HA 0.547 4.864 4.527 -0.349 0.000 0.331 34 F C 1.538 177.336 175.800 -0.002 0.000 1.085 34 F CA -0.036 57.985 58.000 0.034 0.000 1.028 34 F CB 1.940 40.940 39.000 0.001 0.000 1.177 34 F HN 0.771 nan 8.300 nan 0.000 0.487 35 S N 1.034 116.839 115.700 0.175 0.000 2.380 35 S HA -0.274 3.989 4.470 -0.345 0.000 0.229 35 S C 1.925 176.573 174.600 0.080 0.000 1.043 35 S CA 1.959 60.212 58.200 0.088 0.000 1.038 35 S CB -0.436 62.806 63.200 0.070 0.000 0.872 35 S HN 0.708 nan 8.310 nan 0.000 0.456 36 K N 1.290 121.749 120.400 0.098 0.000 2.515 36 K HA -0.015 4.098 4.320 -0.345 0.000 0.196 36 K C 1.277 177.913 176.600 0.060 0.000 1.038 36 K CA 1.228 57.550 56.287 0.058 0.000 0.967 36 K CB -0.162 32.356 32.500 0.030 0.000 0.780 36 K HN 0.387 nan 8.250 nan 0.000 0.483 37 E N 0.444 120.698 120.200 0.090 0.000 2.385 37 E HA 0.013 4.156 4.350 -0.345 0.000 0.194 37 E C -0.165 176.465 176.600 0.051 0.000 1.013 37 E CA 0.006 56.452 56.400 0.077 0.000 0.866 37 E CB 0.263 30.029 29.700 0.110 0.000 0.832 37 E HN 0.243 nan 8.360 nan 0.000 0.500 38 I N 1.875 122.469 120.570 0.039 0.000 2.354 38 I HA 0.178 4.141 4.170 -0.345 0.000 0.286 38 I C -1.047 175.076 176.117 0.010 0.000 1.007 38 I CA -0.660 60.652 61.300 0.020 0.000 1.167 38 I CB 0.500 38.505 38.000 0.009 0.000 1.320 38 I HN -0.200 nan 8.210 nan 0.000 0.458 39 N N 4.820 123.524 118.700 0.006 0.000 2.472 39 N HA 0.190 4.723 4.740 -0.345 0.000 0.289 39 N C -0.589 174.913 175.510 -0.014 0.000 1.156 39 N CA -0.643 52.407 53.050 0.001 0.000 0.940 39 N CB 1.145 39.637 38.487 0.007 0.000 1.200 39 N HN 0.532 nan 8.380 nan 0.000 0.511 40 E N 0.083 120.274 120.200 -0.014 0.000 2.608 40 E HA 0.094 4.238 4.350 -0.345 0.000 0.259 40 E C 0.865 177.447 176.600 -0.030 0.000 0.951 40 E CA 0.995 57.381 56.400 -0.023 0.000 0.945 40 E CB -0.294 29.399 29.700 -0.010 0.000 0.916 40 E HN 0.741 nan 8.360 nan 0.000 0.477 41 G N 4.109 112.873 108.800 -0.060 0.000 2.203 41 G HA2 -0.338 3.415 3.960 -0.345 0.000 0.263 41 G HA3 -0.338 3.415 3.960 -0.345 0.000 0.263 41 G C -0.129 174.753 174.900 -0.029 0.000 1.012 41 G CA 0.600 45.666 45.100 -0.057 0.000 0.749 41 G HN 0.559 nan 8.290 nan 0.000 0.512 42 E N 0.593 120.773 120.200 -0.032 0.000 2.683 42 E HA 0.272 4.415 4.350 -0.345 0.000 0.224 42 E C -2.623 173.982 176.600 0.007 0.000 1.046 42 E CA -1.979 54.424 56.400 0.004 0.000 0.811 42 E CB 1.448 31.156 29.700 0.014 0.000 1.296 42 E HN 0.194 nan 8.360 nan 0.000 0.421 43 P HA -0.087 nan 4.420 nan 0.000 0.264 43 P C -0.631 176.732 177.300 0.103 0.000 1.183 43 P CA 0.386 63.532 63.100 0.078 0.000 0.763 43 P CB 0.564 32.402 31.700 0.230 0.000 0.807 44 K N 1.627 122.090 120.400 0.106 0.000 2.316 44 K HA 0.476 4.589 4.320 -0.345 0.000 0.251 44 K C 0.089 176.766 176.600 0.127 0.000 0.934 44 K CA -0.486 55.862 56.287 0.101 0.000 0.802 44 K CB 1.891 34.434 32.500 0.072 0.000 1.171 44 K HN 0.430 nan 8.250 nan 0.000 0.426 45 T N -0.427 114.198 114.554 0.119 0.000 2.943 45 T HA 0.823 4.966 4.350 -0.345 0.000 0.284 45 T C 0.106 174.878 174.700 0.121 0.000 1.015 45 T CA -0.767 61.407 62.100 0.124 0.000 1.042 45 T CB 0.782 69.717 68.868 0.112 0.000 1.055 45 T HN 0.548 nan 8.240 nan 0.000 0.500 46 L N -1.856 119.442 121.223 0.124 0.000 2.947 46 L HA 0.704 4.837 4.340 -0.345 0.000 0.267 46 L C -1.409 175.530 176.870 0.115 0.000 1.004 46 L CA -1.264 53.666 54.840 0.150 0.000 0.937 46 L CB 1.925 44.090 42.059 0.178 0.000 1.496 46 L HN 0.851 nan 8.230 nan 0.000 0.409 47 K N 1.581 122.043 120.400 0.104 0.000 2.323 47 K HA 0.775 4.888 4.320 -0.345 0.000 0.259 47 K C -1.990 174.623 176.600 0.022 0.000 0.947 47 K CA -0.710 55.600 56.287 0.038 0.000 0.819 47 K CB 1.867 34.366 32.500 -0.002 0.000 1.109 47 K HN 0.750 nan 8.250 nan 0.000 0.429 48 L N 6.071 127.276 121.223 -0.031 0.000 2.409 48 L HA 0.350 4.483 4.340 -0.345 0.000 0.272 48 L C -0.636 176.116 176.870 -0.197 0.000 0.980 48 L CA -0.268 54.504 54.840 -0.114 0.000 0.826 48 L CB 1.277 43.255 42.059 -0.135 0.000 1.268 48 L HN 0.833 nan 8.230 nan 0.000 0.407 49 L N 5.857 126.926 121.223 -0.257 0.000 3.839 49 L HA -0.153 3.980 4.340 -0.345 0.000 0.416 49 L C 1.211 177.996 176.870 -0.141 0.000 1.195 49 L CA 1.573 56.258 54.840 -0.258 0.000 0.946 49 L CB -1.796 40.063 42.059 -0.334 0.000 1.891 49 L HN 1.145 nan 8.230 nan 0.000 0.963 50 G N -2.159 106.584 108.800 -0.095 0.000 2.199 50 G HA2 -0.280 3.473 3.960 -0.345 0.000 0.254 50 G HA3 -0.280 3.473 3.960 -0.345 0.000 0.254 50 G C 0.279 175.167 174.900 -0.020 0.000 0.982 50 G CA 0.361 45.435 45.100 -0.043 0.000 0.632 50 G HN 0.514 nan 8.290 nan 0.000 0.529 51 E N 1.058 121.239 120.200 -0.031 0.000 2.197 51 E HA 0.354 4.497 4.350 -0.345 0.000 0.281 51 E C -0.444 176.172 176.600 0.025 0.000 0.995 51 E CA -0.825 55.581 56.400 0.011 0.000 0.808 51 E CB 0.681 30.394 29.700 0.022 0.000 1.093 51 E HN 0.209 nan 8.360 nan 0.000 0.394 52 N N 3.376 122.105 118.700 0.048 0.000 2.458 52 N HA 0.237 4.771 4.740 -0.345 0.000 0.270 52 N C -0.648 174.914 175.510 0.086 0.000 1.102 52 N CA 0.184 53.271 53.050 0.061 0.000 0.967 52 N CB 0.758 39.282 38.487 0.060 0.000 1.078 52 N HN 0.327 nan 8.380 nan 0.000 0.471 53 L N 1.628 122.912 121.223 0.101 0.000 2.309 53 L HA 0.612 4.745 4.340 -0.345 0.000 0.261 53 L C -0.358 176.607 176.870 0.158 0.000 1.021 53 L CA -0.874 54.049 54.840 0.138 0.000 0.823 53 L CB 1.945 44.090 42.059 0.144 0.000 1.366 53 L HN 0.167 nan 8.230 nan 0.000 0.423 54 L N 1.557 122.906 121.223 0.210 0.000 2.385 54 L HA 0.650 4.783 4.340 -0.345 0.000 0.273 54 L C -1.137 175.959 176.870 0.376 0.000 0.990 54 L CA -0.721 54.290 54.840 0.285 0.000 0.821 54 L CB 2.477 44.738 42.059 0.338 0.000 1.279 54 L HN 0.248 nan 8.230 nan 0.000 0.412 55 V N 2.670 122.750 119.914 0.276 0.000 2.604 55 V HA 0.570 4.483 4.120 -0.345 0.000 0.305 55 V C -0.599 175.517 176.094 0.037 0.000 1.043 55 V CA -0.675 61.743 62.300 0.198 0.000 0.888 55 V CB 2.006 33.897 31.823 0.113 0.000 0.995 55 V HN 0.709 nan 8.190 nan 0.000 0.429 56 N N 2.704 121.303 118.700 -0.167 0.000 2.284 56 N HA 0.497 5.030 4.740 -0.345 0.000 0.289 56 N C -1.129 174.241 175.510 -0.232 0.000 1.179 56 N CA -0.823 51.975 53.050 -0.420 0.000 0.774 56 N CB 2.761 40.461 38.487 -1.312 0.000 1.548 56 N HN 0.678 nan 8.380 nan 0.000 0.473 57 R N 2.781 123.176 120.500 -0.175 0.000 2.343 57 R HA 0.570 4.703 4.340 -0.345 0.000 0.320 57 R C -0.972 175.291 176.300 -0.063 0.000 0.956 57 R CA -0.415 55.642 56.100 -0.071 0.000 0.836 57 R CB 0.383 30.655 30.300 -0.047 0.000 1.151 57 R HN 0.584 nan 8.270 nan 0.000 0.450 58 I N 4.464 125.062 120.570 0.048 0.000 2.439 58 I HA 0.180 4.143 4.170 -0.345 0.000 0.285 58 I C -0.515 175.666 176.117 0.107 0.000 1.021 58 I CA -0.662 60.665 61.300 0.046 0.000 1.091 58 I CB 2.014 40.017 38.000 0.006 0.000 1.242 58 I HN 0.734 nan 8.210 nan 0.000 0.439 59 D N 5.219 125.649 120.400 0.050 0.000 2.772 59 D HA -0.190 4.244 4.640 -0.345 0.000 0.233 59 D C 1.192 177.517 176.300 0.042 0.000 1.143 59 D CA 1.642 55.671 54.000 0.049 0.000 0.700 59 D CB -0.822 40.018 40.800 0.068 0.000 1.076 59 D HN 1.173 nan 8.370 nan 0.000 0.430 60 G N -0.199 108.616 108.800 0.024 0.000 2.234 60 G HA2 -0.387 3.366 3.960 -0.345 0.000 0.260 60 G HA3 -0.387 3.366 3.960 -0.345 0.000 0.260 60 G C 0.384 175.276 174.900 -0.013 0.000 0.987 60 G CA 0.940 46.043 45.100 0.005 0.000 0.625 60 G HN 0.619 nan 8.290 nan 0.000 0.532 61 K N 0.647 121.042 120.400 -0.008 0.000 2.130 61 K HA 0.688 4.801 4.320 -0.345 0.000 0.268 61 K C 0.454 176.920 176.600 -0.223 0.000 0.983 61 K CA -0.879 55.337 56.287 -0.119 0.000 0.893 61 K CB 0.481 32.895 32.500 -0.143 0.000 1.066 61 K HN 0.188 nan 8.250 nan 0.000 0.450 62 L N 4.295 125.343 121.223 -0.291 0.000 2.350 62 L HA 0.346 4.479 4.340 -0.345 0.000 0.275 62 L C -0.865 175.731 176.870 -0.455 0.000 1.099 62 L CA -0.691 54.009 54.840 -0.234 0.000 0.808 62 L CB 0.468 42.472 42.059 -0.092 0.000 1.149 62 L HN 0.634 nan 8.230 nan 0.000 0.442 63 Y N 0.894 121.225 120.300 0.052 0.000 2.492 63 Y HA 0.418 4.761 4.550 -0.344 0.000 0.346 63 Y C -0.373 175.694 175.900 0.279 0.000 0.997 63 Y CA -0.644 57.563 58.100 0.180 0.000 1.025 63 Y CB 2.103 40.706 38.460 0.238 0.000 1.263 63 Y HN 0.476 nan 8.280 nan 0.000 0.454 64 C N 5.322 124.900 119.300 0.464 0.000 2.396 64 C HA 0.832 5.085 4.460 -0.345 0.000 0.321 64 C C -1.218 173.983 174.990 0.353 0.000 1.233 64 C CA -0.677 58.589 59.018 0.413 0.000 1.440 64 C CB -0.737 27.195 27.740 0.321 0.000 2.110 64 C HN 0.834 nan 8.230 nan 0.000 0.473 65 L N 4.498 125.904 121.223 0.305 0.000 2.354 65 L HA 0.530 4.663 4.340 -0.345 0.000 0.269 65 L C -0.297 176.608 176.870 0.058 0.000 1.005 65 L CA -0.683 54.191 54.840 0.057 0.000 0.819 65 L CB 1.874 43.802 42.059 -0.218 0.000 1.311 65 L HN 0.653 nan 8.230 nan 0.000 0.423 66 K N 1.021 121.411 120.400 -0.016 0.000 2.412 66 K HA -0.028 4.085 4.320 -0.345 0.000 0.281 66 K C -0.052 176.532 176.600 -0.027 0.000 1.027 66 K CA -0.096 56.210 56.287 0.031 0.000 0.989 66 K CB 0.533 33.031 32.500 -0.003 0.000 0.935 66 K HN 0.364 nan 8.250 nan 0.000 0.475 67 D N 4.302 124.722 120.400 0.034 0.000 2.801 67 D HA 0.091 4.524 4.640 -0.345 0.000 0.232 67 D C -1.011 175.303 176.300 0.023 0.000 1.128 67 D CA 0.108 54.129 54.000 0.035 0.000 1.003 67 D CB -0.252 40.600 40.800 0.087 0.000 1.110 67 D HN 0.491 nan 8.370 nan 0.000 0.477 68 R N 2.054 122.535 120.500 -0.032 0.000 2.585 68 R HA 0.211 4.344 4.340 -0.345 0.000 0.288 68 R C -1.266 174.986 176.300 -0.080 0.000 1.194 68 R CA -0.677 55.408 56.100 -0.025 0.000 1.006 68 R CB 0.390 30.684 30.300 -0.010 0.000 1.229 68 R HN 0.255 nan 8.270 nan 0.000 0.412 69 C N 5.086 124.352 119.300 -0.057 0.000 2.657 69 C HA 0.123 4.377 4.460 -0.345 0.000 0.420 69 C C 2.049 177.006 174.990 -0.055 0.000 1.323 69 C CA -0.238 58.753 59.018 -0.045 0.000 1.894 69 C CB -0.336 27.367 27.740 -0.062 0.000 2.681 69 C HN 0.970 nan 8.230 nan 0.000 0.613 70 L N 3.844 125.096 121.223 0.049 0.000 2.201 70 L HA -0.091 4.042 4.340 -0.345 0.000 0.212 70 L C 2.465 179.267 176.870 -0.112 0.000 1.105 70 L CA 1.419 56.297 54.840 0.065 0.000 0.775 70 L CB -0.859 41.409 42.059 0.348 0.000 0.913 70 L HN 0.864 nan 8.230 nan 0.000 0.440 71 H N 0.624 119.297 119.070 -0.661 0.000 2.300 71 H HA -0.040 4.309 4.556 -0.345 0.000 0.302 71 H C 1.234 176.272 175.328 -0.484 0.000 1.049 71 H CA 0.978 56.447 56.048 -0.965 0.000 1.254 71 H CB 0.452 29.147 29.762 -1.778 0.000 1.396 71 H HN 0.052 nan 8.280 nan 0.000 0.518 72 R N -0.193 119.961 120.500 -0.577 0.000 2.546 72 R HA 0.148 4.281 4.340 -0.345 0.000 0.320 72 R C 0.729 176.927 176.300 -0.170 0.000 1.021 72 R CA 0.482 56.325 56.100 -0.428 0.000 1.088 72 R CB 0.611 30.624 30.300 -0.478 0.000 1.278 72 R HN 0.710 nan 8.270 nan 0.000 0.557 73 G N 1.477 110.196 108.800 -0.136 0.000 2.179 73 G HA2 -0.301 3.452 3.960 -0.345 0.000 0.257 73 G HA3 -0.301 3.452 3.960 -0.345 0.000 0.257 73 G C 0.414 175.317 174.900 0.005 0.000 1.010 73 G CA 0.617 45.685 45.100 -0.054 0.000 0.736 73 G HN 0.291 nan 8.290 nan 0.000 0.513 74 V N -3.157 116.771 119.914 0.024 0.000 3.083 74 V HA 0.684 4.597 4.120 -0.345 0.000 0.306 74 V C 0.543 176.721 176.094 0.140 0.000 1.077 74 V CA -0.900 61.478 62.300 0.129 0.000 1.073 74 V CB 1.315 33.266 31.823 0.213 0.000 1.081 74 V HN 0.346 nan 8.190 nan 0.000 0.474 75 Q N 1.365 121.297 119.800 0.219 0.000 2.288 75 Q HA 0.395 4.528 4.340 -0.345 0.000 0.258 75 Q C 0.825 177.031 176.000 0.343 0.000 0.957 75 Q CA -0.298 55.625 55.803 0.200 0.000 0.919 75 Q CB 1.593 30.426 28.738 0.158 0.000 1.185 75 Q HN 0.753 nan 8.270 nan 0.000 0.408 76 L N 1.370 122.738 121.223 0.242 0.000 2.131 76 L HA -0.207 3.926 4.340 -0.345 0.000 0.210 76 L C 2.249 179.343 176.870 0.373 0.000 1.092 76 L CA 1.277 56.304 54.840 0.311 0.000 0.759 76 L CB -0.470 41.686 42.059 0.162 0.000 0.903 76 L HN 0.676 nan 8.230 nan 0.000 0.435 77 S N -0.958 114.888 115.700 0.243 0.000 2.500 77 S HA -0.095 4.168 4.470 -0.345 0.000 0.239 77 S C 1.856 176.515 174.600 0.098 0.000 0.989 77 S CA 0.695 59.000 58.200 0.175 0.000 0.951 77 S CB -0.664 62.620 63.200 0.139 0.000 0.759 77 S HN 0.188 nan 8.310 nan 0.000 0.523 78 V N 1.184 121.146 119.914 0.080 0.000 2.392 78 V HA -0.004 3.909 4.120 -0.345 0.000 0.249 78 V C 1.328 177.236 176.094 -0.309 0.000 1.059 78 V CA 1.824 64.017 62.300 -0.179 0.000 1.051 78 V CB -0.642 30.947 31.823 -0.389 0.000 0.658 78 V HN 0.648 nan 8.190 nan 0.000 0.455 79 K N 0.120 120.368 120.400 -0.253 0.000 2.790 79 K HA 0.322 4.435 4.320 -0.345 0.000 0.253 79 K C -1.301 175.392 176.600 0.156 0.000 1.082 79 K CA -0.360 55.850 56.287 -0.129 0.000 1.067 79 K CB 1.659 33.981 32.500 -0.297 0.000 1.284 79 K HN 0.034 nan 8.250 nan 0.000 0.529 80 V N 3.571 123.572 119.914 0.144 0.000 2.529 80 V HA 0.062 3.975 4.120 -0.345 0.000 0.292 80 V C 0.126 176.334 176.094 0.190 0.000 1.028 80 V CA 0.451 62.871 62.300 0.200 0.000 1.074 80 V CB 0.884 32.815 31.823 0.181 0.000 0.958 80 V HN 0.702 nan 8.190 nan 0.000 0.481 81 E N 3.515 123.847 120.200 0.219 0.000 2.795 81 E HA 0.267 4.410 4.350 -0.345 0.000 0.226 81 E C -1.203 175.510 176.600 0.189 0.000 1.088 81 E CA -0.406 56.106 56.400 0.186 0.000 0.812 81 E CB 1.194 31.008 29.700 0.189 0.000 1.328 81 E HN 0.671 nan 8.360 nan 0.000 0.410 82 C N 2.949 122.367 119.300 0.197 0.000 2.192 82 C HA 0.184 4.437 4.460 -0.345 0.000 0.337 82 C C 1.561 176.645 174.990 0.156 0.000 1.103 82 C CA -0.442 58.711 59.018 0.224 0.000 1.581 82 C CB -0.576 27.323 27.740 0.264 0.000 2.070 82 C HN 0.656 nan 8.230 nan 0.000 0.485 83 K N 1.021 121.501 120.400 0.133 0.000 2.361 83 K HA 0.021 4.134 4.320 -0.345 0.000 0.196 83 K C 0.969 177.619 176.600 0.083 0.000 1.039 83 K CA 0.694 57.039 56.287 0.096 0.000 1.001 83 K CB 0.192 32.739 32.500 0.079 0.000 0.795 83 K HN 0.800 nan 8.250 nan 0.000 0.495 84 T N -3.074 111.539 114.554 0.099 0.000 2.896 84 T HA 0.249 4.392 4.350 -0.345 0.000 0.297 84 T C 0.587 175.349 174.700 0.104 0.000 1.108 84 T CA -1.011 61.137 62.100 0.081 0.000 1.004 84 T CB 2.506 71.412 68.868 0.064 0.000 1.159 84 T HN -0.121 nan 8.240 nan 0.000 0.499 85 K N 0.794 121.238 120.400 0.074 0.000 2.074 85 K HA -0.151 3.962 4.320 -0.345 0.000 0.209 85 K C 1.890 178.539 176.600 0.082 0.000 1.048 85 K CA 2.148 58.471 56.287 0.060 0.000 0.926 85 K CB -0.415 32.105 32.500 0.033 0.000 0.713 85 K HN 0.717 nan 8.250 nan 0.000 0.444 86 S N -0.784 114.979 115.700 0.105 0.000 2.577 86 S HA 0.032 4.295 4.470 -0.345 0.000 0.219 86 S C 0.379 175.161 174.600 0.304 0.000 0.962 86 S CA -0.019 58.267 58.200 0.144 0.000 0.921 86 S CB 0.042 63.276 63.200 0.056 0.000 0.789 86 S HN 0.394 nan 8.310 nan 0.000 0.497 87 T N -1.052 113.691 114.554 0.315 0.000 2.838 87 T HA 0.752 4.895 4.350 -0.345 0.000 0.292 87 T C -0.936 173.914 174.700 0.250 0.000 1.113 87 T CA -0.958 61.263 62.100 0.202 0.000 1.008 87 T CB 1.641 70.557 68.868 0.080 0.000 1.259 87 T HN 0.314 nan 8.240 nan 0.000 0.520 88 I N 0.504 121.096 120.570 0.036 0.000 2.619 88 I HA 0.552 4.515 4.170 -0.345 0.000 0.292 88 I C -1.290 174.885 176.117 0.097 0.000 1.100 88 I CA -0.501 60.860 61.300 0.103 0.000 1.043 88 I CB 2.250 40.225 38.000 -0.042 0.000 1.239 88 I HN 0.819 nan 8.210 nan 0.000 0.420 89 T N 6.528 121.160 114.554 0.130 0.000 2.779 89 T HA 0.197 4.340 4.350 -0.345 0.000 0.280 89 T C -0.475 174.312 174.700 0.146 0.000 0.987 89 T CA -0.197 61.969 62.100 0.111 0.000 0.966 89 T CB 0.901 69.825 68.868 0.094 0.000 0.933 89 T HN 0.679 nan 8.240 nan 0.000 0.442 90 C N 6.444 125.820 119.300 0.126 0.000 2.642 90 C HA 0.118 4.371 4.460 -0.345 0.000 0.420 90 C C 2.088 177.068 174.990 -0.017 0.000 1.349 90 C CA -0.667 58.365 59.018 0.023 0.000 1.821 90 C CB -0.793 26.924 27.740 -0.038 0.000 2.637 90 C HN 1.050 nan 8.230 nan 0.000 0.605 91 W N 4.999 126.372 121.300 0.123 0.000 2.525 91 W HA -0.062 4.390 4.660 -0.346 0.000 0.259 91 W C 1.307 177.884 176.519 0.097 0.000 1.253 91 W CA 0.353 57.748 57.345 0.085 0.000 1.262 91 W CB -1.136 28.346 29.460 0.037 0.000 1.122 91 W HN 0.823 nan 8.180 nan 0.000 0.607 92 Y N 2.075 121.885 120.300 -0.817 0.000 2.159 92 Y HA -0.047 4.296 4.550 -0.345 0.000 0.285 92 Y C 1.477 177.001 175.900 -0.625 0.000 1.106 92 Y CA 1.586 59.177 58.100 -0.849 0.000 1.095 92 Y CB -0.933 36.756 38.460 -1.286 0.000 1.015 92 Y HN -0.032 nan 8.280 nan 0.000 0.491 93 H N -0.923 118.103 119.070 -0.074 0.000 2.662 93 H HA 0.538 4.887 4.556 -0.345 0.000 0.268 93 H C 0.862 176.246 175.328 0.094 0.000 1.152 93 H CA 0.268 56.302 56.048 -0.024 0.000 1.072 93 H CB 0.248 29.938 29.762 -0.120 0.000 1.660 93 H HN 0.301 nan 8.280 nan 0.000 0.584 94 A N -0.332 122.571 122.820 0.139 0.000 2.860 94 A HA -0.230 3.883 4.320 -0.345 0.000 0.267 94 A C -0.309 177.375 177.584 0.168 0.000 1.421 94 A CA 0.284 52.402 52.037 0.134 0.000 0.831 94 A CB -2.463 16.595 19.000 0.098 0.000 1.041 94 A HN 0.420 nan 8.150 nan 0.000 0.623 95 W N 0.332 121.541 121.300 -0.152 0.000 2.308 95 W HA 0.477 4.930 4.660 -0.345 0.000 0.324 95 W C 0.643 176.888 176.519 -0.458 0.000 1.387 95 W CA 0.959 58.109 57.345 -0.324 0.000 1.250 95 W CB 0.312 29.572 29.460 -0.333 0.000 1.257 95 W HN 0.312 nan 8.180 nan 0.000 0.554 96 T N 4.861 119.199 114.554 -0.360 0.000 2.797 96 T HA 0.473 4.616 4.350 -0.345 0.000 0.279 96 T C -1.071 173.336 174.700 -0.488 0.000 0.991 96 T CA -0.409 61.496 62.100 -0.325 0.000 0.979 96 T CB 0.588 69.370 68.868 -0.144 0.000 0.943 96 T HN 0.035 nan 8.240 nan 0.000 0.444 97 Y N 0.948 121.200 120.300 -0.081 0.000 2.509 97 Y HA 0.561 4.905 4.550 -0.344 0.000 0.341 97 Y C 0.843 176.631 175.900 -0.187 0.000 1.038 97 Y CA -1.413 56.606 58.100 -0.134 0.000 1.089 97 Y CB 1.341 39.695 38.460 -0.178 0.000 1.241 97 Y HN 0.298 nan 8.280 nan 0.000 0.468 98 R N 0.965 121.478 120.500 0.022 0.000 2.297 98 R HA 0.071 4.204 4.340 -0.345 0.000 0.308 98 R C -0.171 176.099 176.300 -0.049 0.000 1.029 98 R CA -0.362 55.732 56.100 -0.010 0.000 0.929 98 R CB 0.759 31.068 30.300 0.014 0.000 1.046 98 R HN 0.896 nan 8.270 nan 0.000 0.461 99 W N 1.740 123.001 121.300 -0.065 0.000 2.363 99 W HA -0.180 4.272 4.660 -0.346 0.000 0.296 99 W C 2.111 178.545 176.519 -0.142 0.000 1.212 99 W CA 1.323 58.598 57.345 -0.117 0.000 1.260 99 W CB 0.125 29.428 29.460 -0.262 0.000 1.131 99 W HN 0.718 nan 8.180 nan 0.000 0.530 100 E N 0.200 120.392 120.200 -0.013 0.000 2.152 100 E HA -0.197 3.946 4.350 -0.345 0.000 0.192 100 E C 0.977 177.665 176.600 0.146 0.000 0.983 100 E CA 1.759 58.203 56.400 0.074 0.000 0.818 100 E CB -0.398 29.318 29.700 0.027 0.000 0.758 100 E HN 0.329 nan 8.360 nan 0.000 0.467 101 D N -1.693 118.756 120.400 0.082 0.000 2.525 101 D HA 0.152 4.585 4.640 -0.345 0.000 0.231 101 D C 1.244 177.564 176.300 0.034 0.000 1.216 101 D CA 0.219 54.258 54.000 0.064 0.000 0.813 101 D CB 0.356 41.186 40.800 0.050 0.000 1.108 101 D HN 0.279 nan 8.370 nan 0.000 0.524 102 G N 0.361 109.174 108.800 0.022 0.000 2.196 102 G HA2 -0.304 3.449 3.960 -0.345 0.000 0.268 102 G HA3 -0.304 3.449 3.960 -0.345 0.000 0.268 102 G C 0.362 175.316 174.900 0.091 0.000 0.975 102 G CA 0.480 45.579 45.100 -0.002 0.000 0.648 102 G HN 0.448 nan 8.290 nan 0.000 0.538 103 V N 1.285 121.242 119.914 0.072 0.000 2.673 103 V HA 0.274 4.187 4.120 -0.345 0.000 0.303 103 V C 1.093 177.234 176.094 0.079 0.000 1.046 103 V CA 0.071 62.413 62.300 0.069 0.000 1.126 103 V CB 1.427 33.260 31.823 0.018 0.000 0.934 103 V HN 0.485 nan 8.190 nan 0.000 0.487 104 L N 7.264 128.510 121.223 0.039 0.000 2.433 104 L HA 0.169 4.302 4.340 -0.345 0.000 0.284 104 L C 1.051 177.804 176.870 -0.196 0.000 1.120 104 L CA 0.308 55.044 54.840 -0.173 0.000 0.879 104 L CB 0.059 41.981 42.059 -0.228 0.000 1.232 104 L HN 0.950 nan 8.230 nan 0.000 0.454 105 C N 1.294 120.482 119.300 -0.188 0.000 2.735 105 C HA 0.462 4.715 4.460 -0.345 0.000 0.271 105 C C 0.311 175.199 174.990 -0.170 0.000 1.281 105 C CA -0.394 58.538 59.018 -0.144 0.000 1.719 105 C CB -0.561 27.128 27.740 -0.086 0.000 2.024 105 C HN 0.763 nan 8.230 nan 0.000 0.566 106 D N -0.300 119.964 120.400 -0.226 0.000 2.623 106 D HA 0.499 4.932 4.640 -0.345 0.000 0.241 106 D C -1.440 174.694 176.300 -0.276 0.000 1.241 106 D CA -0.197 53.677 54.000 -0.209 0.000 0.788 106 D CB 1.983 42.705 40.800 -0.131 0.000 1.413 106 D HN 0.218 nan 8.370 nan 0.000 0.429 107 I N 2.269 122.691 120.570 -0.246 0.000 2.540 107 I HA 0.050 4.013 4.170 -0.345 0.000 0.280 107 I C 0.726 176.772 176.117 -0.118 0.000 1.083 107 I CA -0.471 60.683 61.300 -0.243 0.000 1.080 107 I CB 1.991 39.729 38.000 -0.436 0.000 1.205 107 I HN 0.149 nan 8.210 nan 0.000 0.459 108 L N 3.852 125.047 121.223 -0.047 0.000 2.131 108 L HA -0.149 3.984 4.340 -0.345 0.000 0.210 108 L C 2.626 179.497 176.870 0.000 0.000 1.092 108 L CA 2.214 57.045 54.840 -0.015 0.000 0.759 108 L CB -0.887 41.182 42.059 0.016 0.000 0.903 108 L HN 0.753 nan 8.230 nan 0.000 0.435 109 T N -4.240 110.328 114.554 0.023 0.000 3.085 109 T HA -0.051 4.093 4.350 -0.345 0.000 0.263 109 T C 0.874 175.575 174.700 0.001 0.000 1.127 109 T CA 0.455 62.577 62.100 0.037 0.000 1.103 109 T CB -0.401 68.523 68.868 0.094 0.000 0.921 109 T HN 0.426 nan 8.240 nan 0.000 0.510 110 N N 0.878 119.551 118.700 -0.044 0.000 3.153 110 N HA 0.150 4.683 4.740 -0.345 0.000 0.208 110 N C -2.660 172.781 175.510 -0.114 0.000 1.462 110 N CA -1.074 51.933 53.050 -0.072 0.000 0.754 110 N CB 1.543 39.982 38.487 -0.080 0.000 1.558 110 N HN -0.088 nan 8.380 nan 0.000 0.605 111 P HA -0.076 nan 4.420 nan 0.000 0.231 111 P C 0.997 178.233 177.300 -0.106 0.000 1.158 111 P CA 1.106 64.145 63.100 -0.102 0.000 0.763 111 P CB 0.088 31.746 31.700 -0.070 0.000 0.805 112 T N -5.115 109.380 114.554 -0.098 0.000 3.069 112 T HA 0.107 4.250 4.350 -0.345 0.000 0.252 112 T C 0.921 175.553 174.700 -0.113 0.000 1.053 112 T CA -0.242 61.803 62.100 -0.092 0.000 0.964 112 T CB -0.660 68.168 68.868 -0.067 0.000 1.005 112 T HN -0.016 nan 8.240 nan 0.000 0.532 113 S N 0.848 116.457 115.700 -0.152 0.000 2.558 113 S HA 0.386 4.649 4.470 -0.345 0.000 0.293 113 S C 1.632 176.121 174.600 -0.185 0.000 1.292 113 S CA 0.066 58.155 58.200 -0.185 0.000 1.063 113 S CB 0.239 63.269 63.200 -0.283 0.000 0.831 113 S HN 0.601 nan 8.310 nan 0.000 0.499 114 A N 4.658 127.387 122.820 -0.152 0.000 2.168 114 A HA -0.008 4.105 4.320 -0.345 0.000 0.215 114 A C 2.096 179.582 177.584 -0.163 0.000 1.152 114 A CA 0.640 52.599 52.037 -0.130 0.000 0.716 114 A CB -0.278 18.668 19.000 -0.090 0.000 0.794 114 A HN 0.867 nan 8.150 nan 0.000 0.465 115 Q N -0.185 119.469 119.800 -0.244 0.000 2.245 115 Q HA 0.077 4.210 4.340 -0.345 0.000 0.201 115 Q C 0.480 176.285 176.000 -0.325 0.000 0.955 115 Q CA 0.323 55.945 55.803 -0.303 0.000 0.870 115 Q CB -0.289 28.145 28.738 -0.506 0.000 0.945 115 Q HN 0.693 nan 8.270 nan 0.000 0.461 116 I N 1.146 121.515 120.570 -0.336 0.000 2.741 116 I HA -0.109 3.854 4.170 -0.345 0.000 0.288 116 I C 1.326 177.331 176.117 -0.187 0.000 1.192 116 I CA 1.092 62.218 61.300 -0.290 0.000 1.426 116 I CB 0.086 37.934 38.000 -0.255 0.000 1.367 116 I HN 0.401 nan 8.210 nan 0.000 0.563 117 G N 5.368 114.073 108.800 -0.160 0.000 2.184 117 G HA2 -0.313 3.440 3.960 -0.345 0.000 0.264 117 G HA3 -0.313 3.440 3.960 -0.345 0.000 0.264 117 G C 1.111 175.964 174.900 -0.077 0.000 0.975 117 G CA 0.309 45.349 45.100 -0.100 0.000 0.642 117 G HN 0.696 nan 8.290 nan 0.000 0.536 118 R N -0.751 119.694 120.500 -0.092 0.000 2.307 118 R HA 0.194 4.327 4.340 -0.345 0.000 0.200 118 R C 0.575 176.855 176.300 -0.032 0.000 0.893 118 R CA 0.197 56.261 56.100 -0.059 0.000 1.042 118 R CB 0.198 30.458 30.300 -0.066 0.000 1.059 118 R HN 0.372 nan 8.270 nan 0.000 0.530 119 Q N 0.937 120.716 119.800 -0.035 0.000 2.248 119 Q HA 0.385 4.518 4.340 -0.345 0.000 0.263 119 Q C -0.932 175.109 176.000 0.069 0.000 1.007 119 Q CA -0.358 55.465 55.803 0.034 0.000 0.877 119 Q CB 2.486 31.270 28.738 0.078 0.000 1.315 119 Q HN -0.120 nan 8.270 nan 0.000 0.454 120 K N 1.319 121.776 120.400 0.094 0.000 2.535 120 K HA 0.319 4.432 4.320 -0.345 0.000 0.250 120 K C -1.340 175.292 176.600 0.054 0.000 0.948 120 K CA -0.697 55.640 56.287 0.083 0.000 0.796 120 K CB 1.486 34.005 32.500 0.032 0.000 1.216 120 K HN 0.411 nan 8.250 nan 0.000 0.432 121 L N 3.442 124.672 121.223 0.012 0.000 2.371 121 L HA 0.342 4.475 4.340 -0.345 0.000 0.272 121 L C -0.297 176.475 176.870 -0.163 0.000 1.124 121 L CA 0.010 54.743 54.840 -0.178 0.000 0.816 121 L CB 0.685 42.393 42.059 -0.586 0.000 1.129 121 L HN 0.504 nan 8.230 nan 0.000 0.448 122 K N 2.543 122.836 120.400 -0.178 0.000 2.451 122 K HA 0.235 4.348 4.320 -0.345 0.000 0.280 122 K C -0.491 175.927 176.600 -0.303 0.000 1.020 122 K CA 0.550 56.689 56.287 -0.247 0.000 1.008 122 K CB 0.068 32.408 32.500 -0.266 0.000 0.917 122 K HN 0.848 nan 8.250 nan 0.000 0.478 123 T N 1.187 115.542 114.554 -0.332 0.000 2.924 123 T HA 0.581 4.724 4.350 -0.345 0.000 0.291 123 T C -1.031 173.445 174.700 -0.373 0.000 1.045 123 T CA -0.728 61.245 62.100 -0.211 0.000 1.015 123 T CB 0.717 69.571 68.868 -0.023 0.000 1.103 123 T HN 0.328 nan 8.240 nan 0.000 0.496 124 Y N 0.328 120.682 120.300 0.091 0.000 2.477 124 Y HA 0.540 4.885 4.550 -0.341 0.000 0.347 124 Y C -2.569 173.392 175.900 0.102 0.000 0.981 124 Y CA -2.549 55.594 58.100 0.071 0.000 1.033 124 Y CB 2.015 40.496 38.460 0.036 0.000 1.245 124 Y HN 0.527 nan 8.280 nan 0.000 0.455 125 P HA 0.181 nan 4.420 nan 0.000 0.268 125 P C -1.154 176.321 177.300 0.291 0.000 1.205 125 P CA 0.006 63.228 63.100 0.204 0.000 0.771 125 P CB 0.690 32.443 31.700 0.087 0.000 0.858 126 V N 3.543 123.645 119.914 0.314 0.000 2.656 126 V HA 0.515 4.428 4.120 -0.345 0.000 0.307 126 V C -0.300 175.958 176.094 0.273 0.000 1.051 126 V CA -0.449 62.045 62.300 0.323 0.000 0.893 126 V CB 1.730 33.645 31.823 0.155 0.000 0.999 126 V HN 0.487 nan 8.190 nan 0.000 0.426 127 Q N 2.385 122.343 119.800 0.263 0.000 2.315 127 Q HA 0.491 4.624 4.340 -0.345 0.000 0.273 127 Q C -1.328 174.700 176.000 0.046 0.000 1.053 127 Q CA -0.593 55.230 55.803 0.034 0.000 0.817 127 Q CB 2.822 31.406 28.738 -0.257 0.000 1.326 127 Q HN 0.831 nan 8.270 nan 0.000 0.423 128 E N 1.081 121.287 120.200 0.011 0.000 2.191 128 E HA 0.737 4.880 4.350 -0.345 0.000 0.278 128 E C -1.361 175.263 176.600 0.041 0.000 0.972 128 E CA -0.557 55.871 56.400 0.046 0.000 0.804 128 E CB 1.889 31.596 29.700 0.013 0.000 1.110 128 E HN 0.566 nan 8.360 nan 0.000 0.394 129 A N 3.028 125.928 122.820 0.134 0.000 2.513 129 A HA 0.374 4.487 4.320 -0.345 0.000 0.296 129 A C -0.667 177.014 177.584 0.162 0.000 1.052 129 A CA -0.809 51.285 52.037 0.095 0.000 0.714 129 A CB 0.955 19.973 19.000 0.029 0.000 1.279 129 A HN 0.487 nan 8.150 nan 0.000 0.397 130 K N 0.931 121.343 120.400 0.020 0.000 3.071 130 K HA -0.209 3.904 4.320 -0.345 0.000 0.265 130 K C 0.948 177.612 176.600 0.106 0.000 1.060 130 K CA 1.607 57.880 56.287 -0.025 0.000 0.767 130 K CB -1.963 30.383 32.500 -0.258 0.000 1.241 130 K HN 2.614 nan 8.250 nan 0.000 0.486 131 G N -1.268 107.597 108.800 0.108 0.000 2.179 131 G HA2 -0.370 3.383 3.960 -0.345 0.000 0.257 131 G HA3 -0.370 3.383 3.960 -0.345 0.000 0.257 131 G C 0.268 175.324 174.900 0.260 0.000 1.010 131 G CA 0.415 45.611 45.100 0.161 0.000 0.736 131 G HN 0.471 nan 8.290 nan 0.000 0.513 132 C N -0.372 119.024 119.300 0.159 0.000 2.507 132 C HA 0.678 4.931 4.460 -0.345 0.000 0.319 132 C C 0.568 175.409 174.990 -0.249 0.000 1.208 132 C CA -0.985 57.986 59.018 -0.078 0.000 1.619 132 C CB 1.800 29.445 27.740 -0.159 0.000 2.230 132 C HN 0.376 nan 8.230 nan 0.000 0.492 133 V N 3.199 122.857 119.914 -0.428 0.000 2.364 133 V HA 0.390 4.303 4.120 -0.345 0.000 0.272 133 V C -0.519 175.254 176.094 -0.535 0.000 1.036 133 V CA 0.055 62.168 62.300 -0.311 0.000 0.880 133 V CB 0.247 31.953 31.823 -0.194 0.000 0.991 133 V HN 0.684 nan 8.190 nan 0.000 0.460 134 F N 5.046 124.900 119.950 -0.160 0.000 2.443 134 F HA 0.636 4.954 4.527 -0.348 0.000 0.335 134 F C 0.215 176.162 175.800 0.245 0.000 1.104 134 F CA -0.554 57.408 58.000 -0.064 0.000 1.013 134 F CB 1.572 40.495 39.000 -0.128 0.000 1.136 134 F HN 0.246 nan 8.300 nan 0.000 0.470 135 I N 3.304 124.119 120.570 0.409 0.000 2.433 135 I HA 0.166 4.129 4.170 -0.345 0.000 0.292 135 I C -1.224 175.014 176.117 0.201 0.000 1.001 135 I CA -1.086 60.399 61.300 0.308 0.000 1.119 135 I CB 1.783 39.842 38.000 0.099 0.000 1.289 135 I HN 0.488 nan 8.210 nan 0.000 0.438 136 Y N 7.450 127.543 120.300 -0.344 0.000 2.556 136 Y HA 0.228 4.570 4.550 -0.345 0.000 0.352 136 Y C -0.337 175.338 175.900 -0.376 0.000 1.006 136 Y CA -0.536 57.087 58.100 -0.794 0.000 1.277 136 Y CB 0.521 38.047 38.460 -1.557 0.000 1.136 136 Y HN 0.363 nan 8.280 nan 0.000 0.523 137 L N 7.407 128.257 121.223 -0.622 0.000 2.387 137 L HA 0.493 4.626 4.340 -0.345 0.000 0.267 137 L C 0.148 176.586 176.870 -0.720 0.000 1.197 137 L CA 0.517 54.908 54.840 -0.749 0.000 1.070 137 L CB -0.980 40.779 42.059 -0.500 0.000 1.349 137 L HN 0.911 nan 8.230 nan 0.000 0.422 138 G N 3.315 111.754 108.800 -0.603 0.000 2.548 138 G HA2 0.388 4.141 3.960 -0.345 0.000 0.301 138 G HA3 0.388 4.141 3.960 -0.345 0.000 0.301 138 G C -1.721 173.224 174.900 0.076 0.000 1.349 138 G CA -0.611 44.230 45.100 -0.432 0.000 0.792 138 G HN 0.306 nan 8.290 nan 0.000 0.481 139 D N -0.384 120.088 120.400 0.121 0.000 2.269 139 D HA 0.631 5.064 4.640 -0.345 0.000 0.244 139 D C 0.727 177.127 176.300 0.167 0.000 0.992 139 D CA 0.914 55.003 54.000 0.147 0.000 0.894 139 D CB 1.812 42.670 40.800 0.097 0.000 1.248 139 D HN 1.419 nan 8.370 nan 0.000 0.468 140 G N 1.276 110.140 108.800 0.106 0.000 2.795 140 G HA2 -0.184 3.569 3.960 -0.345 0.000 0.664 140 G HA3 -0.184 3.569 3.960 -0.345 0.000 0.664 140 G C -0.827 174.096 174.900 0.038 0.000 1.381 140 G CA -0.872 44.267 45.100 0.065 0.000 0.853 140 G HN 0.491 nan 8.290 nan 0.000 0.545 141 D N 2.218 122.612 120.400 -0.010 0.000 2.458 141 D HA 0.388 4.821 4.640 -0.345 0.000 0.243 141 D C -0.889 175.299 176.300 -0.186 0.000 1.146 141 D CA 0.088 54.051 54.000 -0.061 0.000 0.877 141 D CB 0.750 41.529 40.800 -0.035 0.000 1.176 141 D HN 0.450 nan 8.370 nan 0.000 0.461 142 P HA 0.208 nan 4.420 nan 0.000 0.272 142 P C -2.428 174.676 177.300 -0.326 0.000 1.223 142 P CA -1.010 61.603 63.100 -0.812 0.000 0.784 142 P CB 0.307 31.432 31.700 -0.958 0.000 0.923 143 P HA 0.377 nan 4.420 nan 0.000 0.282 143 P C -2.656 174.719 177.300 0.124 0.000 1.287 143 P CA -1.963 61.120 63.100 -0.027 0.000 0.792 143 P CB -1.016 30.684 31.700 0.000 0.000 1.163 144 P HA 0.057 nan 4.420 nan 0.000 0.271 144 P C 0.964 178.184 177.300 -0.134 0.000 1.216 144 P CA -0.225 62.844 63.100 -0.051 0.000 0.776 144 P CB 0.234 31.890 31.700 -0.073 0.000 0.881 145 L N 4.093 125.036 121.223 -0.467 0.000 2.127 145 L HA -0.175 3.958 4.340 -0.345 0.000 0.211 145 L C 2.048 178.638 176.870 -0.466 0.000 1.089 145 L CA 2.165 56.486 54.840 -0.864 0.000 0.757 145 L CB -1.427 39.958 42.059 -1.123 0.000 0.899 145 L HN 0.428 nan 8.230 nan 0.000 0.434 146 A N -0.414 122.219 122.820 -0.311 0.000 2.024 146 A HA -0.270 3.843 4.320 -0.345 0.000 0.220 146 A C 2.520 180.011 177.584 -0.155 0.000 1.164 146 A CA 1.750 53.656 52.037 -0.219 0.000 0.643 146 A CB -0.739 18.158 19.000 -0.170 0.000 0.806 146 A HN 0.552 nan 8.150 nan 0.000 0.451 147 R N -0.240 120.208 120.500 -0.086 0.000 2.105 147 R HA -0.145 3.988 4.340 -0.345 0.000 0.239 147 R C -0.011 176.309 176.300 0.034 0.000 1.135 147 R CA 1.712 57.808 56.100 -0.007 0.000 0.967 147 R CB -0.172 30.161 30.300 0.055 0.000 0.861 147 R HN 0.367 nan 8.270 nan 0.000 0.442 148 D N 0.716 121.145 120.400 0.048 0.000 2.491 148 D HA 0.053 4.486 4.640 -0.345 0.000 0.228 148 D C -0.318 176.002 176.300 0.034 0.000 1.183 148 D CA 0.278 54.345 54.000 0.113 0.000 0.827 148 D CB 0.853 41.801 40.800 0.246 0.000 0.989 148 D HN 0.312 nan 8.370 nan 0.000 0.494 149 T N -2.694 111.791 114.554 -0.116 0.000 2.907 149 T HA 0.644 4.787 4.350 -0.345 0.000 0.292 149 T C -3.080 171.369 174.700 -0.418 0.000 1.043 149 T CA -2.358 59.626 62.100 -0.193 0.000 1.003 149 T CB 2.882 71.628 68.868 -0.202 0.000 1.084 149 T HN -0.321 nan 8.240 nan 0.000 0.483 150 P HA 0.443 nan 4.420 nan 0.000 0.279 150 P C -2.686 174.289 177.300 -0.542 0.000 1.252 150 P CA -1.700 60.894 63.100 -0.843 0.000 0.811 150 P CB -0.459 30.981 31.700 -0.432 0.000 1.035 151 P HA -0.022 nan 4.420 nan 0.000 0.265 151 P C -0.089 177.195 177.300 -0.027 0.000 1.187 151 P CA 0.825 63.781 63.100 -0.239 0.000 0.766 151 P CB -0.153 31.463 31.700 -0.141 0.000 0.820 152 N N -0.509 118.174 118.700 -0.029 0.000 2.951 152 N HA -0.295 4.238 4.740 -0.345 0.000 0.213 152 N C 0.670 176.145 175.510 -0.058 0.000 0.877 152 N CA 0.953 54.021 53.050 0.030 0.000 1.042 152 N CB -2.285 36.311 38.487 0.181 0.000 1.005 152 N HN 0.377 nan 8.380 nan 0.000 0.604 153 F N 1.394 121.071 119.950 -0.455 0.000 2.120 153 F HA 0.018 4.341 4.527 -0.341 0.000 0.300 153 F C 1.404 177.021 175.800 -0.304 0.000 1.095 153 F CA 1.576 59.138 58.000 -0.730 0.000 1.249 153 F CB -0.031 38.482 39.000 -0.812 0.000 0.995 153 F HN 0.145 nan 8.300 nan 0.000 0.480 154 L N 0.084 121.176 121.223 -0.218 0.000 2.629 154 L HA 0.088 4.221 4.340 -0.345 0.000 0.230 154 L C -0.159 176.599 176.870 -0.187 0.000 1.151 154 L CA -0.379 54.321 54.840 -0.233 0.000 0.924 154 L CB -0.787 41.196 42.059 -0.127 0.000 1.137 154 L HN -0.120 nan 8.230 nan 0.000 0.457 155 D N 0.949 121.252 120.400 -0.162 0.000 2.488 155 D HA -0.077 4.356 4.640 -0.345 0.000 0.238 155 D C 1.011 177.244 176.300 -0.112 0.000 1.138 155 D CA 0.261 54.197 54.000 -0.106 0.000 0.873 155 D CB 0.976 41.736 40.800 -0.065 0.000 1.183 155 D HN 0.071 nan 8.370 nan 0.000 0.458 156 D N 1.554 121.902 120.400 -0.086 0.000 2.158 156 D HA -0.201 4.232 4.640 -0.345 0.000 0.197 156 D C 1.020 177.277 176.300 -0.072 0.000 0.995 156 D CA 1.356 55.310 54.000 -0.078 0.000 0.846 156 D CB 0.051 40.816 40.800 -0.060 0.000 0.941 156 D HN 0.613 nan 8.370 nan 0.000 0.456 157 D N -0.948 119.414 120.400 -0.064 0.000 2.339 157 D HA 0.001 4.434 4.640 -0.345 0.000 0.217 157 D C 0.639 176.897 176.300 -0.069 0.000 1.050 157 D CA -0.213 53.752 54.000 -0.058 0.000 0.856 157 D CB -0.152 40.619 40.800 -0.049 0.000 0.922 157 D HN -0.038 nan 8.370 nan 0.000 0.518 158 M N 1.797 121.348 119.600 -0.082 0.000 2.220 158 M HA 0.209 4.482 4.480 -0.345 0.000 0.343 158 M C -0.622 175.626 176.300 -0.088 0.000 1.470 158 M CA -0.469 54.781 55.300 -0.083 0.000 1.161 158 M CB 0.718 33.264 32.600 -0.090 0.000 1.737 158 M HN -0.175 nan 8.290 nan 0.000 0.464 159 E N 5.172 125.335 120.200 -0.061 0.000 2.152 159 E HA 0.301 4.444 4.350 -0.345 0.000 0.285 159 E C -1.286 175.372 176.600 0.097 0.000 1.043 159 E CA -0.074 56.336 56.400 0.017 0.000 0.839 159 E CB 0.288 30.041 29.700 0.087 0.000 1.069 159 E HN 0.571 nan 8.360 nan 0.000 0.399 160 I N 6.549 127.139 120.570 0.034 0.000 2.336 160 I HA 0.349 4.313 4.170 -0.345 0.000 0.292 160 I C -0.194 175.918 176.117 -0.009 0.000 0.991 160 I CA -0.575 60.764 61.300 0.067 0.000 1.227 160 I CB 0.381 38.385 38.000 0.007 0.000 1.366 160 I HN 0.545 nan 8.210 nan 0.000 0.466 161 L N 5.046 126.192 121.223 -0.129 0.000 2.393 161 L HA 0.946 5.079 4.340 -0.345 0.000 0.260 161 L C 0.219 176.840 176.870 -0.416 0.000 1.002 161 L CA -0.450 54.056 54.840 -0.558 0.000 0.818 161 L CB 2.584 43.830 42.059 -1.355 0.000 1.369 161 L HN 0.760 nan 8.230 nan 0.000 0.412 162 G N 1.062 109.644 108.800 -0.363 0.000 2.348 162 G HA2 0.453 4.206 3.960 -0.345 0.000 0.296 162 G HA3 0.453 4.206 3.960 -0.345 0.000 0.296 162 G C -2.256 172.612 174.900 -0.053 0.000 1.258 162 G CA -0.555 44.599 45.100 0.091 0.000 0.868 162 G HN 0.680 nan 8.290 nan 0.000 0.488 163 K N -1.152 119.279 120.400 0.051 0.000 2.533 163 K HA 0.753 4.866 4.320 -0.345 0.000 0.272 163 K C -1.535 175.082 176.600 0.029 0.000 0.985 163 K CA -1.080 55.226 56.287 0.033 0.000 0.876 163 K CB 2.423 34.940 32.500 0.028 0.000 1.452 163 K HN 0.621 nan 8.250 nan 0.000 0.439 164 N N 0.611 119.372 118.700 0.102 0.000 2.277 164 N HA 0.308 4.841 4.740 -0.345 0.000 0.286 164 N C -2.028 173.593 175.510 0.185 0.000 1.140 164 N CA -0.385 52.704 53.050 0.066 0.000 0.799 164 N CB 2.136 40.612 38.487 -0.018 0.000 1.596 164 N HN 0.814 nan 8.380 nan 0.000 0.473 165 Q N 1.363 121.332 119.800 0.281 0.000 2.630 165 Q HA 0.510 4.643 4.340 -0.345 0.000 0.295 165 Q C -1.384 174.814 176.000 0.329 0.000 0.944 165 Q CA -0.880 55.095 55.803 0.286 0.000 0.766 165 Q CB 1.292 30.163 28.738 0.222 0.000 1.471 165 Q HN 0.499 nan 8.270 nan 0.000 0.416 166 I N 1.740 122.421 120.570 0.186 0.000 2.331 166 I HA 0.376 4.340 4.170 -0.345 0.000 0.292 166 I C -0.537 175.555 176.117 -0.040 0.000 0.998 166 I CA -0.961 60.344 61.300 0.008 0.000 1.267 166 I CB 1.068 39.029 38.000 -0.066 0.000 1.386 166 I HN 0.465 nan 8.210 nan 0.000 0.476 167 I N 6.053 126.496 120.570 -0.211 0.000 2.530 167 I HA 0.264 4.227 4.170 -0.345 0.000 0.297 167 I C 0.213 176.200 176.117 -0.216 0.000 1.011 167 I CA -0.878 60.280 61.300 -0.237 0.000 1.107 167 I CB 1.813 39.584 38.000 -0.382 0.000 1.285 167 I HN 0.494 nan 8.210 nan 0.000 0.436 168 K N 4.138 124.509 120.400 -0.049 0.000 2.307 168 K HA 0.287 4.400 4.320 -0.345 0.000 0.240 168 K C -0.202 176.446 176.600 0.080 0.000 1.214 168 K CA -0.080 56.217 56.287 0.016 0.000 1.149 168 K CB 0.202 32.718 32.500 0.027 0.000 1.668 168 K HN 0.707 nan 8.250 nan 0.000 0.314 169 S N 0.413 116.208 115.700 0.158 0.000 2.578 169 S HA 0.136 4.399 4.470 -0.345 0.000 0.272 169 S C -1.104 173.656 174.600 0.268 0.000 1.145 169 S CA -1.168 57.143 58.200 0.185 0.000 0.835 169 S CB 1.089 64.388 63.200 0.166 0.000 1.104 169 S HN 0.478 nan 8.310 nan 0.000 0.458 170 N N 1.790 120.564 118.700 0.122 0.000 2.441 170 N HA 0.000 4.533 4.740 -0.345 0.000 0.251 170 N C 1.656 177.154 175.510 -0.020 0.000 1.242 170 N CA 0.349 53.454 53.050 0.092 0.000 0.898 170 N CB 0.422 38.904 38.487 -0.009 0.000 1.100 170 N HN 0.926 nan 8.380 nan 0.000 0.443 171 W N 5.213 126.475 121.300 -0.063 0.000 2.350 171 W HA -0.155 4.295 4.660 -0.349 0.000 0.289 171 W C 1.140 177.541 176.519 -0.197 0.000 1.215 171 W CA 0.390 57.618 57.345 -0.194 0.000 1.236 171 W CB -0.765 28.688 29.460 -0.011 0.000 1.130 171 W HN 0.590 nan 8.180 nan 0.000 0.541 172 R N 0.791 120.593 120.500 -1.164 0.000 2.115 172 R HA -0.048 4.085 4.340 -0.345 0.000 0.230 172 R C 2.543 178.566 176.300 -0.461 0.000 1.111 172 R CA 1.734 57.261 56.100 -0.955 0.000 0.976 172 R CB -0.573 29.130 30.300 -0.994 0.000 0.870 172 R HN 0.253 nan 8.270 nan 0.000 0.445 173 L N -0.061 120.909 121.223 -0.422 0.000 2.141 173 L HA -0.099 4.034 4.340 -0.345 0.000 0.209 173 L C 2.604 179.221 176.870 -0.423 0.000 1.094 173 L CA 1.028 55.644 54.840 -0.373 0.000 0.763 173 L CB -0.550 41.343 42.059 -0.277 0.000 0.908 173 L HN 0.241 nan 8.230 nan 0.000 0.437 174 A N -0.154 122.342 122.820 -0.539 0.000 1.873 174 A HA -0.112 4.001 4.320 -0.345 0.000 0.215 174 A C 2.351 179.235 177.584 -1.166 0.000 1.186 174 A CA 1.448 53.028 52.037 -0.761 0.000 0.616 174 A CB -0.730 17.741 19.000 -0.883 0.000 0.823 174 A HN 0.143 nan 8.150 nan 0.000 0.442 175 V N 0.305 119.597 119.914 -1.037 0.000 2.255 175 V HA -0.300 3.613 4.120 -0.345 0.000 0.247 175 V C 2.453 178.177 176.094 -0.617 0.000 1.051 175 V CA 2.420 64.182 62.300 -0.896 0.000 1.018 175 V CB -0.920 30.628 31.823 -0.457 0.000 0.641 175 V HN 0.639 nan 8.190 nan 0.000 0.445 176 E N 0.089 120.033 120.200 -0.425 0.000 2.110 176 E HA -0.273 3.870 4.350 -0.345 0.000 0.193 176 E C 2.080 178.496 176.600 -0.308 0.000 0.988 176 E CA 1.519 57.759 56.400 -0.266 0.000 0.804 176 E CB -0.290 29.328 29.700 -0.135 0.000 0.745 176 E HN 0.673 nan 8.360 nan 0.000 0.458 177 N N 0.398 118.851 118.700 -0.412 0.000 2.120 177 N HA -0.124 4.409 4.740 -0.345 0.000 0.188 177 N C 1.886 176.976 175.510 -0.700 0.000 1.024 177 N CA 1.625 54.368 53.050 -0.511 0.000 0.852 177 N CB -0.301 37.908 38.487 -0.463 0.000 1.003 177 N HN 0.125 nan 8.380 nan 0.000 0.424 178 G N -1.221 107.291 108.800 -0.480 0.000 2.408 178 G HA2 -0.204 3.549 3.960 -0.345 0.000 0.217 178 G HA3 -0.204 3.549 3.960 -0.345 0.000 0.217 178 G C 1.121 175.991 174.900 -0.051 0.000 1.150 178 G CA 0.356 45.327 45.100 -0.215 0.000 0.776 178 G HN 0.392 nan 8.290 nan 0.000 0.542 179 F N 1.440 121.219 119.950 -0.286 0.000 2.789 179 F HA 0.284 4.582 4.527 -0.381 0.000 0.300 179 F C 0.636 176.357 175.800 -0.132 0.000 1.132 179 F CA -1.178 56.693 58.000 -0.216 0.000 1.404 179 F CB 0.156 38.955 39.000 -0.335 0.000 1.114 179 F HN -0.034 nan 8.300 nan 0.000 0.584 180 D N 1.744 122.046 120.400 -0.164 0.000 2.363 180 D HA 0.015 4.448 4.640 -0.345 0.000 0.263 180 D C -1.835 174.512 176.300 0.077 0.000 1.258 180 D CA -1.617 52.324 54.000 -0.099 0.000 0.907 180 D CB 1.419 42.157 40.800 -0.103 0.000 1.107 180 D HN 0.090 nan 8.370 nan 0.000 0.495 181 P HA -0.079 nan 4.420 nan 0.000 0.215 181 P C 1.116 178.527 177.300 0.186 0.000 1.157 181 P CA 0.834 63.919 63.100 -0.024 0.000 0.863 181 P CB 0.287 31.863 31.700 -0.207 0.000 0.787 182 S N -1.242 114.555 115.700 0.163 0.000 2.561 182 S HA -0.105 4.158 4.470 -0.345 0.000 0.225 182 S C 1.612 176.319 174.600 0.178 0.000 0.977 182 S CA 0.371 58.688 58.200 0.195 0.000 0.926 182 S CB -1.143 62.212 63.200 0.260 0.000 0.769 182 S HN 0.445 nan 8.310 nan 0.000 0.533 183 H N 0.662 119.781 119.070 0.081 0.000 2.556 183 H HA 0.214 4.660 4.556 -0.184 0.000 0.268 183 H C 1.750 177.109 175.328 0.052 0.000 0.996 183 H CA 0.238 56.308 56.048 0.037 0.000 1.157 183 H CB -0.549 29.195 29.762 -0.031 0.000 1.355 183 H HN 0.441 nan 8.280 nan 0.000 0.597 184 I N 0.618 120.975 120.570 -0.355 0.000 2.399 184 I HA -0.338 3.625 4.170 -0.345 0.000 0.254 184 I C 2.256 178.312 176.117 -0.102 0.000 1.146 184 I CA 1.098 62.272 61.300 -0.210 0.000 1.412 184 I CB -0.440 37.530 38.000 -0.050 0.000 1.076 184 I HN 0.176 nan 8.210 nan 0.000 0.432 185 Y N 2.119 122.310 120.300 -0.181 0.000 2.241 185 Y HA -0.263 4.075 4.550 -0.354 0.000 0.286 185 Y C 2.134 177.931 175.900 -0.171 0.000 1.166 185 Y CA 2.218 60.231 58.100 -0.145 0.000 1.203 185 Y CB -0.442 37.957 38.460 -0.102 0.000 0.977 185 Y HN 0.432 nan 8.280 nan 0.000 0.529 186 I N -2.890 117.514 120.570 -0.276 0.000 3.176 186 I HA -0.124 3.839 4.170 -0.345 0.000 0.275 186 I C 1.011 176.785 176.117 -0.572 0.000 1.298 186 I CA 1.202 62.241 61.300 -0.434 0.000 1.445 186 I CB -0.453 37.234 38.000 -0.522 0.000 1.075 186 I HN 0.152 nan 8.210 nan 0.000 0.482 187 H N 2.360 121.232 119.070 -0.330 0.000 2.594 187 H HA 0.147 4.469 4.556 -0.390 0.000 0.279 187 H C 1.480 176.705 175.328 -0.172 0.000 1.042 187 H CA 0.297 56.128 56.048 -0.362 0.000 1.177 187 H CB 0.209 29.625 29.762 -0.577 0.000 1.524 187 H HN 0.583 nan 8.280 nan 0.000 0.537 188 K N 0.354 120.671 120.400 -0.138 0.000 2.442 188 K HA -0.092 4.021 4.320 -0.345 0.000 0.198 188 K C -0.017 176.549 176.600 -0.056 0.000 1.044 188 K CA 1.398 57.613 56.287 -0.121 0.000 0.948 188 K CB 0.296 32.629 32.500 -0.278 0.000 0.762 188 K HN -0.001 nan 8.250 nan 0.000 0.472 189 D N 0.878 121.254 120.400 -0.040 0.000 2.513 189 D HA 0.030 4.463 4.640 -0.345 0.000 0.222 189 D C -0.451 175.883 176.300 0.057 0.000 1.210 189 D CA -0.029 53.974 54.000 0.004 0.000 0.825 189 D CB 0.828 41.620 40.800 -0.014 0.000 1.037 189 D HN 0.126 nan 8.370 nan 0.000 0.506 190 S N 1.010 116.768 115.700 0.096 0.000 2.560 190 S HA 0.044 4.307 4.470 -0.345 0.000 0.284 190 S C 1.901 176.603 174.600 0.169 0.000 1.327 190 S CA -0.505 57.794 58.200 0.165 0.000 1.055 190 S CB 0.431 63.802 63.200 0.285 0.000 0.868 190 S HN 0.277 nan 8.310 nan 0.000 0.506 191 I N 3.077 123.739 120.570 0.153 0.000 2.493 191 I HA -0.040 3.923 4.170 -0.345 0.000 0.254 191 I C 1.968 178.161 176.117 0.127 0.000 1.160 191 I CA 1.063 62.432 61.300 0.116 0.000 1.445 191 I CB -0.389 37.666 38.000 0.091 0.000 1.086 191 I HN 0.566 nan 8.210 nan 0.000 0.433 192 L N 1.192 122.528 121.223 0.188 0.000 2.131 192 L HA -0.090 4.043 4.340 -0.345 0.000 0.210 192 L C 2.372 179.317 176.870 0.125 0.000 1.092 192 L CA 1.541 56.475 54.840 0.157 0.000 0.759 192 L CB -0.411 41.762 42.059 0.191 0.000 0.903 192 L HN 0.105 nan 8.230 nan 0.000 0.435 193 V N -0.054 119.964 119.914 0.173 0.000 2.255 193 V HA -0.331 3.582 4.120 -0.345 0.000 0.247 193 V C 2.602 178.752 176.094 0.093 0.000 1.051 193 V CA 2.368 64.752 62.300 0.139 0.000 1.018 193 V CB -0.744 31.173 31.823 0.155 0.000 0.641 193 V HN 0.551 nan 8.190 nan 0.000 0.445 194 K N 0.077 120.527 120.400 0.084 0.000 2.044 194 K HA -0.141 3.972 4.320 -0.345 0.000 0.204 194 K C 1.657 178.287 176.600 0.049 0.000 1.045 194 K CA 1.615 57.940 56.287 0.063 0.000 0.951 194 K CB -0.232 32.302 32.500 0.055 0.000 0.738 194 K HN 0.390 nan 8.250 nan 0.000 0.443 195 D N 0.357 120.785 120.400 0.046 0.000 2.384 195 D HA -0.098 4.335 4.640 -0.345 0.000 0.222 195 D C 0.570 176.882 176.300 0.020 0.000 0.976 195 D CA 0.863 54.878 54.000 0.024 0.000 0.915 195 D CB 0.020 40.830 40.800 0.016 0.000 0.896 195 D HN 0.234 nan 8.370 nan 0.000 0.523 196 N N -0.018 118.707 118.700 0.041 0.000 2.240 196 N HA -0.005 4.528 4.740 -0.345 0.000 0.240 196 N C -0.976 174.562 175.510 0.046 0.000 1.277 196 N CA -0.110 52.970 53.050 0.050 0.000 0.873 196 N CB 0.389 38.922 38.487 0.078 0.000 1.222 196 N HN -0.206 nan 8.380 nan 0.000 0.507 197 D N 0.630 121.058 120.400 0.047 0.000 2.755 197 D HA -0.216 4.217 4.640 -0.345 0.000 0.227 197 D C -0.834 175.499 176.300 0.054 0.000 1.211 197 D CA 0.611 54.642 54.000 0.052 0.000 0.663 197 D CB -0.893 39.933 40.800 0.044 0.000 0.983 197 D HN 0.391 nan 8.370 nan 0.000 0.407 198 L N 0.019 121.276 121.223 0.058 0.000 2.395 198 L HA 0.544 4.677 4.340 -0.345 0.000 0.269 198 L C 1.072 177.999 176.870 0.094 0.000 1.133 198 L CA -0.414 54.462 54.840 0.060 0.000 0.812 198 L CB 1.075 43.163 42.059 0.049 0.000 1.125 198 L HN 0.309 nan 8.230 nan 0.000 0.452 199 A N 4.009 126.896 122.820 0.113 0.000 2.260 199 A HA 0.637 4.750 4.320 -0.345 0.000 0.308 199 A C -0.850 176.852 177.584 0.197 0.000 1.254 199 A CA -0.276 51.863 52.037 0.170 0.000 0.874 199 A CB 0.548 19.651 19.000 0.170 0.000 1.153 199 A HN 0.498 nan 8.150 nan 0.000 0.527 200 L N 5.814 127.156 121.223 0.197 0.000 2.491 200 L HA 0.507 4.640 4.340 -0.345 0.000 0.267 200 L C -2.477 174.280 176.870 -0.188 0.000 0.971 200 L CA -1.377 53.502 54.840 0.065 0.000 0.857 200 L CB 2.512 44.630 42.059 0.098 0.000 1.226 200 L HN 0.491 nan 8.230 nan 0.000 0.408 201 P HA 0.199 nan 4.420 nan 0.000 0.275 201 P C 0.457 177.378 177.300 -0.631 0.000 1.266 201 P CA -0.282 62.120 63.100 -1.162 0.000 0.793 201 P CB 1.299 32.203 31.700 -1.327 0.000 1.074 202 L N -1.342 119.542 121.223 -0.566 0.000 2.354 202 L HA 0.288 4.421 4.340 -0.345 0.000 0.212 202 L C 1.512 178.237 176.870 -0.241 0.000 1.091 202 L CA 1.031 55.732 54.840 -0.231 0.000 0.828 202 L CB -0.378 41.640 42.059 -0.068 0.000 0.973 202 L HN 0.594 nan 8.230 nan 0.000 0.461 203 G N -1.253 107.240 108.800 -0.511 0.000 2.578 203 G HA2 0.473 4.226 3.960 -0.345 0.000 0.302 203 G HA3 0.473 4.226 3.960 -0.345 0.000 0.302 203 G C -1.958 172.396 174.900 -0.909 0.000 1.243 203 G CA -0.456 44.348 45.100 -0.493 0.000 0.843 203 G HN -0.165 nan 8.290 nan 0.000 0.486 204 F N 0.058 119.960 119.950 -0.080 0.000 2.596 204 F HA 0.689 5.003 4.527 -0.355 0.000 0.311 204 F C 0.284 176.046 175.800 -0.063 0.000 1.116 204 F CA -0.693 57.262 58.000 -0.075 0.000 0.957 204 F CB 2.571 41.518 39.000 -0.088 0.000 1.250 204 F HN 0.686 nan 8.300 nan 0.000 0.444 205 A N 4.135 127.036 122.820 0.135 0.000 2.260 205 A HA 0.743 4.856 4.320 -0.345 0.000 0.312 205 A C -2.678 174.954 177.584 0.081 0.000 1.321 205 A CA -1.713 50.370 52.037 0.077 0.000 0.928 205 A CB -0.105 18.933 19.000 0.063 0.000 1.158 205 A HN 0.389 nan 8.150 nan 0.000 0.542 206 P HA 0.327 nan 4.420 nan 0.000 0.267 206 P C 0.376 177.696 177.300 0.034 0.000 1.200 206 P CA 0.376 63.485 63.100 0.015 0.000 0.772 206 P CB 0.955 32.635 31.700 -0.034 0.000 0.855 207 G N 0.239 109.069 108.800 0.049 0.000 2.682 207 G HA2 0.639 4.392 3.960 -0.345 0.000 0.300 207 G HA3 0.639 4.392 3.960 -0.345 0.000 0.300 207 G C -0.485 174.426 174.900 0.019 0.000 1.391 207 G CA -0.192 44.943 45.100 0.059 0.000 0.990 207 G HN 0.801 nan 8.290 nan 0.000 0.501 208 G N 1.339 110.097 108.800 -0.070 0.000 2.660 208 G HA2 0.309 4.062 3.960 -0.345 0.000 0.247 208 G HA3 0.309 4.062 3.960 -0.345 0.000 0.247 208 G C -0.300 174.535 174.900 -0.108 0.000 1.328 208 G CA 0.214 45.199 45.100 -0.193 0.000 0.884 208 G HN 1.477 nan 8.290 nan 0.000 0.531 209 D N -0.938 119.392 120.400 -0.116 0.000 2.432 209 D HA 0.545 4.978 4.640 -0.345 0.000 0.258 209 D C 1.591 177.868 176.300 -0.037 0.000 1.146 209 D CA -0.136 53.828 54.000 -0.060 0.000 1.015 209 D CB 0.644 41.412 40.800 -0.052 0.000 1.107 209 D HN 0.695 nan 8.370 nan 0.000 0.529 210 R N 0.113 120.602 120.500 -0.018 0.000 2.112 210 R HA -0.272 3.861 4.340 -0.345 0.000 0.242 210 R C 1.871 178.172 176.300 0.001 0.000 1.137 210 R CA 1.961 58.057 56.100 -0.006 0.000 0.944 210 R CB -0.244 30.061 30.300 0.008 0.000 0.857 210 R HN 0.601 nan 8.270 nan 0.000 0.435 211 K N 0.324 120.726 120.400 0.003 0.000 2.103 211 K HA -0.204 3.909 4.320 -0.345 0.000 0.207 211 K C 1.992 178.603 176.600 0.019 0.000 1.048 211 K CA 1.936 58.231 56.287 0.013 0.000 0.930 211 K CB 0.008 32.514 32.500 0.011 0.000 0.716 211 K HN 0.421 nan 8.250 nan 0.000 0.444 212 Q N -0.311 119.494 119.800 0.008 0.000 2.369 212 Q HA -0.096 4.037 4.340 -0.345 0.000 0.206 212 Q C 1.732 177.771 176.000 0.066 0.000 0.963 212 Q CA 0.547 56.375 55.803 0.042 0.000 0.894 212 Q CB 0.235 28.967 28.738 -0.010 0.000 0.965 212 Q HN 0.313 nan 8.270 nan 0.000 0.475 213 Q N 0.065 119.879 119.800 0.024 0.000 2.364 213 Q HA -0.042 4.091 4.340 -0.345 0.000 0.207 213 Q C 1.014 177.012 176.000 -0.004 0.000 0.970 213 Q CA 1.151 56.952 55.803 -0.004 0.000 0.888 213 Q CB 0.151 28.867 28.738 -0.035 0.000 0.951 213 Q HN 0.450 nan 8.270 nan 0.000 0.469 214 T N -3.169 111.404 114.554 0.033 0.000 2.762 214 T HA 0.628 4.771 4.350 -0.345 0.000 0.301 214 T C -1.108 173.643 174.700 0.085 0.000 1.299 214 T CA -1.130 61.012 62.100 0.069 0.000 1.005 214 T CB 2.351 71.274 68.868 0.092 0.000 1.377 214 T HN 0.042 nan 8.240 nan 0.000 0.504 215 R N 1.176 121.754 120.500 0.131 0.000 2.468 215 R HA 0.633 4.766 4.340 -0.345 0.000 0.302 215 R C -1.563 174.817 176.300 0.132 0.000 1.041 215 R CA -0.609 55.567 56.100 0.127 0.000 0.899 215 R CB 1.302 31.677 30.300 0.125 0.000 1.167 215 R HN 0.612 nan 8.270 nan 0.000 0.483 216 V N 5.289 125.246 119.914 0.071 0.000 2.461 216 V HA 0.212 4.125 4.120 -0.345 0.000 0.275 216 V C -0.031 176.083 176.094 0.032 0.000 1.047 216 V CA -0.537 61.776 62.300 0.021 0.000 0.955 216 V CB 1.534 33.369 31.823 0.020 0.000 0.988 216 V HN 0.481 nan 8.190 nan 0.000 0.471 217 V N 5.395 125.303 119.914 -0.010 0.000 2.304 217 V HA 0.357 4.270 4.120 -0.345 0.000 0.269 217 V C 0.063 176.152 176.094 -0.009 0.000 1.036 217 V CA -0.328 62.010 62.300 0.063 0.000 0.840 217 V CB 1.059 33.004 31.823 0.204 0.000 1.036 217 V HN 1.132 nan 8.190 nan 0.000 0.466 218 D N 1.774 122.154 120.400 -0.034 0.000 2.692 218 D HA 0.109 4.542 4.640 -0.345 0.000 0.290 218 D C 0.300 176.568 176.300 -0.054 0.000 1.455 218 D CA -0.199 53.707 54.000 -0.156 0.000 0.796 218 D CB 0.372 41.037 40.800 -0.224 0.000 1.131 218 D HN 0.574 nan 8.370 nan 0.000 0.467 219 D N -1.085 119.322 120.400 0.012 0.000 2.651 219 D HA -0.004 4.429 4.640 -0.345 0.000 0.280 219 D C -0.583 175.745 176.300 0.047 0.000 1.496 219 D CA -0.309 53.708 54.000 0.029 0.000 0.792 219 D CB -0.048 40.773 40.800 0.036 0.000 1.144 219 D HN 0.100 nan 8.370 nan 0.000 0.470 220 D N 1.427 121.867 120.400 0.066 0.000 2.417 220 D HA -0.013 4.420 4.640 -0.345 0.000 0.250 220 D C 1.718 178.039 176.300 0.035 0.000 1.166 220 D CA -0.225 53.820 54.000 0.075 0.000 0.881 220 D CB 2.187 43.057 40.800 0.118 0.000 1.164 220 D HN -0.202 nan 8.370 nan 0.000 0.467 221 V N 4.188 124.116 119.914 0.023 0.000 2.453 221 V HA -0.247 3.666 4.120 -0.345 0.000 0.252 221 V C 2.279 178.370 176.094 -0.005 0.000 1.068 221 V CA 1.172 63.476 62.300 0.007 0.000 1.070 221 V CB -0.303 31.521 31.823 0.002 0.000 0.664 221 V HN 0.561 nan 8.190 nan 0.000 0.461 222 V N 0.151 120.056 119.914 -0.016 0.000 3.380 222 V HA 0.243 4.156 4.120 -0.345 0.000 0.268 222 V C 1.942 178.026 176.094 -0.017 0.000 1.168 222 V CA 1.332 63.611 62.300 -0.034 0.000 1.156 222 V CB -0.495 31.286 31.823 -0.070 0.000 0.785 222 V HN 0.762 nan 8.190 nan 0.000 0.487 223 G N 0.400 109.203 108.800 0.005 0.000 2.195 223 G HA2 -0.280 3.473 3.960 -0.345 0.000 0.246 223 G HA3 -0.280 3.473 3.960 -0.345 0.000 0.246 223 G C 0.409 175.335 174.900 0.043 0.000 0.984 223 G CA -0.030 45.083 45.100 0.021 0.000 0.633 223 G HN 0.470 nan 8.290 nan 0.000 0.525 224 R N 0.490 121.015 120.500 0.041 0.000 2.619 224 R HA 0.285 4.418 4.340 -0.345 0.000 0.268 224 R C -0.142 176.292 176.300 0.223 0.000 0.990 224 R CA 0.572 56.734 56.100 0.104 0.000 1.092 224 R CB 0.255 30.534 30.300 -0.036 0.000 0.935 224 R HN 0.049 nan 8.270 nan 0.000 0.415 225 K N 1.547 122.124 120.400 0.295 0.000 2.463 225 K HA 0.523 4.637 4.320 -0.345 0.000 0.255 225 K C -0.189 176.532 176.600 0.202 0.000 0.942 225 K CA -0.502 55.875 56.287 0.149 0.000 0.814 225 K CB 2.345 34.845 32.500 0.000 0.000 1.122 225 K HN 0.891 nan 8.250 nan 0.000 0.425 226 G N 0.111 108.823 108.800 -0.147 0.000 2.548 226 G HA2 0.564 4.317 3.960 -0.345 0.000 0.301 226 G HA3 0.564 4.317 3.960 -0.345 0.000 0.301 226 G C -1.699 172.736 174.900 -0.774 0.000 1.349 226 G CA -0.484 44.163 45.100 -0.754 0.000 0.792 226 G HN 0.197 nan 8.290 nan 0.000 0.481 227 V N -0.158 119.179 119.914 -0.962 0.000 2.841 227 V HA 0.542 4.456 4.120 -0.345 0.000 0.310 227 V C -1.503 174.267 176.094 -0.541 0.000 1.090 227 V CA -0.802 61.180 62.300 -0.530 0.000 0.930 227 V CB 1.801 33.471 31.823 -0.255 0.000 1.014 227 V HN 0.665 nan 8.190 nan 0.000 0.425 228 Y N 1.459 121.700 120.300 -0.097 0.000 2.342 228 Y HA 0.476 4.823 4.550 -0.339 0.000 0.334 228 Y C 0.229 176.215 175.900 0.143 0.000 1.067 228 Y CA -0.554 57.571 58.100 0.042 0.000 1.128 228 Y CB 1.434 39.905 38.460 0.019 0.000 1.200 228 Y HN 0.720 nan 8.280 nan 0.000 0.464 229 D N 3.886 124.451 120.400 0.275 0.000 2.380 229 D HA 0.201 4.634 4.640 -0.345 0.000 0.230 229 D C -0.395 175.875 176.300 -0.051 0.000 1.154 229 D CA 0.058 54.034 54.000 -0.039 0.000 0.859 229 D CB 0.463 41.044 40.800 -0.366 0.000 1.045 229 D HN 0.574 nan 8.370 nan 0.000 0.495 230 L N 4.855 126.042 121.223 -0.059 0.000 2.928 230 L HA 0.287 4.420 4.340 -0.345 0.000 0.246 230 L C 1.962 178.748 176.870 -0.140 0.000 1.239 230 L CA -0.334 54.459 54.840 -0.077 0.000 1.035 230 L CB 0.003 42.052 42.059 -0.016 0.000 1.360 230 L HN 0.506 nan 8.230 nan 0.000 0.529 231 I N 0.772 121.194 120.570 -0.247 0.000 2.335 231 I HA -0.197 3.766 4.170 -0.345 0.000 0.251 231 I C 2.032 177.967 176.117 -0.303 0.000 1.129 231 I CA 1.513 62.637 61.300 -0.294 0.000 1.402 231 I CB 0.232 37.958 38.000 -0.457 0.000 1.069 231 I HN 0.395 nan 8.210 nan 0.000 0.424 232 G N -0.340 108.231 108.800 -0.382 0.000 3.026 232 G HA2 -0.055 3.698 3.960 -0.345 0.000 0.208 232 G HA3 -0.055 3.698 3.960 -0.345 0.000 0.208 232 G C 1.238 176.063 174.900 -0.125 0.000 1.169 232 G CA -0.065 44.894 45.100 -0.235 0.000 0.788 232 G HN 0.458 nan 8.290 nan 0.000 0.533 233 E N -0.296 119.800 120.200 -0.173 0.000 2.170 233 E HA 0.009 4.152 4.350 -0.345 0.000 0.191 233 E C 1.245 177.580 176.600 -0.442 0.000 0.981 233 E CA 0.531 56.751 56.400 -0.299 0.000 0.830 233 E CB 0.112 29.584 29.700 -0.380 0.000 0.775 233 E HN 0.475 nan 8.360 nan 0.000 0.470 234 H N -1.210 117.850 119.070 -0.017 0.000 3.241 234 H HA 0.217 4.565 4.556 -0.346 0.000 0.260 234 H C 1.040 176.378 175.328 0.015 0.000 1.084 234 H CA 0.375 56.423 56.048 0.000 0.000 1.203 234 H CB 0.771 30.528 29.762 -0.008 0.000 1.524 234 H HN 0.031 nan 8.280 nan 0.000 0.521 235 G N 0.951 109.813 108.800 0.104 0.000 2.485 235 G HA2 0.369 4.122 3.960 -0.345 0.000 0.260 235 G HA3 0.369 4.122 3.960 -0.345 0.000 0.260 235 G C -0.522 174.454 174.900 0.127 0.000 1.459 235 G CA -0.140 45.026 45.100 0.110 0.000 1.060 235 G HN 0.043 nan 8.290 nan 0.000 0.546 236 V N 1.952 121.958 119.914 0.153 0.000 2.532 236 V HA 0.324 4.237 4.120 -0.345 0.000 0.294 236 V C -2.203 173.987 176.094 0.161 0.000 1.036 236 V CA -1.115 61.275 62.300 0.149 0.000 0.876 236 V CB 2.096 33.985 31.823 0.110 0.000 1.012 236 V HN 0.669 nan 8.190 nan 0.000 0.432 237 P HA 0.134 nan 4.420 nan 0.000 0.268 237 P C -0.425 176.810 177.300 -0.107 0.000 1.204 237 P CA 0.144 63.234 63.100 -0.016 0.000 0.768 237 P CB 1.339 33.090 31.700 0.085 0.000 0.842 238 V N 4.890 124.592 119.914 -0.354 0.000 2.432 238 V HA 0.107 4.020 4.120 -0.345 0.000 0.271 238 V C 0.799 176.648 176.094 -0.408 0.000 1.046 238 V CA 0.426 62.583 62.300 -0.239 0.000 0.945 238 V CB -0.193 31.502 31.823 -0.214 0.000 0.992 238 V HN 0.493 nan 8.190 nan 0.000 0.471 239 F N 1.786 121.707 119.950 -0.049 0.000 2.728 239 F HA 0.342 4.666 4.527 -0.339 0.000 0.314 239 F C 1.032 176.837 175.800 0.009 0.000 1.094 239 F CA -0.176 57.781 58.000 -0.073 0.000 1.217 239 F CB 0.850 39.844 39.000 -0.010 0.000 1.056 239 F HN 0.428 nan 8.300 nan 0.000 0.577 240 E N 0.363 120.668 120.200 0.176 0.000 2.402 240 E HA 0.350 4.493 4.350 -0.345 0.000 0.244 240 E C -0.013 176.635 176.600 0.080 0.000 0.945 240 E CA -0.490 55.998 56.400 0.146 0.000 0.774 240 E CB 1.188 30.986 29.700 0.163 0.000 1.296 240 E HN 0.151 nan 8.360 nan 0.000 0.414 241 G N 2.100 110.939 108.800 0.065 0.000 2.361 241 G HA2 0.308 4.061 3.960 -0.345 0.000 0.260 241 G HA3 0.308 4.061 3.960 -0.345 0.000 0.260 241 G C 0.168 175.095 174.900 0.046 0.000 1.261 241 G CA -0.011 45.117 45.100 0.046 0.000 0.897 241 G HN 0.330 nan 8.290 nan 0.000 0.499 242 T N -0.493 114.078 114.554 0.029 0.000 2.908 242 T HA 0.728 4.871 4.350 -0.345 0.000 0.290 242 T C -0.383 174.324 174.700 0.012 0.000 1.034 242 T CA -0.844 61.272 62.100 0.026 0.000 1.010 242 T CB 1.901 70.786 68.868 0.028 0.000 1.068 242 T HN 0.342 nan 8.240 nan 0.000 0.481 243 I N 1.398 121.976 120.570 0.013 0.000 2.478 243 I HA 0.533 4.496 4.170 -0.345 0.000 0.287 243 I C 1.095 177.216 176.117 0.007 0.000 1.042 243 I CA -0.738 60.565 61.300 0.004 0.000 1.067 243 I CB 1.756 39.758 38.000 0.003 0.000 1.233 243 I HN 1.129 nan 8.210 nan 0.000 0.431 244 G N 4.057 112.860 108.800 0.004 0.000 2.203 244 G HA2 -0.186 3.567 3.960 -0.345 0.000 0.263 244 G HA3 -0.186 3.567 3.960 -0.345 0.000 0.263 244 G C 1.020 175.925 174.900 0.010 0.000 1.012 244 G CA 0.681 45.784 45.100 0.005 0.000 0.749 244 G HN 1.562 nan 8.290 nan 0.000 0.512 245 G N -1.522 107.286 108.800 0.013 0.000 2.268 245 G HA2 -0.202 3.551 3.960 -0.345 0.000 0.240 245 G HA3 -0.202 3.551 3.960 -0.345 0.000 0.240 245 G C 0.177 175.089 174.900 0.021 0.000 1.010 245 G CA 0.957 46.068 45.100 0.017 0.000 0.618 245 G HN 1.088 nan 8.290 nan 0.000 0.516 246 E N 0.661 120.873 120.200 0.020 0.000 2.289 246 E HA 0.535 4.678 4.350 -0.345 0.000 0.278 246 E C 0.570 177.188 176.600 0.030 0.000 1.032 246 E CA -0.352 56.062 56.400 0.023 0.000 0.854 246 E CB 1.438 31.149 29.700 0.019 0.000 1.046 246 E HN 0.276 nan 8.360 nan 0.000 0.409 247 V N 5.297 125.234 119.914 0.038 0.000 2.479 247 V HA 0.001 3.914 4.120 -0.345 0.000 0.281 247 V C 1.167 177.290 176.094 0.048 0.000 1.031 247 V CA 0.344 62.674 62.300 0.049 0.000 1.038 247 V CB 0.643 32.502 31.823 0.061 0.000 0.981 247 V HN 0.679 nan 8.190 nan 0.000 0.478 248 V N 2.342 122.287 119.914 0.051 0.000 3.645 248 V HA 0.532 4.445 4.120 -0.345 0.000 0.275 248 V C 0.422 176.553 176.094 0.062 0.000 1.356 248 V CA 0.099 62.429 62.300 0.050 0.000 1.051 248 V CB 0.186 32.036 31.823 0.045 0.000 0.828 248 V HN 0.755 nan 8.190 nan 0.000 0.441 249 R N 0.326 120.870 120.500 0.074 0.000 2.629 249 R HA 0.583 4.716 4.340 -0.345 0.000 0.266 249 R C -1.580 174.771 176.300 0.085 0.000 1.051 249 R CA -0.195 55.951 56.100 0.077 0.000 0.895 249 R CB 1.759 32.117 30.300 0.096 0.000 1.246 249 R HN 0.464 nan 8.270 nan 0.000 0.459 250 E N 1.029 121.277 120.200 0.080 0.000 2.312 250 E HA 0.495 4.638 4.350 -0.345 0.000 0.267 250 E C -0.366 176.232 176.600 -0.003 0.000 0.894 250 E CA -1.123 55.334 56.400 0.095 0.000 0.773 250 E CB 2.095 31.921 29.700 0.210 0.000 1.241 250 E HN 0.732 nan 8.360 nan 0.000 0.432 251 G N 0.467 109.221 108.800 -0.077 0.000 2.553 251 G HA2 0.444 4.197 3.960 -0.345 0.000 0.278 251 G HA3 0.444 4.197 3.960 -0.345 0.000 0.278 251 G C -0.612 174.171 174.900 -0.194 0.000 1.349 251 G CA -0.336 44.671 45.100 -0.154 0.000 1.037 251 G HN 0.486 nan 8.290 nan 0.000 0.508 252 A N -1.134 121.638 122.820 -0.082 0.000 2.289 252 A HA 0.556 4.669 4.320 -0.345 0.000 0.298 252 A C -0.793 176.752 177.584 -0.065 0.000 1.208 252 A CA -0.513 51.501 52.037 -0.037 0.000 0.845 252 A CB 0.252 19.285 19.000 0.055 0.000 1.125 252 A HN 0.594 nan 8.150 nan 0.000 0.517 253 Y N 2.443 122.808 120.300 0.109 0.000 2.801 253 Y HA 0.306 4.652 4.550 -0.340 0.000 0.340 253 Y C 1.574 177.475 175.900 0.002 0.000 1.088 253 Y CA -0.016 58.077 58.100 -0.011 0.000 1.444 253 Y CB -0.068 38.351 38.460 -0.068 0.000 1.251 253 Y HN 0.766 nan 8.280 nan 0.000 0.522 254 G N 0.011 108.891 108.800 0.134 0.000 2.653 254 G HA2 0.052 3.805 3.960 -0.345 0.000 0.265 254 G HA3 0.052 3.805 3.960 -0.345 0.000 0.265 254 G C 0.723 175.671 174.900 0.079 0.000 1.237 254 G CA -0.294 44.864 45.100 0.098 0.000 0.946 254 G HN 0.420 nan 8.290 nan 0.000 0.522 255 E N -0.526 119.709 120.200 0.059 0.000 2.166 255 E HA -0.001 4.142 4.350 -0.345 0.000 0.192 255 E C 0.440 177.067 176.600 0.045 0.000 0.967 255 E CA 0.233 56.661 56.400 0.046 0.000 0.840 255 E CB 0.195 29.915 29.700 0.034 0.000 0.795 255 E HN 0.323 nan 8.360 nan 0.000 0.470 256 K N 1.986 122.412 120.400 0.043 0.000 2.402 256 K HA 0.085 4.198 4.320 -0.345 0.000 0.285 256 K C -0.261 176.365 176.600 0.044 0.000 1.054 256 K CA 0.088 56.395 56.287 0.033 0.000 1.001 256 K CB 0.708 33.219 32.500 0.018 0.000 0.946 256 K HN -0.020 nan 8.250 nan 0.000 0.473 257 I N 4.853 125.451 120.570 0.046 0.000 2.371 257 I HA 0.142 4.105 4.170 -0.345 0.000 0.290 257 I C 0.488 176.639 176.117 0.057 0.000 1.028 257 I CA -0.286 61.054 61.300 0.068 0.000 1.345 257 I CB 0.660 38.700 38.000 0.067 0.000 1.407 257 I HN 0.346 nan 8.210 nan 0.000 0.501 258 V N 2.519 122.487 119.914 0.089 0.000 3.182 258 V HA 0.872 4.785 4.120 -0.345 0.000 0.308 258 V C 0.414 176.606 176.094 0.163 0.000 1.240 258 V CA -1.100 61.268 62.300 0.114 0.000 1.063 258 V CB 1.283 33.170 31.823 0.107 0.000 1.076 258 V HN 1.013 nan 8.190 nan 0.000 0.446 259 A N 1.703 124.637 122.820 0.189 0.000 2.415 259 A HA -0.221 3.892 4.320 -0.345 0.000 0.292 259 A C 0.768 178.398 177.584 0.078 0.000 1.452 259 A CA 1.558 53.653 52.037 0.096 0.000 0.750 259 A CB -2.334 16.679 19.000 0.022 0.000 1.099 259 A HN 1.679 nan 8.150 nan 0.000 0.391 260 N N -0.825 117.917 118.700 0.070 0.000 2.205 260 N HA 0.225 4.758 4.740 -0.345 0.000 0.201 260 N C 0.053 175.585 175.510 0.036 0.000 1.128 260 N CA 0.260 53.340 53.050 0.050 0.000 0.867 260 N CB 0.477 38.998 38.487 0.055 0.000 0.996 260 N HN 0.500 nan 8.380 nan 0.000 0.503 261 D N 1.199 121.637 120.400 0.062 0.000 2.358 261 D HA 0.367 4.800 4.640 -0.345 0.000 0.253 261 D C -1.299 175.089 176.300 0.146 0.000 1.288 261 D CA -0.360 53.709 54.000 0.115 0.000 0.950 261 D CB 0.810 41.685 40.800 0.125 0.000 1.197 261 D HN 0.134 nan 8.370 nan 0.000 0.550 262 I N 2.293 122.956 120.570 0.154 0.000 2.474 262 I HA 0.532 4.495 4.170 -0.345 0.000 0.294 262 I C -0.256 175.998 176.117 0.229 0.000 1.005 262 I CA -0.751 60.641 61.300 0.153 0.000 1.113 262 I CB 1.974 40.022 38.000 0.079 0.000 1.289 262 I HN 0.384 nan 8.210 nan 0.000 0.436 263 S N 5.764 121.534 115.700 0.117 0.000 2.541 263 S HA 0.721 4.984 4.470 -0.345 0.000 0.271 263 S C -1.108 173.207 174.600 -0.476 0.000 1.133 263 S CA -0.739 57.303 58.200 -0.262 0.000 0.876 263 S CB 2.369 65.171 63.200 -0.663 0.000 1.105 263 S HN 0.464 nan 8.310 nan 0.000 0.470 264 I N 1.745 121.649 120.570 -1.111 0.000 2.474 264 I HA 0.839 4.802 4.170 -0.345 0.000 0.294 264 I C -1.912 173.562 176.117 -1.072 0.000 1.005 264 I CA -0.732 59.952 61.300 -1.026 0.000 1.113 264 I CB 1.081 38.178 38.000 -1.505 0.000 1.289 264 I HN 0.855 nan 8.210 nan 0.000 0.436 265 W N 6.515 127.620 121.300 -0.325 0.000 2.936 265 W HA 0.606 5.056 4.660 -0.351 0.000 0.338 265 W C -0.958 175.585 176.519 0.040 0.000 1.121 265 W CA -0.682 56.586 57.345 -0.127 0.000 1.209 265 W CB 0.999 30.358 29.460 -0.168 0.000 1.420 265 W HN 0.244 nan 8.180 nan 0.000 0.516 266 L N 4.567 126.022 121.223 0.386 0.000 2.461 266 L HA 0.104 4.237 4.340 -0.345 0.000 0.272 266 L C -0.836 176.141 176.870 0.180 0.000 1.197 266 L CA -1.171 53.861 54.840 0.322 0.000 0.836 266 L CB 0.843 43.008 42.059 0.177 0.000 1.105 266 L HN 0.248 nan 8.230 nan 0.000 0.477 267 P HA 0.063 nan 4.420 nan 0.000 0.249 267 P C 0.341 177.894 177.300 0.422 0.000 1.229 267 P CA 0.550 63.656 63.100 0.010 0.000 0.788 267 P CB 0.585 32.059 31.700 -0.375 0.000 1.072 268 G N -0.869 108.148 108.800 0.361 0.000 2.599 268 G HA2 0.141 3.894 3.960 -0.345 0.000 0.235 268 G HA3 0.141 3.894 3.960 -0.345 0.000 0.235 268 G C -1.547 173.434 174.900 0.134 0.000 3.235 268 G CA -0.303 45.027 45.100 0.383 0.000 0.824 268 G HN 0.255 nan 8.290 nan 0.000 0.510 269 V N 1.628 121.446 119.914 -0.161 0.000 2.638 269 V HA 0.878 4.791 4.120 -0.345 0.000 0.306 269 V C -0.751 175.174 176.094 -0.282 0.000 1.052 269 V CA -1.055 60.891 62.300 -0.590 0.000 0.885 269 V CB 1.827 32.758 31.823 -1.485 0.000 0.999 269 V HN 0.781 nan 8.190 nan 0.000 0.424 270 L N 6.015 127.108 121.223 -0.216 0.000 2.322 270 L HA 0.654 4.787 4.340 -0.345 0.000 0.279 270 L C -0.342 176.539 176.870 0.018 0.000 1.036 270 L CA 0.044 54.865 54.840 -0.031 0.000 0.807 270 L CB 1.449 43.575 42.059 0.111 0.000 1.226 270 L HN 0.785 nan 8.230 nan 0.000 0.433 271 K N 4.032 124.495 120.400 0.104 0.000 2.413 271 K HA 0.644 4.757 4.320 -0.345 0.000 0.257 271 K C -1.977 174.640 176.600 0.027 0.000 0.946 271 K CA -0.651 55.694 56.287 0.096 0.000 0.823 271 K CB 1.592 34.261 32.500 0.282 0.000 1.109 271 K HN 0.490 nan 8.250 nan 0.000 0.427 272 V N 3.988 123.846 119.914 -0.093 0.000 2.407 272 V HA 0.332 4.245 4.120 -0.345 0.000 0.291 272 V C -0.910 175.142 176.094 -0.069 0.000 1.018 272 V CA -0.934 61.316 62.300 -0.082 0.000 0.842 272 V CB 1.225 32.922 31.823 -0.210 0.000 0.996 272 V HN 0.827 nan 8.190 nan 0.000 0.426 273 N N 6.271 124.973 118.700 0.003 0.000 2.310 273 N HA 0.627 5.160 4.740 -0.345 0.000 0.292 273 N C -3.096 172.443 175.510 0.048 0.000 1.049 273 N CA -1.468 51.590 53.050 0.014 0.000 0.849 273 N CB 3.731 42.233 38.487 0.024 0.000 1.532 273 N HN 0.334 nan 8.380 nan 0.000 0.479 274 P HA 0.446 nan 4.420 nan 0.000 0.284 274 P C -1.422 175.931 177.300 0.088 0.000 1.258 274 P CA -0.267 62.840 63.100 0.012 0.000 0.824 274 P CB 1.193 32.881 31.700 -0.021 0.000 1.038 275 F N 2.387 122.215 119.950 -0.204 0.000 2.714 275 F HA 0.229 4.568 4.527 -0.314 0.000 0.313 275 F C -2.242 173.369 175.800 -0.316 0.000 1.104 275 F CA -1.401 56.449 58.000 -0.251 0.000 1.005 275 F CB 1.916 40.781 39.000 -0.224 0.000 1.268 275 F HN 0.129 nan 8.300 nan 0.000 0.449 276 P HA 0.036 nan 4.420 nan 0.000 0.245 276 P C -0.557 176.199 177.300 -0.905 0.000 1.212 276 P CA 0.764 62.950 63.100 -1.523 0.000 0.774 276 P CB 0.225 31.275 31.700 -1.083 0.000 0.999 277 N N -0.181 118.117 118.700 -0.670 0.000 2.292 277 N HA 0.314 4.847 4.740 -0.345 0.000 0.303 277 N C -2.188 173.181 175.510 -0.233 0.000 1.140 277 N CA -2.525 50.293 53.050 -0.386 0.000 0.788 277 N CB 1.523 39.778 38.487 -0.387 0.000 1.361 277 N HN -0.362 nan 8.380 nan 0.000 0.489 278 P HA -0.104 nan 4.420 nan 0.000 0.224 278 P C -0.410 176.847 177.300 -0.072 0.000 1.142 278 P CA 1.201 64.260 63.100 -0.068 0.000 0.778 278 P CB 0.087 31.769 31.700 -0.029 0.000 0.764 279 D N -3.156 117.181 120.400 -0.105 0.000 2.501 279 D HA 0.118 4.551 4.640 -0.345 0.000 0.224 279 D C 0.347 176.551 176.300 -0.159 0.000 1.202 279 D CA 0.129 54.068 54.000 -0.102 0.000 0.829 279 D CB -0.022 40.734 40.800 -0.075 0.000 1.023 279 D HN 0.136 nan 8.370 nan 0.000 0.499 280 M N -0.123 119.355 119.600 -0.203 0.000 2.719 280 M HA 0.568 4.841 4.480 -0.345 0.000 0.291 280 M C -0.736 175.452 176.300 -0.186 0.000 1.264 280 M CA -0.748 54.405 55.300 -0.245 0.000 0.811 280 M CB 2.972 35.335 32.600 -0.394 0.000 1.756 280 M HN -0.241 nan 8.290 nan 0.000 0.464 281 M N 0.764 120.244 119.600 -0.200 0.000 2.531 281 M HA 0.415 4.688 4.480 -0.345 0.000 0.286 281 M C -1.375 174.701 176.300 -0.374 0.000 1.232 281 M CA -0.609 54.516 55.300 -0.293 0.000 0.877 281 M CB 2.895 35.253 32.600 -0.402 0.000 1.726 281 M HN 0.585 nan 8.290 nan 0.000 0.463 282 Q N 1.637 121.188 119.800 -0.415 0.000 2.333 282 Q HA 0.661 4.794 4.340 -0.345 0.000 0.267 282 Q C -2.092 173.641 176.000 -0.444 0.000 1.012 282 Q CA -0.426 55.225 55.803 -0.253 0.000 0.824 282 Q CB 1.666 30.419 28.738 0.027 0.000 1.290 282 Q HN 0.569 nan 8.270 nan 0.000 0.449 283 F N 2.617 122.670 119.950 0.172 0.000 2.507 283 F HA 0.345 4.664 4.527 -0.348 0.000 0.328 283 F C -0.477 175.384 175.800 0.101 0.000 1.136 283 F CA -0.677 57.368 58.000 0.075 0.000 0.930 283 F CB 1.713 40.837 39.000 0.207 0.000 1.166 283 F HN 0.458 nan 8.300 nan 0.000 0.436 284 E N 2.640 122.883 120.200 0.071 0.000 2.275 284 E HA 0.350 4.493 4.350 -0.345 0.000 0.270 284 E C -1.805 174.648 176.600 -0.245 0.000 0.882 284 E CA -0.886 55.562 56.400 0.080 0.000 0.758 284 E CB 2.053 31.811 29.700 0.098 0.000 1.195 284 E HN 0.504 nan 8.360 nan 0.000 0.419 285 W N 2.480 123.698 121.300 -0.137 0.000 2.512 285 W HA 0.326 4.781 4.660 -0.341 0.000 0.335 285 W C -0.959 175.465 176.519 -0.157 0.000 1.088 285 W CA -0.856 56.393 57.345 -0.160 0.000 1.236 285 W CB 1.677 31.150 29.460 0.022 0.000 1.307 285 W HN 0.611 nan 8.180 nan 0.000 0.567 286 Y N 1.319 121.961 120.300 0.571 0.000 2.805 286 Y HA 0.286 4.684 4.550 -0.254 0.000 0.339 286 Y C 0.199 176.392 175.900 0.487 0.000 1.012 286 Y CA -0.838 57.562 58.100 0.500 0.000 1.262 286 Y CB 0.190 38.798 38.460 0.247 0.000 1.100 286 Y HN -0.131 nan 8.280 nan 0.000 0.559 287 V N 4.711 124.970 119.914 0.575 0.000 2.461 287 V HA 0.286 4.199 4.120 -0.345 0.000 0.275 287 V C -2.247 173.951 176.094 0.174 0.000 1.047 287 V CA -2.330 60.164 62.300 0.323 0.000 0.955 287 V CB 1.103 33.111 31.823 0.309 0.000 0.988 287 V HN 0.421 nan 8.190 nan 0.000 0.471 288 P HA 0.283 nan 4.420 nan 0.000 0.271 288 P C 0.435 177.640 177.300 -0.159 0.000 1.226 288 P CA 0.237 63.229 63.100 -0.181 0.000 0.765 288 P CB 0.804 32.162 31.700 -0.569 0.000 0.835 289 I N 1.696 122.219 120.570 -0.079 0.000 2.899 289 I HA 0.090 4.053 4.170 -0.345 0.000 0.257 289 I C 0.548 176.614 176.117 -0.085 0.000 1.115 289 I CA 0.858 62.078 61.300 -0.134 0.000 1.451 289 I CB 0.163 38.017 38.000 -0.243 0.000 1.251 289 I HN 0.405 nan 8.210 nan 0.000 0.456 290 D N -1.184 119.196 120.400 -0.034 0.000 2.768 290 D HA 0.005 4.438 4.640 -0.345 0.000 0.327 290 D C 0.282 176.610 176.300 0.047 0.000 1.302 290 D CA -0.518 53.479 54.000 -0.006 0.000 0.897 290 D CB 0.226 41.022 40.800 -0.007 0.000 1.420 290 D HN 0.152 nan 8.370 nan 0.000 0.494 291 E N -0.523 119.709 120.200 0.053 0.000 2.267 291 E HA -0.194 3.949 4.350 -0.345 0.000 0.197 291 E C 0.362 177.020 176.600 0.098 0.000 0.998 291 E CA 1.144 57.595 56.400 0.085 0.000 0.830 291 E CB -0.392 29.348 29.700 0.065 0.000 0.751 291 E HN 0.335 nan 8.360 nan 0.000 0.491 292 N N 0.446 119.192 118.700 0.078 0.000 2.205 292 N HA 0.036 4.569 4.740 -0.345 0.000 0.201 292 N C -0.122 175.443 175.510 0.093 0.000 1.128 292 N CA 0.965 54.062 53.050 0.079 0.000 0.867 292 N CB 1.356 39.874 38.487 0.052 0.000 0.996 292 N HN 0.333 nan 8.380 nan 0.000 0.503 293 T N -1.231 113.379 114.554 0.094 0.000 2.883 293 T HA 0.478 4.621 4.350 -0.345 0.000 0.301 293 T C -0.893 173.888 174.700 0.135 0.000 1.158 293 T CA -0.761 61.378 62.100 0.065 0.000 1.007 293 T CB 2.788 71.628 68.868 -0.048 0.000 1.186 293 T HN 0.223 nan 8.240 nan 0.000 0.499 294 H N -0.282 118.811 119.070 0.038 0.000 3.037 294 H HA 0.441 4.790 4.556 -0.344 0.000 0.355 294 H C -2.081 173.313 175.328 0.110 0.000 1.263 294 H CA -0.909 55.195 56.048 0.094 0.000 1.129 294 H CB 0.666 30.593 29.762 0.275 0.000 1.861 294 H HN 0.605 nan 8.280 nan 0.000 0.546 295 Y N 1.137 121.611 120.300 0.289 0.000 2.304 295 Y HA 0.149 4.488 4.550 -0.352 0.000 0.328 295 Y C -0.232 175.976 175.900 0.514 0.000 1.123 295 Y CA -0.318 57.945 58.100 0.272 0.000 1.218 295 Y CB 0.613 39.209 38.460 0.227 0.000 1.207 295 Y HN 0.518 nan 8.280 nan 0.000 0.495 296 Y N 5.708 126.289 120.300 0.469 0.000 2.841 296 Y HA 0.281 4.677 4.550 -0.257 0.000 0.329 296 Y C -1.463 174.676 175.900 0.399 0.000 1.062 296 Y CA -2.326 56.056 58.100 0.471 0.000 1.281 296 Y CB -0.472 38.215 38.460 0.378 0.000 1.147 296 Y HN 0.517 nan 8.280 nan 0.000 0.521 297 F N 5.844 125.931 119.950 0.230 0.000 2.377 297 F HA 0.362 4.676 4.527 -0.355 0.000 0.360 297 F C -0.071 175.769 175.800 0.068 0.000 1.147 297 F CA -0.205 57.833 58.000 0.064 0.000 1.170 297 F CB 0.231 39.215 39.000 -0.027 0.000 1.339 297 F HN 0.434 nan 8.300 nan 0.000 0.552 298 Q N 3.381 123.065 119.800 -0.194 0.000 2.241 298 Q HA 0.501 4.634 4.340 -0.345 0.000 0.254 298 Q C -0.272 175.805 176.000 0.128 0.000 0.917 298 Q CA -0.678 55.085 55.803 -0.066 0.000 0.919 298 Q CB 1.816 30.428 28.738 -0.209 0.000 1.237 298 Q HN 0.647 nan 8.270 nan 0.000 0.434 299 T N -0.512 114.236 114.554 0.323 0.000 2.916 299 T HA 0.680 4.823 4.350 -0.345 0.000 0.305 299 T C -0.885 174.056 174.700 0.402 0.000 1.119 299 T CA -0.832 61.523 62.100 0.426 0.000 1.008 299 T CB 0.845 70.143 68.868 0.717 0.000 1.129 299 T HN 0.411 nan 8.240 nan 0.000 0.480 300 L N 1.845 123.261 121.223 0.323 0.000 2.362 300 L HA 0.780 4.913 4.340 -0.345 0.000 0.275 300 L C 0.504 177.545 176.870 0.285 0.000 0.998 300 L CA -1.013 53.982 54.840 0.258 0.000 0.820 300 L CB 2.163 44.386 42.059 0.274 0.000 1.270 300 L HN 1.050 nan 8.230 nan 0.000 0.415 301 G N 1.943 110.864 108.800 0.202 0.000 2.415 301 G HA2 0.609 4.362 3.960 -0.345 0.000 0.327 301 G HA3 0.609 4.362 3.960 -0.345 0.000 0.327 301 G C -1.373 173.461 174.900 -0.109 0.000 1.182 301 G CA -0.369 44.830 45.100 0.165 0.000 0.924 301 G HN 0.502 nan 8.290 nan 0.000 0.470 302 K N 2.845 123.054 120.400 -0.318 0.000 2.581 302 K HA 0.393 4.506 4.320 -0.345 0.000 0.249 302 K C -2.946 173.434 176.600 -0.366 0.000 0.966 302 K CA -1.563 54.408 56.287 -0.527 0.000 0.811 302 K CB 2.954 34.724 32.500 -1.217 0.000 1.223 302 K HN 0.196 nan 8.250 nan 0.000 0.438 303 P HA 0.020 nan 4.420 nan 0.000 0.265 303 P C -1.058 176.164 177.300 -0.131 0.000 1.193 303 P CA -0.236 62.784 63.100 -0.133 0.000 0.765 303 P CB 0.459 32.105 31.700 -0.091 0.000 0.823 304 C N 2.988 122.237 119.300 -0.085 0.000 2.551 304 C HA 0.540 4.793 4.460 -0.345 0.000 0.332 304 C C 1.321 176.293 174.990 -0.030 0.000 1.139 304 C CA -0.151 58.838 59.018 -0.049 0.000 1.328 304 C CB 1.214 28.941 27.740 -0.021 0.000 1.903 304 C HN 0.626 nan 8.230 nan 0.000 0.459 305 A N 2.822 125.630 122.820 -0.021 0.000 2.147 305 A HA 0.261 4.374 4.320 -0.345 0.000 0.211 305 A C 0.515 178.094 177.584 -0.009 0.000 1.160 305 A CA 0.733 52.760 52.037 -0.017 0.000 0.781 305 A CB -0.181 18.810 19.000 -0.015 0.000 0.842 305 A HN 1.020 nan 8.150 nan 0.000 0.475 306 N N -2.524 116.175 118.700 -0.002 0.000 2.708 306 N HA 0.341 4.874 4.740 -0.345 0.000 0.257 306 N C -0.843 174.674 175.510 0.011 0.000 1.373 306 N CA -0.341 52.711 53.050 0.002 0.000 0.843 306 N CB 0.285 38.774 38.487 0.003 0.000 1.503 306 N HN -0.177 nan 8.380 nan 0.000 0.504 307 D N -0.041 120.365 120.400 0.010 0.000 2.190 307 D HA -0.175 4.258 4.640 -0.345 0.000 0.200 307 D C 0.839 177.153 176.300 0.023 0.000 0.992 307 D CA 1.548 55.557 54.000 0.014 0.000 0.854 307 D CB 0.047 40.852 40.800 0.008 0.000 0.936 307 D HN 0.693 nan 8.370 nan 0.000 0.462 308 E N 0.566 120.778 120.200 0.020 0.000 2.077 308 E HA -0.171 3.972 4.350 -0.345 0.000 0.193 308 E C 1.911 178.534 176.600 0.039 0.000 0.989 308 E CA 0.889 57.304 56.400 0.025 0.000 0.800 308 E CB -0.135 29.576 29.700 0.018 0.000 0.746 308 E HN 0.449 nan 8.360 nan 0.000 0.452 309 E N 0.626 120.850 120.200 0.040 0.000 2.152 309 E HA -0.108 4.035 4.350 -0.345 0.000 0.192 309 E C 2.090 178.751 176.600 0.101 0.000 0.983 309 E CA 0.417 56.851 56.400 0.057 0.000 0.818 309 E CB -0.017 29.702 29.700 0.031 0.000 0.758 309 E HN 0.154 nan 8.360 nan 0.000 0.467 310 R N 0.989 121.542 120.500 0.088 0.000 2.148 310 R HA -0.072 4.061 4.340 -0.345 0.000 0.227 310 R C 2.140 178.512 176.300 0.120 0.000 1.103 310 R CA 1.000 57.177 56.100 0.128 0.000 0.983 310 R CB -0.011 30.333 30.300 0.072 0.000 0.874 310 R HN 0.046 nan 8.270 nan 0.000 0.451 311 K N 0.667 121.114 120.400 0.079 0.000 2.021 311 K HA -0.100 4.013 4.320 -0.345 0.000 0.205 311 K C 2.038 178.686 176.600 0.079 0.000 1.047 311 K CA 0.912 57.232 56.287 0.055 0.000 0.943 311 K CB -0.082 32.439 32.500 0.035 0.000 0.725 311 K HN 0.019 nan 8.250 nan 0.000 0.439 312 K N 0.667 121.126 120.400 0.098 0.000 2.059 312 K HA -0.269 3.844 4.320 -0.345 0.000 0.212 312 K C 2.276 178.992 176.600 0.194 0.000 1.050 312 K CA 1.776 58.132 56.287 0.114 0.000 0.927 312 K CB -0.321 32.245 32.500 0.109 0.000 0.714 312 K HN 0.106 nan 8.250 nan 0.000 0.447 313 Y N 2.148 122.503 120.300 0.092 0.000 2.145 313 Y HA -0.223 4.118 4.550 -0.348 0.000 0.286 313 Y C 2.323 178.335 175.900 0.188 0.000 1.145 313 Y CA 2.057 60.248 58.100 0.152 0.000 1.148 313 Y CB -0.558 37.956 38.460 0.090 0.000 0.981 313 Y HN 0.250 nan 8.280 nan 0.000 0.507 314 E N 0.611 120.780 120.200 -0.051 0.000 2.051 314 E HA -0.258 3.885 4.350 -0.345 0.000 0.192 314 E C 1.965 178.579 176.600 0.022 0.000 0.991 314 E CA 1.982 58.304 56.400 -0.129 0.000 0.799 314 E CB -0.293 29.362 29.700 -0.074 0.000 0.748 314 E HN 0.747 nan 8.360 nan 0.000 0.449 315 Q N 0.118 119.937 119.800 0.032 0.000 2.061 315 Q HA -0.159 3.974 4.340 -0.345 0.000 0.204 315 Q C 2.253 178.244 176.000 -0.014 0.000 0.984 315 Q CA 1.719 57.529 55.803 0.012 0.000 0.846 315 Q CB -0.155 28.587 28.738 0.007 0.000 0.902 315 Q HN 0.430 nan 8.270 nan 0.000 0.421 316 E N -0.030 120.176 120.200 0.009 0.000 2.204 316 E HA -0.166 3.977 4.350 -0.345 0.000 0.194 316 E C 1.647 178.141 176.600 -0.177 0.000 0.989 316 E CA 0.522 56.834 56.400 -0.147 0.000 0.824 316 E CB -0.107 29.551 29.700 -0.069 0.000 0.756 316 E HN 0.233 nan 8.360 nan 0.000 0.477 317 F N 2.563 122.483 119.950 -0.051 0.000 2.051 317 F HA -0.195 4.122 4.527 -0.350 0.000 0.296 317 F C 2.195 177.966 175.800 -0.048 0.000 1.122 317 F CA 1.495 59.513 58.000 0.030 0.000 1.201 317 F CB -0.047 38.834 39.000 -0.199 0.000 0.978 317 F HN -0.155 nan 8.300 nan 0.000 0.472 318 E N 0.285 120.432 120.200 -0.088 0.000 2.058 318 E HA -0.185 3.958 4.350 -0.345 0.000 0.194 318 E C 2.418 178.901 176.600 -0.195 0.000 0.997 318 E CA 1.766 58.057 56.400 -0.181 0.000 0.801 318 E CB -0.885 28.782 29.700 -0.056 0.000 0.746 318 E HN 0.548 nan 8.360 nan 0.000 0.450 319 S N -0.512 115.085 115.700 -0.172 0.000 2.446 319 S HA 0.059 4.322 4.470 -0.345 0.000 0.225 319 S C 1.824 176.281 174.600 -0.239 0.000 1.016 319 S CA 0.862 58.955 58.200 -0.178 0.000 0.943 319 S CB 0.515 63.625 63.200 -0.150 0.000 0.786 319 S HN 0.100 nan 8.310 nan 0.000 0.508 320 K N -0.184 120.004 120.400 -0.353 0.000 2.537 320 K HA 0.228 4.341 4.320 -0.345 0.000 0.216 320 K C 1.561 177.976 176.600 -0.308 0.000 1.349 320 K CA 0.026 56.040 56.287 -0.455 0.000 0.841 320 K CB -0.452 31.546 32.500 -0.836 0.000 1.659 320 K HN 0.350 nan 8.250 nan 0.000 0.435 321 W N 2.502 123.749 121.300 -0.090 0.000 2.315 321 W HA -0.207 4.246 4.660 -0.345 0.000 0.323 321 W C 2.348 178.743 176.519 -0.206 0.000 1.233 321 W CA 1.277 58.574 57.345 -0.081 0.000 1.267 321 W CB -0.202 29.314 29.460 0.093 0.000 1.160 321 W HN 0.220 nan 8.180 nan 0.000 0.474 322 K N 0.128 120.338 120.400 -0.316 0.000 2.009 322 K HA -0.199 3.914 4.320 -0.345 0.000 0.210 322 K C -0.708 175.793 176.600 -0.166 0.000 1.049 322 K CA 2.008 58.013 56.287 -0.469 0.000 0.929 322 K CB -1.337 30.591 32.500 -0.952 0.000 0.714 322 K HN -0.006 nan 8.250 nan 0.000 0.440 323 P HA -0.115 nan 4.420 nan 0.000 0.215 323 P C 1.453 178.763 177.300 0.016 0.000 1.157 323 P CA 1.313 64.376 63.100 -0.061 0.000 0.859 323 P CB -0.015 31.631 31.700 -0.089 0.000 0.786 324 M N -1.821 117.792 119.600 0.023 0.000 2.334 324 M HA 0.038 4.311 4.480 -0.345 0.000 0.266 324 M C 1.565 177.974 176.300 0.181 0.000 1.082 324 M CA 1.438 56.789 55.300 0.085 0.000 1.141 324 M CB -0.053 32.570 32.600 0.039 0.000 1.380 324 M HN -0.124 nan 8.290 nan 0.000 0.440 325 A N 0.139 123.083 122.820 0.206 0.000 2.051 325 A HA 0.148 4.261 4.320 -0.345 0.000 0.218 325 A C 1.712 179.484 177.584 0.314 0.000 1.575 325 A CA 0.003 52.196 52.037 0.260 0.000 0.700 325 A CB -0.794 18.330 19.000 0.206 0.000 1.245 325 A HN 0.400 nan 8.150 nan 0.000 0.536 326 L N -0.087 121.278 121.223 0.235 0.000 2.137 326 L HA -0.259 3.874 4.340 -0.345 0.000 0.213 326 L C 2.343 179.362 176.870 0.247 0.000 1.085 326 L CA 1.972 56.949 54.840 0.228 0.000 0.760 326 L CB -0.539 41.595 42.059 0.125 0.000 0.893 326 L HN 0.576 nan 8.230 nan 0.000 0.434 327 E N -1.037 119.283 120.200 0.201 0.000 2.192 327 E HA 0.038 4.181 4.350 -0.345 0.000 0.196 327 E C 2.219 178.953 176.600 0.223 0.000 0.922 327 E CA 0.589 57.107 56.400 0.197 0.000 0.924 327 E CB -0.387 29.385 29.700 0.121 0.000 0.911 327 E HN 0.342 nan 8.360 nan 0.000 0.478 328 G N 0.939 109.861 108.800 0.203 0.000 2.475 328 G HA2 -0.271 3.482 3.960 -0.345 0.000 0.220 328 G HA3 -0.271 3.482 3.960 -0.345 0.000 0.220 328 G C 1.244 176.323 174.900 0.298 0.000 1.125 328 G CA 0.814 46.042 45.100 0.213 0.000 0.755 328 G HN 0.149 nan 8.290 nan 0.000 0.565 329 F N 0.674 120.744 119.950 0.199 0.000 2.315 329 F HA 0.254 4.567 4.527 -0.358 0.000 0.284 329 F C 2.294 178.272 175.800 0.295 0.000 1.049 329 F CA 0.737 58.875 58.000 0.230 0.000 1.323 329 F CB -0.027 39.102 39.000 0.215 0.000 1.113 329 F HN 0.102 nan 8.300 nan 0.000 0.544 330 N N 0.222 119.206 118.700 0.473 0.000 2.512 330 N HA -0.132 4.401 4.740 -0.345 0.000 0.183 330 N C 1.086 176.777 175.510 0.303 0.000 1.073 330 N CA 0.437 53.743 53.050 0.428 0.000 0.911 330 N CB -0.111 38.720 38.487 0.574 0.000 0.964 330 N HN 0.187 nan 8.380 nan 0.000 0.447 331 N N 1.241 120.097 118.700 0.261 0.000 2.223 331 N HA -0.126 4.407 4.740 -0.345 0.000 0.185 331 N C 0.742 176.326 175.510 0.122 0.000 1.016 331 N CA 1.002 54.187 53.050 0.226 0.000 0.863 331 N CB -0.141 38.490 38.487 0.239 0.000 0.983 331 N HN 0.267 nan 8.380 nan 0.000 0.429 332 D N 0.606 121.005 120.400 -0.002 0.000 2.269 332 D HA -0.072 4.361 4.640 -0.345 0.000 0.208 332 D C 1.012 176.840 176.300 -0.786 0.000 0.963 332 D CA 0.599 54.329 54.000 -0.450 0.000 0.864 332 D CB -0.062 40.523 40.800 -0.359 0.000 0.936 332 D HN 0.272 nan 8.370 nan 0.000 0.505 333 D N 0.422 120.635 120.400 -0.310 0.000 2.149 333 D HA -0.043 4.390 4.640 -0.345 0.000 0.201 333 D C 2.335 178.458 176.300 -0.296 0.000 0.972 333 D CA 0.263 54.108 54.000 -0.260 0.000 0.835 333 D CB 0.173 40.962 40.800 -0.018 0.000 0.966 333 D HN 0.283 nan 8.370 nan 0.000 0.476 334 I N 1.506 121.967 120.570 -0.182 0.000 2.127 334 I HA -0.227 3.736 4.170 -0.345 0.000 0.241 334 I C 2.705 178.821 176.117 -0.002 0.000 1.075 334 I CA 1.061 62.323 61.300 -0.062 0.000 1.334 334 I CB -0.491 37.562 38.000 0.088 0.000 1.040 334 I HN 0.237 nan 8.210 nan 0.000 0.405 335 W N 1.489 122.791 121.300 0.002 0.000 2.595 335 W HA 0.167 4.664 4.660 -0.271 0.000 0.257 335 W C 2.147 178.654 176.519 -0.020 0.000 1.267 335 W CA 0.601 57.943 57.345 -0.005 0.000 1.300 335 W CB -0.886 28.572 29.460 -0.004 0.000 1.120 335 W HN 0.058 nan 8.180 nan 0.000 0.618 336 A N 2.197 124.761 122.820 -0.428 0.000 1.897 336 A HA -0.123 3.990 4.320 -0.345 0.000 0.215 336 A C 2.239 179.735 177.584 -0.147 0.000 1.181 336 A CA 1.485 53.291 52.037 -0.384 0.000 0.620 336 A CB -0.704 17.950 19.000 -0.576 0.000 0.821 336 A HN 0.276 nan 8.150 nan 0.000 0.443 337 R N -0.023 120.389 120.500 -0.146 0.000 2.073 337 R HA -0.133 4.000 4.340 -0.345 0.000 0.234 337 R C 2.073 178.372 176.300 -0.002 0.000 1.134 337 R CA 1.635 57.678 56.100 -0.096 0.000 0.952 337 R CB -0.428 29.828 30.300 -0.075 0.000 0.850 337 R HN 0.659 nan 8.270 nan 0.000 0.433 338 E N 0.690 120.923 120.200 0.056 0.000 2.160 338 E HA -0.187 3.956 4.350 -0.345 0.000 0.195 338 E C 1.966 178.624 176.600 0.097 0.000 0.991 338 E CA 1.130 57.586 56.400 0.094 0.000 0.810 338 E CB -0.135 29.645 29.700 0.132 0.000 0.742 338 E HN 0.392 nan 8.360 nan 0.000 0.466 339 A N 0.692 123.581 122.820 0.114 0.000 2.067 339 A HA -0.095 4.018 4.320 -0.345 0.000 0.219 339 A C 2.006 179.634 177.584 0.074 0.000 1.158 339 A CA 0.992 53.095 52.037 0.110 0.000 0.661 339 A CB -0.257 18.837 19.000 0.156 0.000 0.801 339 A HN 0.152 nan 8.150 nan 0.000 0.452 340 M N -1.012 118.630 119.600 0.070 0.000 2.509 340 M HA 0.001 4.274 4.480 -0.345 0.000 0.250 340 M C 1.718 178.128 176.300 0.184 0.000 1.132 340 M CA 0.193 55.572 55.300 0.132 0.000 1.080 340 M CB 0.071 32.737 32.600 0.110 0.000 1.408 340 M HN 0.226 nan 8.290 nan 0.000 0.484 341 V N 1.033 121.013 119.914 0.111 0.000 2.250 341 V HA -0.340 3.573 4.120 -0.345 0.000 0.250 341 V C 1.752 177.908 176.094 0.104 0.000 1.060 341 V CA 2.171 64.531 62.300 0.101 0.000 1.030 341 V CB -0.655 31.213 31.823 0.075 0.000 0.643 341 V HN 0.433 nan 8.190 nan 0.000 0.445 342 D N -0.814 119.640 120.400 0.091 0.000 2.123 342 D HA -0.184 4.249 4.640 -0.345 0.000 0.196 342 D C 1.867 178.211 176.300 0.073 0.000 0.992 342 D CA 1.298 55.340 54.000 0.071 0.000 0.833 342 D CB -0.359 40.478 40.800 0.061 0.000 0.954 342 D HN 0.460 nan 8.370 nan 0.000 0.455 343 F N -0.077 119.797 119.950 -0.126 0.000 2.234 343 F HA -0.157 4.159 4.527 -0.352 0.000 0.299 343 F C 1.555 177.066 175.800 -0.482 0.000 1.087 343 F CA 1.106 58.919 58.000 -0.312 0.000 1.340 343 F CB -0.209 38.541 39.000 -0.418 0.000 1.031 343 F HN -0.039 nan 8.300 nan 0.000 0.500 344 Y N -1.059 119.117 120.300 -0.207 0.000 2.449 344 Y HA 0.364 4.715 4.550 -0.332 0.000 0.254 344 Y C 2.185 177.981 175.900 -0.173 0.000 1.140 344 Y CA 0.322 58.184 58.100 -0.396 0.000 1.272 344 Y CB -0.781 37.348 38.460 -0.551 0.000 1.114 344 Y HN 0.056 nan 8.280 nan 0.000 0.525 345 A N 0.765 123.599 122.820 0.024 0.000 1.948 345 A HA -0.243 3.870 4.320 -0.345 0.000 0.220 345 A C 1.529 179.133 177.584 0.034 0.000 1.177 345 A CA 2.257 54.321 52.037 0.044 0.000 0.636 345 A CB -0.644 18.377 19.000 0.035 0.000 0.815 345 A HN 0.499 nan 8.150 nan 0.000 0.449 346 D N -2.137 118.253 120.400 -0.016 0.000 2.342 346 D HA 0.112 4.545 4.640 -0.345 0.000 0.221 346 D C -0.122 176.185 176.300 0.012 0.000 1.101 346 D CA 0.468 54.462 54.000 -0.009 0.000 0.837 346 D CB -0.260 40.516 40.800 -0.041 0.000 0.938 346 D HN 0.367 nan 8.370 nan 0.000 0.508 347 D N 0.040 120.478 120.400 0.063 0.000 3.006 347 D HA -0.183 4.250 4.640 -0.345 0.000 0.208 347 D C 1.146 177.510 176.300 0.107 0.000 1.116 347 D CA 0.824 54.965 54.000 0.234 0.000 0.998 347 D CB -0.569 40.372 40.800 0.234 0.000 1.124 347 D HN 0.352 nan 8.370 nan 0.000 0.413 348 K N 0.076 120.396 120.400 -0.133 0.000 2.217 348 K HA 0.031 4.144 4.320 -0.345 0.000 0.202 348 K C 2.237 178.523 176.600 -0.523 0.000 1.051 348 K CA 1.109 57.254 56.287 -0.236 0.000 0.952 348 K CB -0.379 31.969 32.500 -0.253 0.000 0.736 348 K HN 0.365 nan 8.250 nan 0.000 0.453 349 G N 0.323 108.516 108.800 -1.011 0.000 2.450 349 G HA2 -0.226 3.527 3.960 -0.345 0.000 0.220 349 G HA3 -0.226 3.527 3.960 -0.345 0.000 0.220 349 G C 1.126 175.565 174.900 -0.768 0.000 1.130 349 G CA 0.276 44.251 45.100 -1.874 0.000 0.760 349 G HN 0.352 nan 8.290 nan 0.000 0.557 350 W N -0.316 120.972 121.300 -0.021 0.000 2.611 350 W HA 0.160 4.607 4.660 -0.355 0.000 0.251 350 W C 2.107 178.733 176.519 0.179 0.000 1.265 350 W CA -0.022 57.488 57.345 0.275 0.000 1.295 350 W CB 0.112 29.733 29.460 0.268 0.000 1.129 350 W HN 0.038 nan 8.180 nan 0.000 0.630 351 V N -0.555 119.470 119.914 0.185 0.000 3.048 351 V HA -0.042 3.871 4.120 -0.345 0.000 0.241 351 V C 1.618 177.761 176.094 0.082 0.000 1.129 351 V CA 0.965 63.343 62.300 0.129 0.000 1.128 351 V CB -0.266 31.594 31.823 0.061 0.000 0.849 351 V HN 0.062 nan 8.190 nan 0.000 0.475 352 N N 0.987 119.676 118.700 -0.019 0.000 2.422 352 N HA -0.002 4.531 4.740 -0.345 0.000 0.181 352 N C 0.743 176.394 175.510 0.234 0.000 1.080 352 N CA 0.064 53.153 53.050 0.065 0.000 0.893 352 N CB 0.077 38.571 38.487 0.012 0.000 0.973 352 N HN 0.752 nan 8.380 nan 0.000 0.456 353 E N 1.078 121.438 120.200 0.267 0.000 2.442 353 E HA 0.046 4.189 4.350 -0.345 0.000 0.262 353 E C -0.340 176.386 176.600 0.210 0.000 1.004 353 E CA 0.356 56.959 56.400 0.339 0.000 0.928 353 E CB 0.730 30.654 29.700 0.374 0.000 0.937 353 E HN 0.123 nan 8.360 nan 0.000 0.446 354 I N 4.204 124.851 120.570 0.129 0.000 2.371 354 I HA 0.175 4.138 4.170 -0.345 0.000 0.282 354 I C -0.146 176.031 176.117 0.099 0.000 1.031 354 I CA -0.632 60.725 61.300 0.095 0.000 1.180 354 I CB 0.508 38.528 38.000 0.033 0.000 1.336 354 I HN 0.406 nan 8.210 nan 0.000 0.467 355 L N 6.046 127.368 121.223 0.165 0.000 2.421 355 L HA 0.511 4.644 4.340 -0.345 0.000 0.263 355 L C -0.219 176.830 176.870 0.298 0.000 1.122 355 L CA -0.573 54.404 54.840 0.228 0.000 0.804 355 L CB 0.642 42.833 42.059 0.220 0.000 1.150 355 L HN 0.429 nan 8.230 nan 0.000 0.457 356 F N -1.422 118.545 119.950 0.028 0.000 2.664 356 F HA 0.552 4.865 4.527 -0.356 0.000 0.329 356 F C 0.933 176.742 175.800 0.016 0.000 1.090 356 F CA -1.653 56.357 58.000 0.018 0.000 0.978 356 F CB 0.429 39.430 39.000 0.001 0.000 1.378 356 F HN 0.379 nan 8.300 nan 0.000 0.495 357 E N 0.858 120.970 120.200 -0.145 0.000 2.132 357 E HA -0.261 3.882 4.350 -0.345 0.000 0.218 357 E C 2.106 178.484 176.600 -0.371 0.000 1.058 357 E CA 3.505 59.753 56.400 -0.253 0.000 0.882 357 E CB -0.786 28.790 29.700 -0.207 0.000 0.774 357 E HN 0.699 nan 8.360 nan 0.000 0.467 358 S N 0.388 115.669 115.700 -0.698 0.000 2.500 358 S HA -0.145 4.118 4.470 -0.345 0.000 0.239 358 S C 1.089 175.509 174.600 -0.301 0.000 0.989 358 S CA 1.163 59.075 58.200 -0.479 0.000 0.951 358 S CB -0.126 62.768 63.200 -0.509 0.000 0.759 358 S HN 0.128 nan 8.310 nan 0.000 0.523 359 D N 1.295 121.562 120.400 -0.221 0.000 2.363 359 D HA 0.036 4.469 4.640 -0.345 0.000 0.226 359 D C 1.635 177.899 176.300 -0.059 0.000 1.020 359 D CA 0.465 54.430 54.000 -0.058 0.000 0.892 359 D CB -0.165 40.683 40.800 0.080 0.000 0.900 359 D HN 0.491 nan 8.370 nan 0.000 0.531 360 E N 1.323 121.473 120.200 -0.083 0.000 2.160 360 E HA -0.146 3.997 4.350 -0.345 0.000 0.195 360 E C 1.927 178.506 176.600 -0.035 0.000 0.991 360 E CA 1.126 57.499 56.400 -0.045 0.000 0.810 360 E CB -0.145 29.524 29.700 -0.052 0.000 0.742 360 E HN 0.205 nan 8.360 nan 0.000 0.466 361 A N 0.469 123.237 122.820 -0.087 0.000 1.898 361 A HA -0.140 3.973 4.320 -0.345 0.000 0.216 361 A C 2.086 179.757 177.584 0.145 0.000 1.181 361 A CA 1.368 53.369 52.037 -0.061 0.000 0.620 361 A CB -0.483 18.252 19.000 -0.442 0.000 0.819 361 A HN 0.290 nan 8.150 nan 0.000 0.442 362 I N -0.080 120.519 120.570 0.048 0.000 2.252 362 I HA -0.161 3.802 4.170 -0.345 0.000 0.245 362 I C 2.516 178.615 176.117 -0.030 0.000 1.102 362 I CA 1.086 62.450 61.300 0.107 0.000 1.385 362 I CB -1.400 36.608 38.000 0.013 0.000 1.064 362 I HN 0.126 nan 8.210 nan 0.000 0.414 363 V N 1.539 121.370 119.914 -0.138 0.000 2.332 363 V HA -0.279 3.634 4.120 -0.345 0.000 0.248 363 V C 2.860 178.855 176.094 -0.164 0.000 1.055 363 V CA 1.851 63.975 62.300 -0.293 0.000 1.038 363 V CB -1.114 30.639 31.823 -0.116 0.000 0.651 363 V HN 0.462 nan 8.190 nan 0.000 0.450 364 A N 0.009 122.820 122.820 -0.014 0.000 1.902 364 A HA -0.280 3.833 4.320 -0.345 0.000 0.217 364 A C 2.176 179.751 177.584 -0.015 0.000 1.181 364 A CA 1.975 54.026 52.037 0.024 0.000 0.623 364 A CB -0.842 18.214 19.000 0.093 0.000 0.818 364 A HN 0.823 nan 8.150 nan 0.000 0.443 365 W N 0.934 122.135 121.300 -0.165 0.000 2.355 365 W HA -0.182 4.303 4.660 -0.292 0.000 0.309 365 W C 2.052 178.339 176.519 -0.386 0.000 1.206 365 W CA 1.566 58.738 57.345 -0.287 0.000 1.284 365 W CB -0.369 28.901 29.460 -0.316 0.000 1.145 365 W HN 0.309 nan 8.180 nan 0.000 0.502 366 R N 0.571 120.516 120.500 -0.926 0.000 2.091 366 R HA -0.158 3.975 4.340 -0.345 0.000 0.238 366 R C 2.391 178.298 176.300 -0.654 0.000 1.136 366 R CA 2.005 57.320 56.100 -1.308 0.000 0.959 366 R CB -0.388 29.134 30.300 -1.297 0.000 0.856 366 R HN 0.197 nan 8.270 nan 0.000 0.437 367 K N 0.469 120.680 120.400 -0.315 0.000 2.062 367 K HA -0.113 4.000 4.320 -0.345 0.000 0.205 367 K C 2.143 178.655 176.600 -0.147 0.000 1.051 367 K CA 0.892 57.126 56.287 -0.090 0.000 0.941 367 K CB -0.212 32.303 32.500 0.025 0.000 0.719 367 K HN 0.057 nan 8.250 nan 0.000 0.440 368 L N 1.186 122.293 121.223 -0.192 0.000 2.017 368 L HA -0.154 3.979 4.340 -0.345 0.000 0.208 368 L C 2.284 179.041 176.870 -0.189 0.000 1.073 368 L CA 1.809 56.595 54.840 -0.090 0.000 0.745 368 L CB -0.462 41.542 42.059 -0.091 0.000 0.894 368 L HN 0.109 nan 8.230 nan 0.000 0.432 369 A N -1.383 121.113 122.820 -0.540 0.000 1.933 369 A HA -0.171 3.942 4.320 -0.345 0.000 0.218 369 A C 2.380 179.782 177.584 -0.303 0.000 1.175 369 A CA 1.934 53.637 52.037 -0.558 0.000 0.628 369 A CB -0.904 17.508 19.000 -0.980 0.000 0.814 369 A HN 0.538 nan 8.150 nan 0.000 0.444 370 S N -0.457 115.129 115.700 -0.190 0.000 2.402 370 S HA -0.117 4.146 4.470 -0.345 0.000 0.229 370 S C 1.737 176.261 174.600 -0.126 0.000 1.021 370 S CA 1.494 59.666 58.200 -0.047 0.000 0.974 370 S CB -0.172 63.048 63.200 0.033 0.000 0.800 370 S HN 0.734 nan 8.310 nan 0.000 0.484 371 E N -0.422 119.658 120.200 -0.200 0.000 2.276 371 E HA 0.053 4.196 4.350 -0.345 0.000 0.193 371 E C 0.848 177.122 176.600 -0.544 0.000 0.983 371 E CA 0.518 56.709 56.400 -0.348 0.000 0.861 371 E CB 0.155 29.614 29.700 -0.402 0.000 0.817 371 E HN 0.522 nan 8.360 nan 0.000 0.485 372 H N 0.284 119.273 119.070 -0.134 0.000 2.784 372 H HA 0.113 4.461 4.556 -0.346 0.000 0.273 372 H C -0.093 175.154 175.328 -0.135 0.000 1.112 372 H CA -0.212 55.775 56.048 -0.102 0.000 1.162 372 H CB 0.008 29.737 29.762 -0.055 0.000 1.586 372 H HN 0.180 nan 8.280 nan 0.000 0.548 373 N N 0.780 119.329 118.700 -0.251 0.000 2.453 373 N HA -0.064 4.469 4.740 -0.345 0.000 0.253 373 N C 0.690 176.153 175.510 -0.077 0.000 1.252 373 N CA -0.037 52.772 53.050 -0.403 0.000 0.917 373 N CB 0.890 38.518 38.487 -1.432 0.000 1.117 373 N HN -0.157 nan 8.380 nan 0.000 0.442 374 Q N -0.085 119.782 119.800 0.110 0.000 2.222 374 Q HA 0.290 4.423 4.340 -0.345 0.000 0.206 374 Q C -0.090 175.911 176.000 0.002 0.000 0.877 374 Q CA 0.134 55.905 55.803 -0.054 0.000 0.958 374 Q CB 0.154 28.695 28.738 -0.329 0.000 1.075 374 Q HN 0.857 nan 8.270 nan 0.000 0.483 375 G N 0.407 109.255 108.800 0.080 0.000 2.318 375 G HA2 0.093 3.846 3.960 -0.345 0.000 0.302 375 G HA3 0.093 3.846 3.960 -0.345 0.000 0.302 375 G C -1.403 173.640 174.900 0.240 0.000 1.633 375 G CA -0.958 44.211 45.100 0.114 0.000 0.965 375 G HN 0.005 nan 8.290 nan 0.000 0.698 376 I N 1.620 122.313 120.570 0.204 0.000 2.304 376 I HA 0.318 4.282 4.170 -0.345 0.000 0.291 376 I C 0.671 176.848 176.117 0.100 0.000 1.018 376 I CA -0.718 60.713 61.300 0.219 0.000 1.260 376 I CB 1.160 39.273 38.000 0.189 0.000 1.390 376 I HN 0.692 nan 8.210 nan 0.000 0.475 377 Q N 5.508 125.315 119.800 0.012 0.000 2.337 377 Q HA 0.293 4.426 4.340 -0.345 0.000 0.270 377 Q C -0.132 175.927 176.000 0.099 0.000 1.002 377 Q CA 0.169 55.922 55.803 -0.083 0.000 0.888 377 Q CB 0.807 29.461 28.738 -0.140 0.000 1.222 377 Q HN 0.825 nan 8.270 nan 0.000 0.400 378 T N 0.386 115.131 114.554 0.318 0.000 2.916 378 T HA 0.265 4.408 4.350 -0.345 0.000 0.292 378 T C 0.471 175.266 174.700 0.159 0.000 1.064 378 T CA -0.798 61.434 62.100 0.220 0.000 1.011 378 T CB 1.432 70.414 68.868 0.190 0.000 1.152 378 T HN 0.539 nan 8.240 nan 0.000 0.510 379 Q N 0.833 120.680 119.800 0.078 0.000 2.226 379 Q HA 0.082 4.215 4.340 -0.345 0.000 0.204 379 Q C 2.186 178.209 176.000 0.037 0.000 0.975 379 Q CA 2.143 57.976 55.803 0.050 0.000 0.866 379 Q CB -0.975 27.780 28.738 0.028 0.000 0.915 379 Q HN 0.895 nan 8.270 nan 0.000 0.440 380 A N -1.033 121.792 122.820 0.009 0.000 1.969 380 A HA -0.180 3.933 4.320 -0.345 0.000 0.218 380 A C 1.637 179.190 177.584 -0.051 0.000 1.169 380 A CA 1.552 53.558 52.037 -0.051 0.000 0.635 380 A CB -0.756 18.177 19.000 -0.112 0.000 0.810 380 A HN 0.601 nan 8.150 nan 0.000 0.445 381 H N -1.147 117.935 119.070 0.020 0.000 2.387 381 H HA -0.060 4.290 4.556 -0.344 0.000 0.299 381 H C 2.033 177.378 175.328 0.028 0.000 1.090 381 H CA 1.601 57.666 56.048 0.029 0.000 1.332 381 H CB 0.074 29.851 29.762 0.026 0.000 1.386 381 H HN 0.285 nan 8.280 nan 0.000 0.516 382 V N 0.035 120.030 119.914 0.135 0.000 2.323 382 V HA -0.222 3.691 4.120 -0.345 0.000 0.244 382 V C 2.407 178.530 176.094 0.049 0.000 1.041 382 V CA 1.910 64.256 62.300 0.078 0.000 1.025 382 V CB -0.421 31.431 31.823 0.050 0.000 0.656 382 V HN 0.586 nan 8.190 nan 0.000 0.451 383 S N -0.424 115.293 115.700 0.029 0.000 2.406 383 S HA 0.347 4.610 4.470 -0.345 0.000 0.224 383 S C 1.063 175.663 174.600 0.000 0.000 1.030 383 S CA 0.641 58.847 58.200 0.009 0.000 0.958 383 S CB 0.478 63.676 63.200 -0.003 0.000 0.811 383 S HN 1.194 nan 8.310 nan 0.000 0.489 384 G N 0.870 109.666 108.800 -0.006 0.000 2.177 384 G HA2 0.242 3.995 3.960 -0.345 0.000 0.202 384 G HA3 0.242 3.995 3.960 -0.345 0.000 0.202 384 G C -0.887 173.983 174.900 -0.049 0.000 1.581 384 G CA -1.079 44.011 45.100 -0.017 0.000 0.983 384 G HN 0.341 nan 8.290 nan 0.000 0.689 385 L N 1.278 122.472 121.223 -0.048 0.000 2.593 385 L HA 0.132 4.265 4.340 -0.345 0.000 0.287 385 L C 0.717 177.540 176.870 -0.079 0.000 1.243 385 L CA 0.765 55.564 54.840 -0.068 0.000 0.890 385 L CB 0.341 42.393 42.059 -0.012 0.000 1.134 385 L HN 0.570 nan 8.230 nan 0.000 0.502 386 E N 3.331 123.476 120.200 -0.092 0.000 2.210 386 E HA 0.482 4.625 4.350 -0.345 0.000 0.266 386 E C -1.103 175.413 176.600 -0.140 0.000 0.883 386 E CA -0.691 55.587 56.400 -0.204 0.000 0.761 386 E CB 1.856 31.448 29.700 -0.179 0.000 1.156 386 E HN 0.578 nan 8.360 nan 0.000 0.412 387 H N 1.321 120.266 119.070 -0.207 0.000 3.037 387 H HA 0.469 4.818 4.556 -0.345 0.000 0.336 387 H C -1.105 174.102 175.328 -0.202 0.000 1.323 387 H CA -0.671 55.282 56.048 -0.159 0.000 1.159 387 H CB 1.426 31.154 29.762 -0.056 0.000 1.882 387 H HN 0.630 nan 8.280 nan 0.000 0.535 388 H N -0.649 118.484 119.070 0.105 0.000 4.010 388 H HA 0.426 4.775 4.556 -0.345 0.000 0.378 388 H C -0.599 174.763 175.328 0.056 0.000 1.639 388 H CA -0.452 55.579 56.048 -0.029 0.000 1.137 388 H CB 2.109 31.780 29.762 -0.152 0.000 1.373 388 H HN 0.874 nan 8.280 nan 0.000 0.737 389 H N 0.000 119.191 119.070 0.202 0.000 2.539 389 H HA 0.000 4.349 4.556 -0.345 0.000 0.296 389 H CA 0.000 56.108 56.048 0.100 0.000 1.023 389 H CB 0.000 29.811 29.762 0.081 0.000 1.292 389 H HN 0.000 nan 8.280 nan 0.000 0.496