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 1yid_1_C DATA FIRST_RESID 21 DATA SEQUENCE ARPRVLTGDR PTGALHLGHL AGSLQNRVRL QDEAELFVLL ADVQALTDHF DATA SEQUENCE DRPEQVRENV LAVALDYLAA GLDPQKTTCV VQSAVPELAE LTVYFLNLVT DATA SEQUENCE VSHLRQNPTV KAEIAQKGYG ERVPAGFFVY PVSQAADIAA FGATLVPVGD DATA SEQUENCE DQLPMLEQTR EIVRRFNALY APVLAEPQAQ LSRVPRLPGL DGQAKMSKSL DATA SEQUENCE GNAIALGDSA DEVARKVMGM YTDPGHLRAS DPGRVEGNPV FTFLDAFDPD DATA SEQUENCE PARVQALKDQ YRAGGLGDVK VKKHLIDVLN GVLAPIRTRR AEYERDPDAV DATA SEQUENCE LRFVTEGTAR GREVAAQTLG QVRRAMRLFG H 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 21 A HA 0.000 nan 4.320 nan 0.000 0.244 21 A C 0.000 177.591 177.584 0.012 0.000 1.274 21 A CA 0.000 52.049 52.037 0.020 0.000 0.836 21 A CB 0.000 19.018 19.000 0.030 0.000 0.831 22 R N 0.705 121.208 120.500 0.004 0.000 2.207 22 R HA 0.294 4.633 4.340 -0.000 0.000 0.184 22 R C -1.746 174.546 176.300 -0.014 0.000 1.280 22 R CA 0.194 56.293 56.100 -0.002 0.000 1.166 22 R CB -0.361 29.938 30.300 -0.002 0.000 1.116 22 R HN 0.532 nan 8.270 nan 0.000 0.494 23 P HA 0.211 nan 4.420 nan 0.000 0.288 23 P C -1.245 176.023 177.300 -0.053 0.000 1.267 23 P CA -0.388 62.692 63.100 -0.033 0.000 0.815 23 P CB 1.241 32.926 31.700 -0.025 0.000 0.989 24 R N 1.841 122.285 120.500 -0.094 0.000 2.298 24 R HA 0.386 4.726 4.340 -0.000 0.000 0.310 24 R C -0.766 175.452 176.300 -0.137 0.000 1.068 24 R CA -0.271 55.725 56.100 -0.172 0.000 0.957 24 R CB 0.134 30.260 30.300 -0.290 0.000 1.003 24 R HN 0.246 nan 8.270 nan 0.000 0.454 25 V N 6.371 126.224 119.914 -0.102 0.000 2.435 25 V HA 0.380 4.500 4.120 -0.000 0.000 0.290 25 V C -0.670 175.403 176.094 -0.034 0.000 1.030 25 V CA -0.898 61.373 62.300 -0.049 0.000 0.881 25 V CB 1.449 33.264 31.823 -0.013 0.000 0.983 25 V HN 0.599 nan 8.190 nan 0.000 0.445 26 L N 5.536 126.752 121.223 -0.010 0.000 2.329 26 L HA 0.929 5.269 4.340 -0.000 0.000 0.279 26 L C 0.152 177.045 176.870 0.038 0.000 1.014 26 L CA 0.586 55.449 54.840 0.038 0.000 0.814 26 L CB 1.989 44.096 42.059 0.080 0.000 1.257 26 L HN 0.974 nan 8.230 nan 0.000 0.424 27 T N 0.912 115.484 114.554 0.030 0.000 2.754 27 T HA 1.002 5.352 4.350 -0.000 0.000 0.296 27 T C -0.381 174.327 174.700 0.014 0.000 1.205 27 T CA -0.300 61.807 62.100 0.011 0.000 1.009 27 T CB 1.500 70.348 68.868 -0.032 0.000 1.368 27 T HN 1.129 nan 8.240 nan 0.000 0.509 28 G N -0.524 108.289 108.800 0.022 0.000 2.320 28 G HA2 0.538 4.497 3.960 -0.000 0.000 0.296 28 G HA3 0.538 4.497 3.960 -0.000 0.000 0.296 28 G C -2.586 172.371 174.900 0.095 0.000 1.306 28 G CA -0.722 44.416 45.100 0.062 0.000 0.836 28 G HN 0.868 nan 8.290 nan 0.000 0.517 29 D N 0.141 120.610 120.400 0.115 0.000 2.927 29 D HA 0.291 4.931 4.640 -0.000 0.000 0.219 29 D C -0.443 175.871 176.300 0.023 0.000 1.248 29 D CA -0.601 53.444 54.000 0.075 0.000 0.861 29 D CB 2.150 42.996 40.800 0.077 0.000 1.677 29 D HN 0.623 nan 8.370 nan 0.000 0.511 30 R N 0.754 121.254 120.500 -0.000 0.000 2.234 30 R HA 0.412 4.752 4.340 -0.000 0.000 0.324 30 R C -2.645 173.610 176.300 -0.075 0.000 1.054 30 R CA -1.638 54.444 56.100 -0.031 0.000 0.912 30 R CB -0.065 30.216 30.300 -0.032 0.000 1.030 30 R HN -0.062 nan 8.270 nan 0.000 0.455 31 P HA 0.108 nan 4.420 nan 0.000 0.266 31 P C -0.320 176.878 177.300 -0.170 0.000 1.419 31 P CA 0.156 63.174 63.100 -0.137 0.000 1.112 31 P CB 0.845 32.470 31.700 -0.125 0.000 1.438 32 T N 0.193 114.639 114.554 -0.181 0.000 2.958 32 T HA 0.416 4.765 4.350 -0.000 0.000 0.256 32 T C 0.617 175.235 174.700 -0.137 0.000 0.983 32 T CA 0.296 62.246 62.100 -0.249 0.000 0.924 32 T CB 0.591 69.270 68.868 -0.315 0.000 1.136 32 T HN 0.468 nan 8.240 nan 0.000 0.506 33 G N 0.671 109.413 108.800 -0.097 0.000 2.490 33 G HA2 0.609 4.569 3.960 -0.000 0.000 0.308 33 G HA3 0.609 4.569 3.960 -0.000 0.000 0.308 33 G C -1.677 173.181 174.900 -0.071 0.000 1.286 33 G CA -0.200 44.869 45.100 -0.052 0.000 0.825 33 G HN 0.258 nan 8.290 nan 0.000 0.479 34 A N -0.746 122.053 122.820 -0.034 0.000 2.322 34 A HA 0.703 5.023 4.320 -0.000 0.000 0.269 34 A C -0.130 177.417 177.584 -0.062 0.000 1.094 34 A CA -0.205 51.798 52.037 -0.056 0.000 0.807 34 A CB 0.565 19.556 19.000 -0.015 0.000 1.047 34 A HN 0.711 nan 8.150 nan 0.000 0.487 35 L N 1.576 122.705 121.223 -0.157 0.000 2.453 35 L HA 0.443 4.783 4.340 -0.000 0.000 0.261 35 L C 0.613 177.520 176.870 0.062 0.000 1.179 35 L CA 0.768 55.450 54.840 -0.262 0.000 0.813 35 L CB 0.601 42.451 42.059 -0.347 0.000 1.110 35 L HN 0.978 nan 8.230 nan 0.000 0.466 36 H N -0.811 118.468 119.070 0.349 0.000 2.931 36 H HA 0.382 4.937 4.556 -0.000 0.000 0.331 36 H C 0.400 175.817 175.328 0.148 0.000 1.273 36 H CA -0.993 55.169 56.048 0.189 0.000 1.171 36 H CB 0.024 29.873 29.762 0.145 0.000 1.898 36 H HN 0.275 nan 8.280 nan 0.000 0.562 37 L N 0.639 122.042 121.223 0.300 0.000 2.197 37 L HA -0.037 4.303 4.340 -0.000 0.000 0.215 37 L C 2.180 179.201 176.870 0.250 0.000 1.095 37 L CA 2.408 57.339 54.840 0.151 0.000 0.764 37 L CB -1.070 40.950 42.059 -0.065 0.000 0.897 37 L HN 0.990 nan 8.230 nan 0.000 0.436 38 G N -2.115 106.948 108.800 0.438 0.000 2.404 38 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.215 38 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.215 38 G C 1.313 176.245 174.900 0.053 0.000 1.174 38 G CA 0.950 46.175 45.100 0.209 0.000 0.780 38 G HN 0.572 nan 8.290 nan 0.000 0.537 39 H N -0.614 118.470 119.070 0.023 0.000 2.423 39 H HA 0.054 4.610 4.556 -0.000 0.000 0.297 39 H C 2.256 177.599 175.328 0.024 0.000 1.075 39 H CA 0.844 56.863 56.048 -0.049 0.000 1.342 39 H CB -0.021 29.645 29.762 -0.161 0.000 1.395 39 H HN 0.286 nan 8.280 nan 0.000 0.530 40 L N 0.775 122.119 121.223 0.202 0.000 1.976 40 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 40 L C 2.386 179.359 176.870 0.171 0.000 1.071 40 L CA 1.935 56.883 54.840 0.181 0.000 0.746 40 L CB -1.012 41.166 42.059 0.198 0.000 0.890 40 L HN 0.251 nan 8.230 nan 0.000 0.432 41 A N -0.777 122.153 122.820 0.184 0.000 1.873 41 A HA -0.033 4.287 4.320 -0.000 0.000 0.215 41 A C 2.300 179.863 177.584 -0.034 0.000 1.186 41 A CA 1.510 53.534 52.037 -0.022 0.000 0.616 41 A CB -1.567 17.297 19.000 -0.226 0.000 0.823 41 A HN 0.542 nan 8.150 nan 0.000 0.442 42 G N -1.115 107.687 108.800 0.003 0.000 2.422 42 G HA2 0.013 3.973 3.960 -0.000 0.000 0.218 42 G HA3 0.013 3.973 3.960 -0.000 0.000 0.218 42 G C 1.563 176.474 174.900 0.018 0.000 1.140 42 G CA 2.095 47.194 45.100 -0.000 0.000 0.775 42 G HN 1.076 nan 8.290 nan 0.000 0.545 43 S N -1.566 114.161 115.700 0.043 0.000 3.102 43 S HA 0.173 4.643 4.470 -0.000 0.000 0.265 43 S C 1.958 176.570 174.600 0.020 0.000 1.072 43 S CA 0.158 58.377 58.200 0.032 0.000 0.946 43 S CB -0.229 63.000 63.200 0.048 0.000 0.901 43 S HN 0.124 nan 8.310 nan 0.000 0.437 44 L N 1.981 123.228 121.223 0.040 0.000 1.970 44 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 44 L C 3.058 179.937 176.870 0.015 0.000 1.071 44 L CA 2.065 56.917 54.840 0.021 0.000 0.751 44 L CB -0.875 41.218 42.059 0.056 0.000 0.889 44 L HN 0.399 nan 8.230 nan 0.000 0.432 45 Q N -0.035 119.787 119.800 0.037 0.000 2.045 45 Q HA -0.282 4.058 4.340 -0.000 0.000 0.206 45 Q C 2.088 178.094 176.000 0.010 0.000 0.991 45 Q CA 2.105 57.927 55.803 0.032 0.000 0.851 45 Q CB -0.588 28.178 28.738 0.046 0.000 0.911 45 Q HN 0.608 nan 8.270 nan 0.000 0.418 46 N N 0.905 119.606 118.700 0.002 0.000 2.104 46 N HA -0.218 4.522 4.740 -0.000 0.000 0.190 46 N C 1.689 177.192 175.510 -0.012 0.000 1.024 46 N CA 1.226 54.272 53.050 -0.006 0.000 0.853 46 N CB -0.033 38.449 38.487 -0.007 0.000 1.008 46 N HN 0.140 nan 8.380 nan 0.000 0.424 47 R N 0.144 120.630 120.500 -0.023 0.000 2.115 47 R HA 0.039 4.379 4.340 -0.000 0.000 0.230 47 R C 2.319 178.598 176.300 -0.035 0.000 1.111 47 R CA 0.756 56.830 56.100 -0.043 0.000 0.976 47 R CB -0.094 30.153 30.300 -0.088 0.000 0.870 47 R HN 0.098 nan 8.270 nan 0.000 0.445 48 V N 0.555 120.455 119.914 -0.023 0.000 2.626 48 V HA -0.226 3.894 4.120 -0.000 0.000 0.252 48 V C 2.856 178.947 176.094 -0.006 0.000 1.067 48 V CA 2.245 64.536 62.300 -0.014 0.000 1.081 48 V CB -0.682 31.139 31.823 -0.004 0.000 0.686 48 V HN 0.485 nan 8.190 nan 0.000 0.468 49 R N 0.054 120.552 120.500 -0.004 0.000 2.062 49 R HA 0.025 4.365 4.340 -0.000 0.000 0.229 49 R C 2.134 178.434 176.300 -0.001 0.000 1.128 49 R CA 1.633 57.733 56.100 -0.000 0.000 0.960 49 R CB -1.182 29.118 30.300 0.000 0.000 0.855 49 R HN 0.539 nan 8.270 nan 0.000 0.432 50 L N 1.604 122.824 121.223 -0.005 0.000 2.079 50 L HA -0.304 4.036 4.340 -0.000 0.000 0.210 50 L C 3.154 180.027 176.870 0.004 0.000 1.081 50 L CA 2.056 56.895 54.840 -0.002 0.000 0.752 50 L CB -0.515 41.540 42.059 -0.007 0.000 0.896 50 L HN 0.682 nan 8.230 nan 0.000 0.433 51 Q N -0.888 118.914 119.800 0.003 0.000 2.297 51 Q HA -0.224 4.116 4.340 -0.000 0.000 0.208 51 Q C 0.922 176.932 176.000 0.017 0.000 0.981 51 Q CA 1.665 57.476 55.803 0.013 0.000 0.876 51 Q CB -0.225 28.519 28.738 0.011 0.000 0.921 51 Q HN 0.454 nan 8.270 nan 0.000 0.446 52 D N 1.248 121.655 120.400 0.011 0.000 2.354 52 D HA -0.043 4.597 4.640 -0.000 0.000 0.209 52 D C 0.788 177.094 176.300 0.011 0.000 1.015 52 D CA 0.802 54.809 54.000 0.012 0.000 0.867 52 D CB 0.330 41.136 40.800 0.009 0.000 0.933 52 D HN 0.707 nan 8.370 nan 0.000 0.520 53 E N -0.186 120.020 120.200 0.009 0.000 2.812 53 E HA 0.528 4.878 4.350 -0.000 0.000 0.211 53 E C 0.004 176.608 176.600 0.007 0.000 0.986 53 E CA -0.437 55.967 56.400 0.007 0.000 1.119 53 E CB 1.032 30.735 29.700 0.004 0.000 1.046 53 E HN -0.003 nan 8.360 nan 0.000 0.474 54 A N 0.956 123.783 122.820 0.012 0.000 2.483 54 A HA 0.393 4.713 4.320 -0.000 0.000 0.294 54 A C -1.739 175.861 177.584 0.027 0.000 1.077 54 A CA -0.786 51.257 52.037 0.011 0.000 0.633 54 A CB 1.247 20.249 19.000 0.003 0.000 1.318 54 A HN 0.121 nan 8.150 nan 0.000 0.455 55 E N 1.167 121.386 120.200 0.031 0.000 2.055 55 E HA 0.404 4.754 4.350 -0.000 0.000 0.274 55 E C -1.228 175.448 176.600 0.126 0.000 0.949 55 E CA -0.470 55.980 56.400 0.083 0.000 0.775 55 E CB 0.688 30.433 29.700 0.074 0.000 1.097 55 E HN 0.549 nan 8.360 nan 0.000 0.404 56 L N 6.526 127.841 121.223 0.154 0.000 2.292 56 L HA 0.424 4.764 4.340 -0.000 0.000 0.284 56 L C -1.405 175.650 176.870 0.307 0.000 1.065 56 L CA -0.053 54.885 54.840 0.162 0.000 0.806 56 L CB 0.297 42.386 42.059 0.050 0.000 1.175 56 L HN 0.641 nan 8.230 nan 0.000 0.431 57 F N 4.661 124.529 119.950 -0.137 0.000 2.482 57 F HA 0.464 4.991 4.527 0.000 0.000 0.331 57 F C 0.135 175.804 175.800 -0.219 0.000 1.115 57 F CA -1.037 56.831 58.000 -0.219 0.000 0.955 57 F CB 2.183 41.007 39.000 -0.294 0.000 1.136 57 F HN 0.338 nan 8.300 nan 0.000 0.452 58 V N 3.063 122.880 119.914 -0.161 0.000 2.487 58 V HA 0.605 4.725 4.120 -0.000 0.000 0.298 58 V C -1.205 174.818 176.094 -0.118 0.000 1.028 58 V CA -0.945 61.265 62.300 -0.150 0.000 0.860 58 V CB 1.557 33.207 31.823 -0.289 0.000 0.991 58 V HN 0.614 nan 8.190 nan 0.000 0.427 59 L N 6.076 127.280 121.223 -0.032 0.000 2.265 59 L HA 0.557 4.897 4.340 -0.000 0.000 0.289 59 L C -0.296 176.610 176.870 0.060 0.000 1.033 59 L CA -0.232 54.611 54.840 0.005 0.000 0.814 59 L CB 1.050 43.160 42.059 0.086 0.000 1.203 59 L HN 0.752 nan 8.230 nan 0.000 0.423 60 L N 6.571 127.811 121.223 0.029 0.000 2.356 60 L HA 0.345 4.685 4.340 -0.000 0.000 0.282 60 L C 0.815 177.690 176.870 0.008 0.000 1.132 60 L CA -0.372 54.474 54.840 0.009 0.000 0.923 60 L CB 0.603 42.630 42.059 -0.053 0.000 1.278 60 L HN 0.846 nan 8.230 nan 0.000 0.436 61 A N 2.102 124.937 122.820 0.024 0.000 3.030 61 A HA 0.034 4.354 4.320 -0.000 0.000 0.273 61 A C 1.305 178.894 177.584 0.008 0.000 1.841 61 A CA -0.407 51.648 52.037 0.029 0.000 1.479 61 A CB -0.525 18.498 19.000 0.039 0.000 1.048 61 A HN 0.778 nan 8.150 nan 0.000 0.612 62 D N 0.626 121.026 120.400 0.001 0.000 2.269 62 D HA -0.131 4.509 4.640 -0.000 0.000 0.208 62 D C 1.383 177.696 176.300 0.023 0.000 0.963 62 D CA 1.183 55.181 54.000 -0.003 0.000 0.864 62 D CB -0.446 40.346 40.800 -0.013 0.000 0.936 62 D HN 0.281 nan 8.370 nan 0.000 0.505 63 V N 0.684 120.616 119.914 0.030 0.000 2.323 63 V HA -0.227 3.893 4.120 -0.000 0.000 0.244 63 V C 2.826 178.955 176.094 0.058 0.000 1.041 63 V CA 1.791 64.117 62.300 0.043 0.000 1.025 63 V CB -0.807 31.035 31.823 0.031 0.000 0.656 63 V HN 0.214 nan 8.190 nan 0.000 0.451 64 Q N 0.162 119.987 119.800 0.042 0.000 2.079 64 Q HA -0.176 4.164 4.340 -0.000 0.000 0.200 64 Q C 2.214 178.237 176.000 0.039 0.000 0.974 64 Q CA 1.761 57.578 55.803 0.024 0.000 0.840 64 Q CB -0.302 28.426 28.738 -0.016 0.000 0.898 64 Q HN 0.616 nan 8.270 nan 0.000 0.430 65 A N 0.598 123.441 122.820 0.038 0.000 2.076 65 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 65 A C 1.873 179.565 177.584 0.180 0.000 1.160 65 A CA 0.995 53.068 52.037 0.060 0.000 0.653 65 A CB -0.510 18.468 19.000 -0.038 0.000 0.801 65 A HN 0.472 nan 8.150 nan 0.000 0.455 66 L N -0.002 121.322 121.223 0.168 0.000 2.492 66 L HA -0.065 4.274 4.340 -0.000 0.000 0.223 66 L C 2.636 179.712 176.870 0.343 0.000 1.132 66 L CA 1.196 56.182 54.840 0.244 0.000 0.850 66 L CB -0.522 41.643 42.059 0.176 0.000 0.966 66 L HN 0.634 nan 8.230 nan 0.000 0.454 67 T N -3.363 111.376 114.554 0.308 0.000 3.007 67 T HA -0.131 4.218 4.350 -0.000 0.000 0.270 67 T C 1.103 176.148 174.700 0.574 0.000 1.107 67 T CA 1.357 63.684 62.100 0.379 0.000 1.118 67 T CB -0.135 68.928 68.868 0.325 0.000 0.889 67 T HN 0.504 nan 8.240 nan 0.000 0.506 68 D N -1.368 119.343 120.400 0.517 0.000 2.490 68 D HA -0.008 4.632 4.640 -0.000 0.000 0.246 68 D C 0.965 177.217 176.300 -0.079 0.000 1.196 68 D CA -0.164 54.039 54.000 0.338 0.000 0.812 68 D CB -0.709 40.238 40.800 0.244 0.000 1.191 68 D HN 0.510 nan 8.370 nan 0.000 0.531 69 H N 0.492 119.611 119.070 0.081 0.000 2.486 69 H HA 0.181 4.736 4.556 -0.000 0.000 0.284 69 H C 0.659 175.952 175.328 -0.060 0.000 1.103 69 H CA -0.221 55.786 56.048 -0.067 0.000 1.089 69 H CB 0.103 29.864 29.762 -0.002 0.000 1.603 69 H HN 0.175 nan 8.280 nan 0.000 0.557 70 F N 1.210 121.225 119.950 0.108 0.000 2.408 70 F HA -0.104 4.423 4.527 -0.000 0.000 0.300 70 F C 1.546 177.378 175.800 0.053 0.000 1.090 70 F CA 0.649 58.693 58.000 0.075 0.000 1.427 70 F CB -0.129 38.904 39.000 0.054 0.000 1.070 70 F HN 0.014 nan 8.300 nan 0.000 0.549 71 D N 0.118 120.293 120.400 -0.375 0.000 2.360 71 D HA -0.002 4.638 4.640 -0.000 0.000 0.210 71 D C 0.795 177.039 176.300 -0.093 0.000 1.047 71 D CA 0.109 53.971 54.000 -0.231 0.000 0.854 71 D CB -0.363 40.181 40.800 -0.426 0.000 0.936 71 D HN 0.392 nan 8.370 nan 0.000 0.514 72 R N 0.979 121.454 120.500 -0.040 0.000 2.782 72 R HA 0.209 4.549 4.340 -0.000 0.000 0.293 72 R C -1.963 174.371 176.300 0.056 0.000 1.333 72 R CA -1.090 55.026 56.100 0.026 0.000 1.479 72 R CB 1.388 31.729 30.300 0.069 0.000 1.306 72 R HN 0.080 nan 8.270 nan 0.000 0.654 73 P HA -0.155 nan 4.420 nan 0.000 0.222 73 P C 0.715 178.029 177.300 0.024 0.000 1.147 73 P CA 1.070 64.200 63.100 0.048 0.000 0.790 73 P CB 0.556 32.289 31.700 0.055 0.000 0.780 74 E N 0.299 120.510 120.200 0.018 0.000 2.072 74 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 74 E C 2.200 178.797 176.600 -0.004 0.000 0.982 74 E CA 0.789 57.193 56.400 0.006 0.000 0.803 74 E CB -0.517 29.187 29.700 0.006 0.000 0.755 74 E HN 0.384 nan 8.360 nan 0.000 0.453 75 Q N 0.634 120.434 119.800 -0.000 0.000 2.096 75 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 75 Q C 2.141 178.110 176.000 -0.052 0.000 0.982 75 Q CA 1.562 57.355 55.803 -0.018 0.000 0.850 75 Q CB 0.189 28.930 28.738 0.006 0.000 0.901 75 Q HN 0.082 nan 8.270 nan 0.000 0.422 76 V N 0.919 120.804 119.914 -0.048 0.000 2.307 76 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 76 V C 2.518 178.580 176.094 -0.054 0.000 1.045 76 V CA 2.141 64.399 62.300 -0.070 0.000 1.024 76 V CB -0.827 30.974 31.823 -0.036 0.000 0.651 76 V HN 0.421 nan 8.190 nan 0.000 0.449 77 R N 0.207 120.689 120.500 -0.030 0.000 2.096 77 R HA -0.217 4.123 4.340 -0.000 0.000 0.240 77 R C 2.236 178.513 176.300 -0.039 0.000 1.139 77 R CA 1.927 58.011 56.100 -0.028 0.000 0.952 77 R CB -0.252 30.040 30.300 -0.014 0.000 0.854 77 R HN 0.422 nan 8.270 nan 0.000 0.436 78 E N 0.308 120.485 120.200 -0.038 0.000 2.204 78 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 78 E C 1.277 177.840 176.600 -0.061 0.000 0.989 78 E CA 0.679 57.054 56.400 -0.042 0.000 0.824 78 E CB -0.171 29.509 29.700 -0.033 0.000 0.756 78 E HN 0.424 nan 8.360 nan 0.000 0.477 79 N N 0.491 119.145 118.700 -0.077 0.000 2.412 79 N HA -0.068 4.672 4.740 -0.000 0.000 0.184 79 N C 1.780 177.213 175.510 -0.128 0.000 1.101 79 N CA 0.151 53.139 53.050 -0.103 0.000 0.881 79 N CB 0.537 38.954 38.487 -0.116 0.000 0.969 79 N HN 0.045 nan 8.380 nan 0.000 0.459 80 V N 0.751 120.600 119.914 -0.108 0.000 2.261 80 V HA -0.170 3.950 4.120 -0.000 0.000 0.246 80 V C 2.009 178.022 176.094 -0.136 0.000 1.047 80 V CA 1.385 63.612 62.300 -0.121 0.000 1.015 80 V CB -0.268 31.505 31.823 -0.084 0.000 0.642 80 V HN 0.056 nan 8.190 nan 0.000 0.446 81 L N 0.588 121.752 121.223 -0.098 0.000 2.141 81 L HA 0.102 4.442 4.340 -0.000 0.000 0.209 81 L C 2.669 179.473 176.870 -0.110 0.000 1.094 81 L CA 2.155 56.943 54.840 -0.086 0.000 0.763 81 L CB -1.475 40.553 42.059 -0.050 0.000 0.908 81 L HN 0.443 nan 8.230 nan 0.000 0.437 82 A N -0.786 121.962 122.820 -0.119 0.000 1.930 82 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 82 A C 2.261 179.729 177.584 -0.193 0.000 1.175 82 A CA 1.794 53.756 52.037 -0.126 0.000 0.627 82 A CB -0.845 18.094 19.000 -0.102 0.000 0.815 82 A HN 0.308 nan 8.150 nan 0.000 0.443 83 V N -2.440 117.312 119.914 -0.270 0.000 2.548 83 V HA 0.043 4.163 4.120 -0.000 0.000 0.249 83 V C 2.535 178.263 176.094 -0.609 0.000 1.055 83 V CA 1.438 63.477 62.300 -0.435 0.000 1.065 83 V CB -1.508 30.015 31.823 -0.499 0.000 0.681 83 V HN 0.469 nan 8.190 nan 0.000 0.462 84 A N 1.035 123.589 122.820 -0.444 0.000 1.883 84 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 84 A C 2.343 179.830 177.584 -0.161 0.000 1.186 84 A CA 2.228 54.109 52.037 -0.261 0.000 0.624 84 A CB -0.764 18.198 19.000 -0.064 0.000 0.822 84 A HN 0.528 nan 8.150 nan 0.000 0.444 85 L N -0.308 120.809 121.223 -0.176 0.000 2.042 85 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 85 L C 1.730 178.493 176.870 -0.179 0.000 1.076 85 L CA 2.613 57.342 54.840 -0.185 0.000 0.749 85 L CB -0.962 41.030 42.059 -0.111 0.000 0.893 85 L HN 0.388 nan 8.230 nan 0.000 0.432 86 D N -0.816 119.483 120.400 -0.168 0.000 2.144 86 D HA -0.234 4.406 4.640 -0.000 0.000 0.199 86 D C 2.115 178.415 176.300 0.000 0.000 0.984 86 D CA 1.354 55.289 54.000 -0.107 0.000 0.834 86 D CB -0.265 40.450 40.800 -0.143 0.000 0.955 86 D HN 0.504 nan 8.370 nan 0.000 0.465 87 Y N 0.715 120.957 120.300 -0.096 0.000 2.181 87 Y HA -0.142 4.408 4.550 0.000 0.000 0.288 87 Y C 2.587 178.388 175.900 -0.166 0.000 1.146 87 Y CA 0.154 58.213 58.100 -0.067 0.000 1.164 87 Y CB -0.035 38.467 38.460 0.070 0.000 0.982 87 Y HN -0.069 nan 8.280 nan 0.000 0.515 88 L N -0.529 120.600 121.223 -0.157 0.000 2.005 88 L HA -0.205 4.135 4.340 -0.000 0.000 0.207 88 L C 2.843 179.568 176.870 -0.243 0.000 1.072 88 L CA 0.941 55.508 54.840 -0.455 0.000 0.744 88 L CB -0.884 40.551 42.059 -1.039 0.000 0.895 88 L HN 0.157 nan 8.230 nan 0.000 0.433 89 A N 0.287 123.006 122.820 -0.168 0.000 1.948 89 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 89 A C 2.508 180.080 177.584 -0.021 0.000 1.177 89 A CA 2.022 54.031 52.037 -0.048 0.000 0.636 89 A CB -0.791 18.189 19.000 -0.034 0.000 0.815 89 A HN 0.437 nan 8.150 nan 0.000 0.449 90 A N -2.226 120.584 122.820 -0.017 0.000 1.972 90 A HA 0.310 4.630 4.320 -0.000 0.000 0.219 90 A C 1.989 179.571 177.584 -0.004 0.000 1.169 90 A CA 1.960 54.000 52.037 0.005 0.000 0.635 90 A CB -0.699 18.322 19.000 0.034 0.000 0.810 90 A HN 1.909 nan 8.150 nan 0.000 0.446 91 G N -3.071 105.713 108.800 -0.026 0.000 2.234 91 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.153 91 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.153 91 G C -0.239 174.637 174.900 -0.041 0.000 1.013 91 G CA -0.101 44.985 45.100 -0.023 0.000 0.712 91 G HN 0.314 nan 8.290 nan 0.000 0.491 92 L N 2.321 123.507 121.223 -0.061 0.000 2.462 92 L HA 0.420 4.760 4.340 -0.000 0.000 0.272 92 L C 0.125 176.932 176.870 -0.106 0.000 1.166 92 L CA -0.429 54.379 54.840 -0.054 0.000 0.880 92 L CB 0.951 43.002 42.059 -0.014 0.000 1.142 92 L HN 0.196 nan 8.230 nan 0.000 0.473 93 D N 6.592 126.967 120.400 -0.042 0.000 2.316 93 D HA 0.173 4.813 4.640 -0.000 0.000 0.245 93 D C -1.730 174.575 176.300 0.008 0.000 1.171 93 D CA -1.813 52.165 54.000 -0.037 0.000 0.856 93 D CB 1.752 42.553 40.800 0.001 0.000 1.090 93 D HN 0.308 nan 8.370 nan 0.000 0.476 94 P HA -0.132 nan 4.420 nan 0.000 0.220 94 P C 0.816 178.209 177.300 0.154 0.000 1.144 94 P CA 0.955 64.128 63.100 0.121 0.000 0.800 94 P CB 0.375 32.081 31.700 0.009 0.000 0.772 95 Q N -1.482 118.363 119.800 0.076 0.000 2.392 95 Q HA 0.089 4.429 4.340 -0.000 0.000 0.203 95 Q C 1.446 177.475 176.000 0.049 0.000 0.917 95 Q CA 0.795 56.632 55.803 0.057 0.000 0.939 95 Q CB 0.298 29.059 28.738 0.038 0.000 1.063 95 Q HN 0.218 nan 8.270 nan 0.000 0.516 96 K N -0.278 120.156 120.400 0.057 0.000 2.367 96 K HA 0.060 4.380 4.320 -0.000 0.000 0.198 96 K C 0.602 177.231 176.600 0.049 0.000 1.132 96 K CA 0.575 56.890 56.287 0.046 0.000 0.941 96 K CB 0.834 33.355 32.500 0.035 0.000 1.052 96 K HN 0.136 nan 8.250 nan 0.000 0.507 97 T N -0.456 114.144 114.554 0.076 0.000 2.823 97 T HA 0.355 4.705 4.350 -0.000 0.000 0.279 97 T C -0.427 174.235 174.700 -0.063 0.000 0.998 97 T CA -0.684 61.438 62.100 0.037 0.000 0.994 97 T CB 1.502 70.411 68.868 0.069 0.000 0.960 97 T HN -0.068 nan 8.240 nan 0.000 0.448 98 T N 3.844 118.227 114.554 -0.285 0.000 2.747 98 T HA 0.334 4.684 4.350 -0.000 0.000 0.301 98 T C 0.006 174.337 174.700 -0.614 0.000 0.952 98 T CA -0.508 61.249 62.100 -0.572 0.000 0.983 98 T CB -0.417 67.747 68.868 -1.175 0.000 0.930 98 T HN 0.872 nan 8.240 nan 0.000 0.494 99 C N 6.254 125.151 119.300 -0.672 0.000 2.239 99 C HA 0.762 5.222 4.460 -0.000 0.000 0.325 99 C C 0.303 174.997 174.990 -0.493 0.000 1.231 99 C CA -0.550 58.087 59.018 -0.635 0.000 1.652 99 C CB -1.468 25.601 27.740 -1.118 0.000 2.284 99 C HN 0.807 nan 8.230 nan 0.000 0.499 100 V N 7.197 126.889 119.914 -0.369 0.000 2.715 100 V HA 0.782 4.902 4.120 -0.000 0.000 0.310 100 V C -0.673 175.342 176.094 -0.132 0.000 1.054 100 V CA -0.332 61.810 62.300 -0.263 0.000 0.928 100 V CB 2.027 33.664 31.823 -0.309 0.000 1.007 100 V HN 0.628 nan 8.190 nan 0.000 0.437 101 V N 5.936 125.800 119.914 -0.083 0.000 2.364 101 V HA 0.255 4.375 4.120 -0.000 0.000 0.272 101 V C 1.353 177.456 176.094 0.015 0.000 1.036 101 V CA 0.289 62.566 62.300 -0.038 0.000 0.880 101 V CB 0.725 32.521 31.823 -0.045 0.000 0.991 101 V HN 1.126 nan 8.190 nan 0.000 0.460 102 Q N 2.933 122.757 119.800 0.040 0.000 2.112 102 Q HA -0.191 4.149 4.340 -0.000 0.000 0.206 102 Q C 2.169 178.193 176.000 0.039 0.000 0.987 102 Q CA 2.290 58.136 55.803 0.072 0.000 0.858 102 Q CB 0.058 28.835 28.738 0.066 0.000 0.905 102 Q HN 0.841 nan 8.270 nan 0.000 0.420 103 S N -0.051 115.660 115.700 0.019 0.000 2.374 103 S HA -0.188 4.282 4.470 -0.000 0.000 0.227 103 S C 1.707 176.311 174.600 0.006 0.000 1.037 103 S CA 1.172 59.377 58.200 0.009 0.000 1.024 103 S CB -0.288 62.914 63.200 0.003 0.000 0.861 103 S HN 0.577 nan 8.310 nan 0.000 0.456 104 A N 0.082 122.906 122.820 0.007 0.000 2.239 104 A HA 0.246 4.566 4.320 -0.000 0.000 0.209 104 A C 0.783 178.376 177.584 0.015 0.000 1.171 104 A CA 0.325 52.365 52.037 0.005 0.000 0.768 104 A CB -0.033 18.964 19.000 -0.005 0.000 0.790 104 A HN 0.341 nan 8.150 nan 0.000 0.478 105 V N 1.146 121.075 119.914 0.024 0.000 2.380 105 V HA 0.299 4.419 4.120 -0.000 0.000 0.268 105 V C -1.928 174.153 176.094 -0.021 0.000 1.008 105 V CA -1.540 60.773 62.300 0.022 0.000 0.823 105 V CB 1.645 33.519 31.823 0.085 0.000 1.053 105 V HN 0.241 nan 8.190 nan 0.000 0.446 106 P HA -0.143 nan 4.420 nan 0.000 0.221 106 P C 1.018 178.257 177.300 -0.102 0.000 1.145 106 P CA 1.112 64.177 63.100 -0.059 0.000 0.795 106 P CB 0.628 32.303 31.700 -0.042 0.000 0.775 107 E N 0.193 120.329 120.200 -0.107 0.000 2.160 107 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 107 E C 2.176 178.637 176.600 -0.233 0.000 0.991 107 E CA 0.964 57.271 56.400 -0.155 0.000 0.810 107 E CB -1.050 28.566 29.700 -0.139 0.000 0.742 107 E HN 0.309 nan 8.360 nan 0.000 0.466 108 L N -0.099 120.990 121.223 -0.223 0.000 1.994 108 L HA -0.180 4.159 4.340 -0.000 0.000 0.208 108 L C 2.460 179.180 176.870 -0.250 0.000 1.071 108 L CA 1.222 55.906 54.840 -0.261 0.000 0.745 108 L CB -0.764 41.183 42.059 -0.187 0.000 0.892 108 L HN 0.161 nan 8.230 nan 0.000 0.431 109 A N 0.009 122.719 122.820 -0.184 0.000 1.892 109 A HA -0.301 4.019 4.320 -0.000 0.000 0.218 109 A C 2.296 179.713 177.584 -0.278 0.000 1.188 109 A CA 2.149 54.080 52.037 -0.177 0.000 0.631 109 A CB -0.722 18.206 19.000 -0.118 0.000 0.822 109 A HN 0.510 nan 8.150 nan 0.000 0.447 110 E N -0.787 119.225 120.200 -0.312 0.000 2.070 110 E HA -0.234 4.115 4.350 -0.000 0.000 0.197 110 E C 1.913 178.042 176.600 -0.785 0.000 1.004 110 E CA 1.565 57.675 56.400 -0.484 0.000 0.805 110 E CB -0.204 29.293 29.700 -0.338 0.000 0.744 110 E HN 0.444 nan 8.360 nan 0.000 0.451 111 L N 0.906 121.771 121.223 -0.597 0.000 2.093 111 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 111 L C 2.688 179.113 176.870 -0.741 0.000 1.085 111 L CA 2.457 56.872 54.840 -0.710 0.000 0.755 111 L CB -0.930 40.702 42.059 -0.711 0.000 0.904 111 L HN 0.323 nan 8.230 nan 0.000 0.435 112 T N -3.531 110.726 114.554 -0.495 0.000 2.788 112 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 112 T C 1.991 176.615 174.700 -0.125 0.000 1.044 112 T CA 1.648 63.591 62.100 -0.262 0.000 1.139 112 T CB -1.087 67.706 68.868 -0.125 0.000 0.867 112 T HN 0.182 nan 8.240 nan 0.000 0.454 113 V N 0.260 120.045 119.914 -0.215 0.000 2.407 113 V HA -0.105 4.015 4.120 -0.000 0.000 0.248 113 V C 2.199 178.338 176.094 0.074 0.000 1.055 113 V CA 1.554 63.798 62.300 -0.094 0.000 1.049 113 V CB -0.855 30.877 31.823 -0.152 0.000 0.662 113 V HN 0.767 nan 8.190 nan 0.000 0.455 114 Y N -1.587 118.742 120.300 0.047 0.000 2.242 114 Y HA -0.139 4.411 4.550 -0.000 0.000 0.291 114 Y C 2.348 178.472 175.900 0.372 0.000 1.137 114 Y CA 1.172 59.372 58.100 0.167 0.000 1.181 114 Y CB -0.305 38.244 38.460 0.148 0.000 0.989 114 Y HN 0.283 nan 8.280 nan 0.000 0.527 115 F N -0.071 120.012 119.950 0.221 0.000 2.365 115 F HA -0.135 4.392 4.527 0.000 0.000 0.300 115 F C 1.968 177.839 175.800 0.118 0.000 1.090 115 F CA 0.622 58.718 58.000 0.161 0.000 1.408 115 F CB -0.966 38.077 39.000 0.071 0.000 1.060 115 F HN 0.069 nan 8.300 nan 0.000 0.534 116 L N -0.427 120.971 121.223 0.293 0.000 2.191 116 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 116 L C 1.521 178.489 176.870 0.164 0.000 1.103 116 L CA 1.313 56.263 54.840 0.184 0.000 0.769 116 L CB -0.658 41.484 42.059 0.138 0.000 0.908 116 L HN 0.198 nan 8.230 nan 0.000 0.438 117 N N -0.370 118.450 118.700 0.200 0.000 2.463 117 N HA -0.019 4.721 4.740 -0.000 0.000 0.181 117 N C 1.245 176.829 175.510 0.123 0.000 1.078 117 N CA 0.345 53.490 53.050 0.160 0.000 0.902 117 N CB 0.184 38.785 38.487 0.189 0.000 0.970 117 N HN 0.312 nan 8.380 nan 0.000 0.451 118 L N 0.505 121.806 121.223 0.130 0.000 2.653 118 L HA 0.305 4.645 4.340 -0.000 0.000 0.231 118 L C -0.073 176.802 176.870 0.008 0.000 1.153 118 L CA -0.153 54.717 54.840 0.049 0.000 0.933 118 L CB 0.373 42.451 42.059 0.032 0.000 1.175 118 L HN -0.014 nan 8.230 nan 0.000 0.473 119 V N -1.226 118.714 119.914 0.044 0.000 2.888 119 V HA 0.408 4.528 4.120 -0.000 0.000 0.309 119 V C -0.533 175.605 176.094 0.074 0.000 1.114 119 V CA -0.321 62.006 62.300 0.046 0.000 0.940 119 V CB 2.686 34.544 31.823 0.058 0.000 1.021 119 V HN 0.039 nan 8.190 nan 0.000 0.426 120 T N 3.731 118.339 114.554 0.090 0.000 2.909 120 T HA 0.382 4.732 4.350 -0.000 0.000 0.286 120 T C 1.015 175.799 174.700 0.140 0.000 1.002 120 T CA 0.210 62.373 62.100 0.105 0.000 1.074 120 T CB 1.550 70.472 68.868 0.090 0.000 0.984 120 T HN 0.569 nan 8.240 nan 0.000 0.495 121 V N 3.924 123.934 119.914 0.160 0.000 2.392 121 V HA -0.124 3.996 4.120 -0.000 0.000 0.249 121 V C 2.765 179.004 176.094 0.242 0.000 1.059 121 V CA 2.319 64.773 62.300 0.257 0.000 1.051 121 V CB -0.849 31.096 31.823 0.203 0.000 0.658 121 V HN 1.004 nan 8.190 nan 0.000 0.455 122 S N -0.395 115.401 115.700 0.160 0.000 2.353 122 S HA -0.329 4.141 4.470 -0.000 0.000 0.222 122 S C 2.118 176.789 174.600 0.118 0.000 1.035 122 S CA 2.341 60.620 58.200 0.131 0.000 1.025 122 S CB -0.445 62.816 63.200 0.102 0.000 0.902 122 S HN 0.830 nan 8.310 nan 0.000 0.440 123 H N 0.554 119.643 119.070 0.032 0.000 2.423 123 H HA 0.180 4.736 4.556 -0.000 0.000 0.297 123 H C 1.920 177.220 175.328 -0.046 0.000 1.075 123 H CA 1.660 57.704 56.048 -0.007 0.000 1.342 123 H CB -0.335 29.413 29.762 -0.023 0.000 1.395 123 H HN 0.372 nan 8.280 nan 0.000 0.530 124 L N -0.159 120.979 121.223 -0.142 0.000 2.093 124 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 124 L C 2.721 179.364 176.870 -0.378 0.000 1.085 124 L CA 1.301 55.919 54.840 -0.371 0.000 0.755 124 L CB -0.340 41.426 42.059 -0.487 0.000 0.904 124 L HN 0.276 nan 8.230 nan 0.000 0.435 125 R N 0.190 120.679 120.500 -0.018 0.000 2.189 125 R HA -0.150 4.190 4.340 -0.000 0.000 0.223 125 R C 1.973 178.288 176.300 0.024 0.000 1.092 125 R CA 1.033 57.241 56.100 0.179 0.000 0.989 125 R CB 0.060 30.545 30.300 0.308 0.000 0.876 125 R HN 0.500 nan 8.270 nan 0.000 0.457 126 Q N 0.118 119.865 119.800 -0.089 0.000 2.389 126 Q HA -0.017 4.323 4.340 -0.000 0.000 0.204 126 Q C 0.190 176.104 176.000 -0.144 0.000 0.944 126 Q CA -0.111 55.631 55.803 -0.101 0.000 0.908 126 Q CB -0.051 28.620 28.738 -0.112 0.000 1.002 126 Q HN 0.194 nan 8.270 nan 0.000 0.493 127 N N 2.814 121.378 118.700 -0.228 0.000 2.386 127 N HA -0.056 4.684 4.740 -0.000 0.000 0.273 127 N C -1.671 173.783 175.510 -0.093 0.000 1.331 127 N CA -0.647 52.282 53.050 -0.202 0.000 0.891 127 N CB 0.980 39.302 38.487 -0.276 0.000 1.139 127 N HN 0.053 nan 8.380 nan 0.000 0.487 128 P HA -0.114 nan 4.420 nan 0.000 0.220 128 P C 1.202 178.511 177.300 0.014 0.000 1.148 128 P CA 1.102 64.196 63.100 -0.010 0.000 0.803 128 P CB 0.253 31.948 31.700 -0.007 0.000 0.782 129 T N -0.367 114.190 114.554 0.005 0.000 2.894 129 T HA -0.042 4.308 4.350 -0.000 0.000 0.258 129 T C 1.810 176.564 174.700 0.091 0.000 1.043 129 T CA 1.471 63.598 62.100 0.045 0.000 1.141 129 T CB -0.871 68.021 68.868 0.039 0.000 0.873 129 T HN -0.060 nan 8.240 nan 0.000 0.449 130 V N -0.489 119.452 119.914 0.045 0.000 2.667 130 V HA 0.162 4.282 4.120 -0.000 0.000 0.252 130 V C 2.400 178.626 176.094 0.221 0.000 1.065 130 V CA 1.810 64.188 62.300 0.131 0.000 1.083 130 V CB -0.845 30.932 31.823 -0.078 0.000 0.692 130 V HN 0.368 nan 8.190 nan 0.000 0.468 131 K N 0.676 121.152 120.400 0.127 0.000 2.097 131 K HA 0.055 4.375 4.320 -0.000 0.000 0.205 131 K C 2.240 178.920 176.600 0.133 0.000 1.050 131 K CA 1.389 57.757 56.287 0.136 0.000 0.938 131 K CB -0.374 32.173 32.500 0.079 0.000 0.718 131 K HN 0.585 nan 8.250 nan 0.000 0.442 132 A N 1.007 123.894 122.820 0.113 0.000 1.929 132 A HA -0.125 4.194 4.320 -0.000 0.000 0.216 132 A C 1.721 179.373 177.584 0.112 0.000 1.176 132 A CA 1.251 53.344 52.037 0.093 0.000 0.628 132 A CB -0.279 18.765 19.000 0.073 0.000 0.816 132 A HN 0.361 nan 8.150 nan 0.000 0.444 133 E N -0.239 120.073 120.200 0.187 0.000 2.106 133 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 133 E C 1.761 178.430 176.600 0.114 0.000 0.984 133 E CA 1.055 57.582 56.400 0.212 0.000 0.806 133 E CB -0.240 29.733 29.700 0.455 0.000 0.750 133 E HN 0.677 nan 8.360 nan 0.000 0.458 134 I N 1.071 121.764 120.570 0.205 0.000 2.315 134 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 134 I C 2.475 178.601 176.117 0.014 0.000 1.117 134 I CA 0.709 62.091 61.300 0.138 0.000 1.404 134 I CB -0.226 37.964 38.000 0.317 0.000 1.071 134 I HN 0.093 nan 8.210 nan 0.000 0.419 135 A N 1.337 124.187 122.820 0.049 0.000 1.845 135 A HA -0.293 4.027 4.320 -0.000 0.000 0.215 135 A C 2.202 179.765 177.584 -0.036 0.000 1.195 135 A CA 2.096 54.144 52.037 0.018 0.000 0.616 135 A CB -0.897 18.125 19.000 0.036 0.000 0.832 135 A HN 0.558 nan 8.150 nan 0.000 0.443 136 Q N -0.576 119.202 119.800 -0.036 0.000 2.226 136 Q HA -0.118 4.222 4.340 -0.000 0.000 0.204 136 Q C 1.515 177.425 176.000 -0.149 0.000 0.975 136 Q CA 2.122 57.887 55.803 -0.064 0.000 0.866 136 Q CB -0.350 28.371 28.738 -0.029 0.000 0.915 136 Q HN 0.442 nan 8.270 nan 0.000 0.440 137 K N 0.127 120.367 120.400 -0.267 0.000 2.366 137 K HA 0.170 4.489 4.320 -0.000 0.000 0.198 137 K C 0.982 177.304 176.600 -0.464 0.000 1.044 137 K CA 0.848 56.818 56.287 -0.528 0.000 0.973 137 K CB -0.253 31.566 32.500 -1.135 0.000 0.767 137 K HN 0.492 nan 8.250 nan 0.000 0.475 138 G N 0.046 108.690 108.800 -0.260 0.000 2.179 138 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.257 138 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.257 138 G C 0.495 175.364 174.900 -0.052 0.000 1.010 138 G CA 0.633 45.658 45.100 -0.124 0.000 0.736 138 G HN 0.199 nan 8.290 nan 0.000 0.513 139 Y N 0.083 120.358 120.300 -0.041 0.000 2.145 139 Y HA 0.202 4.752 4.550 -0.000 0.000 0.286 139 Y C 2.686 178.578 175.900 -0.013 0.000 1.145 139 Y CA 2.089 60.167 58.100 -0.037 0.000 1.148 139 Y CB -0.762 37.668 38.460 -0.050 0.000 0.981 139 Y HN 1.273 nan 8.280 nan 0.000 0.507 140 G N -0.402 108.499 108.800 0.167 0.000 2.742 140 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.255 140 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.255 140 G C 0.964 175.917 174.900 0.088 0.000 1.322 140 G CA 0.303 45.460 45.100 0.096 0.000 0.967 140 G HN 0.321 nan 8.290 nan 0.000 0.556 141 E N 0.653 120.883 120.200 0.050 0.000 2.473 141 E HA 0.169 4.519 4.350 -0.000 0.000 0.204 141 E C 1.619 178.207 176.600 -0.020 0.000 0.994 141 E CA -0.334 56.072 56.400 0.011 0.000 0.945 141 E CB 0.384 30.078 29.700 -0.008 0.000 0.990 141 E HN 0.344 nan 8.360 nan 0.000 0.493 142 R N 1.668 122.171 120.500 0.004 0.000 4.054 142 R HA 0.086 4.426 4.340 -0.000 0.000 0.227 142 R C -0.479 175.732 176.300 -0.148 0.000 1.902 142 R CA -0.024 56.054 56.100 -0.038 0.000 1.590 142 R CB -0.208 30.097 30.300 0.009 0.000 1.245 142 R HN -0.078 nan 8.270 nan 0.000 0.647 143 V N 3.651 123.469 119.914 -0.160 0.000 2.455 143 V HA 0.125 4.245 4.120 -0.000 0.000 0.273 143 V C -1.448 174.505 176.094 -0.234 0.000 1.045 143 V CA -1.714 60.407 62.300 -0.298 0.000 0.976 143 V CB 0.958 32.779 31.823 -0.003 0.000 0.993 143 V HN 0.287 nan 8.190 nan 0.000 0.475 144 P HA 0.109 nan 4.420 nan 0.000 0.267 144 P C 0.724 178.022 177.300 -0.003 0.000 1.209 144 P CA 0.053 63.043 63.100 -0.185 0.000 0.763 144 P CB 1.213 32.780 31.700 -0.222 0.000 0.816 145 A N 5.002 127.807 122.820 -0.025 0.000 1.896 145 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 145 A C 2.368 180.049 177.584 0.163 0.000 1.206 145 A CA 2.473 54.551 52.037 0.068 0.000 0.647 145 A CB -1.873 17.134 19.000 0.012 0.000 0.828 145 A HN 0.625 nan 8.150 nan 0.000 0.455 146 G N -1.700 107.159 108.800 0.098 0.000 2.476 146 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.218 146 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.218 146 G C 1.491 176.539 174.900 0.247 0.000 1.164 146 G CA 1.269 46.451 45.100 0.137 0.000 0.768 146 G HN 0.535 nan 8.290 nan 0.000 0.560 147 F N 0.363 120.416 119.950 0.172 0.000 2.186 147 F HA 0.076 4.603 4.527 -0.000 0.000 0.299 147 F C 2.165 178.174 175.800 0.347 0.000 1.090 147 F CA 1.302 59.480 58.000 0.297 0.000 1.307 147 F CB -0.233 38.924 39.000 0.262 0.000 1.019 147 F HN 0.153 nan 8.300 nan 0.000 0.489 148 F N 0.447 120.577 119.950 0.300 0.000 2.171 148 F HA -0.142 4.385 4.527 -0.000 0.000 0.300 148 F C 1.912 177.709 175.800 -0.005 0.000 1.090 148 F CA 1.636 59.730 58.000 0.156 0.000 1.293 148 F CB -0.193 38.877 39.000 0.116 0.000 1.013 148 F HN -0.123 nan 8.300 nan 0.000 0.486 149 V N -1.127 118.797 119.914 0.016 0.000 3.342 149 V HA 0.049 4.169 4.120 -0.000 0.000 0.322 149 V C 1.471 177.497 176.094 -0.112 0.000 1.370 149 V CA 0.200 62.431 62.300 -0.115 0.000 1.170 149 V CB -1.861 29.989 31.823 0.046 0.000 1.101 149 V HN 0.567 nan 8.190 nan 0.000 0.442 150 Y N 0.683 120.881 120.300 -0.171 0.000 2.403 150 Y HA 0.177 4.727 4.550 -0.000 0.000 0.291 150 Y C -0.633 175.186 175.900 -0.135 0.000 1.143 150 Y CA 0.915 58.919 58.100 -0.160 0.000 1.257 150 Y CB -1.649 36.656 38.460 -0.258 0.000 0.984 150 Y HN 0.354 nan 8.280 nan 0.000 0.550 151 P HA -0.175 nan 4.420 nan 0.000 0.223 151 P C 2.015 179.232 177.300 -0.139 0.000 1.151 151 P CA 1.887 64.707 63.100 -0.466 0.000 0.787 151 P CB -0.049 31.330 31.700 -0.536 0.000 0.788 152 V N -1.775 118.087 119.914 -0.087 0.000 2.488 152 V HA -0.155 3.965 4.120 -0.000 0.000 0.246 152 V C 2.289 178.451 176.094 0.114 0.000 1.046 152 V CA 2.197 64.528 62.300 0.051 0.000 1.053 152 V CB -1.700 30.171 31.823 0.081 0.000 0.679 152 V HN 0.181 nan 8.190 nan 0.000 0.458 153 S N -0.568 115.172 115.700 0.067 0.000 2.419 153 S HA -0.274 4.196 4.470 -0.000 0.000 0.233 153 S C 2.068 176.708 174.600 0.068 0.000 1.016 153 S CA 1.819 60.050 58.200 0.050 0.000 0.974 153 S CB -0.643 62.592 63.200 0.058 0.000 0.786 153 S HN 0.757 nan 8.310 nan 0.000 0.492 154 Q N 0.479 120.340 119.800 0.101 0.000 2.123 154 Q HA 0.131 4.471 4.340 -0.000 0.000 0.199 154 Q C 2.585 178.647 176.000 0.103 0.000 0.966 154 Q CA 1.087 56.956 55.803 0.110 0.000 0.845 154 Q CB -0.440 28.376 28.738 0.130 0.000 0.907 154 Q HN 0.782 nan 8.270 nan 0.000 0.439 155 A N 0.987 123.881 122.820 0.122 0.000 1.908 155 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 155 A C 2.250 180.010 177.584 0.293 0.000 1.181 155 A CA 1.697 53.841 52.037 0.179 0.000 0.627 155 A CB -0.786 18.319 19.000 0.175 0.000 0.818 155 A HN 0.431 nan 8.150 nan 0.000 0.445 156 A N 0.074 123.026 122.820 0.221 0.000 1.908 156 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 156 A C 1.784 179.285 177.584 -0.138 0.000 1.181 156 A CA 1.935 53.902 52.037 -0.116 0.000 0.627 156 A CB -0.624 18.197 19.000 -0.298 0.000 0.818 156 A HN 0.492 nan 8.150 nan 0.000 0.445 157 D N 0.333 120.702 120.400 -0.052 0.000 2.087 157 D HA -0.162 4.478 4.640 -0.000 0.000 0.192 157 D C 2.001 178.309 176.300 0.013 0.000 0.993 157 D CA 1.402 55.379 54.000 -0.038 0.000 0.828 157 D CB -0.412 40.464 40.800 0.127 0.000 0.968 157 D HN 0.342 nan 8.370 nan 0.000 0.448 158 I N 1.502 122.124 120.570 0.086 0.000 2.091 158 I HA -0.274 3.896 4.170 -0.000 0.000 0.239 158 I C 2.582 178.724 176.117 0.041 0.000 1.061 158 I CA 1.206 62.562 61.300 0.092 0.000 1.317 158 I CB -1.567 36.478 38.000 0.075 0.000 1.031 158 I HN -0.086 nan 8.210 nan 0.000 0.401 159 A N 0.756 123.597 122.820 0.035 0.000 1.902 159 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 159 A C 2.563 180.092 177.584 -0.092 0.000 1.181 159 A CA 2.240 54.283 52.037 0.010 0.000 0.623 159 A CB -0.840 18.247 19.000 0.146 0.000 0.818 159 A HN 0.473 nan 8.150 nan 0.000 0.443 160 A N -1.183 121.506 122.820 -0.219 0.000 1.898 160 A HA 0.017 4.337 4.320 -0.000 0.000 0.216 160 A C 1.891 179.294 177.584 -0.302 0.000 1.181 160 A CA 1.291 53.118 52.037 -0.350 0.000 0.620 160 A CB -0.721 17.935 19.000 -0.572 0.000 0.819 160 A HN 0.524 nan 8.150 nan 0.000 0.442 161 F N -0.117 119.812 119.950 -0.035 0.000 2.802 161 F HA 0.253 4.780 4.527 -0.000 0.000 0.300 161 F C 1.777 177.484 175.800 -0.155 0.000 1.168 161 F CA 0.472 58.439 58.000 -0.056 0.000 1.433 161 F CB -0.027 38.965 39.000 -0.014 0.000 1.115 161 F HN 0.374 nan 8.300 nan 0.000 0.582 162 G N 1.484 110.284 108.800 0.001 0.000 2.323 162 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.292 162 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.292 162 G C 0.120 174.978 174.900 -0.070 0.000 1.040 162 G CA -0.033 45.044 45.100 -0.038 0.000 0.942 162 G HN 0.612 nan 8.290 nan 0.000 0.506 163 A N -0.327 122.465 122.820 -0.048 0.000 2.354 163 A HA 0.781 5.100 4.320 -0.000 0.000 0.269 163 A C 1.414 178.971 177.584 -0.044 0.000 1.109 163 A CA 0.928 52.921 52.037 -0.073 0.000 0.800 163 A CB 0.578 19.559 19.000 -0.032 0.000 1.045 163 A HN 1.459 nan 8.150 nan 0.000 0.489 164 T N -0.066 114.458 114.554 -0.051 0.000 3.010 164 T HA 0.391 4.741 4.350 -0.000 0.000 0.257 164 T C 0.154 174.839 174.700 -0.024 0.000 1.020 164 T CA 0.071 62.152 62.100 -0.032 0.000 0.938 164 T CB -0.126 68.723 68.868 -0.032 0.000 1.049 164 T HN 0.385 nan 8.240 nan 0.000 0.522 165 L N 2.590 123.797 121.223 -0.027 0.000 2.439 165 L HA 0.656 4.996 4.340 -0.000 0.000 0.270 165 L C -1.433 175.431 176.870 -0.010 0.000 0.972 165 L CA -1.234 53.596 54.840 -0.017 0.000 0.836 165 L CB 2.405 44.453 42.059 -0.019 0.000 1.255 165 L HN 0.192 nan 8.230 nan 0.000 0.404 166 V N 2.368 122.281 119.914 -0.000 0.000 2.409 166 V HA 0.579 4.699 4.120 -0.000 0.000 0.290 166 V C -2.674 173.426 176.094 0.009 0.000 1.017 166 V CA -2.325 59.981 62.300 0.009 0.000 0.841 166 V CB 1.366 33.201 31.823 0.019 0.000 1.003 166 V HN 0.534 nan 8.190 nan 0.000 0.426 167 P HA 0.318 nan 4.420 nan 0.000 0.267 167 P C -0.605 176.704 177.300 0.015 0.000 1.209 167 P CA 0.382 63.487 63.100 0.007 0.000 0.763 167 P CB 1.209 32.910 31.700 0.003 0.000 0.816 168 V N 3.553 123.475 119.914 0.013 0.000 2.932 168 V HA 0.732 4.852 4.120 -0.000 0.000 0.307 168 V C 0.021 176.124 176.094 0.015 0.000 1.147 168 V CA -0.517 61.794 62.300 0.018 0.000 0.951 168 V CB 2.459 34.293 31.823 0.017 0.000 1.031 168 V HN 0.644 nan 8.190 nan 0.000 0.426 169 G N 2.127 110.939 108.800 0.020 0.000 2.437 169 G HA2 0.414 4.374 3.960 -0.000 0.000 0.319 169 G HA3 0.414 4.374 3.960 -0.000 0.000 0.319 169 G C 0.564 175.474 174.900 0.017 0.000 1.158 169 G CA 0.232 45.342 45.100 0.017 0.000 0.899 169 G HN 0.873 nan 8.290 nan 0.000 0.502 170 D N 0.184 120.593 120.400 0.014 0.000 2.354 170 D HA -0.140 4.500 4.640 -0.000 0.000 0.216 170 D C 0.894 177.205 176.300 0.018 0.000 0.970 170 D CA 0.772 54.780 54.000 0.013 0.000 0.905 170 D CB 0.087 40.893 40.800 0.011 0.000 0.903 170 D HN 0.329 nan 8.370 nan 0.000 0.508 171 D N 0.143 120.557 120.400 0.024 0.000 2.277 171 D HA -0.066 4.574 4.640 -0.000 0.000 0.208 171 D C 1.244 177.566 176.300 0.036 0.000 0.962 171 D CA 0.691 54.710 54.000 0.032 0.000 0.865 171 D CB 0.220 41.044 40.800 0.041 0.000 0.939 171 D HN 0.294 nan 8.370 nan 0.000 0.510 172 Q N -0.243 119.578 119.800 0.035 0.000 2.282 172 Q HA 0.224 4.564 4.340 -0.000 0.000 0.206 172 Q C 2.040 178.052 176.000 0.020 0.000 0.878 172 Q CA -0.130 55.695 55.803 0.037 0.000 0.944 172 Q CB 0.384 29.151 28.738 0.049 0.000 1.100 172 Q HN 0.203 nan 8.270 nan 0.000 0.509 173 L N 1.542 122.773 121.223 0.013 0.000 2.042 173 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 173 L C -0.609 176.260 176.870 -0.002 0.000 1.076 173 L CA 1.294 56.138 54.840 0.007 0.000 0.749 173 L CB -1.183 40.879 42.059 0.006 0.000 0.893 173 L HN 0.229 nan 8.230 nan 0.000 0.432 174 P HA -0.211 nan 4.420 nan 0.000 0.223 174 P C 1.715 178.990 177.300 -0.042 0.000 1.151 174 P CA 1.280 64.364 63.100 -0.025 0.000 0.787 174 P CB -0.099 31.576 31.700 -0.042 0.000 0.788 175 M N -0.043 119.533 119.600 -0.040 0.000 2.099 175 M HA -0.084 4.396 4.480 -0.000 0.000 0.262 175 M C 1.977 178.264 176.300 -0.022 0.000 1.067 175 M CA 1.422 56.690 55.300 -0.052 0.000 1.124 175 M CB -1.566 31.023 32.600 -0.018 0.000 1.353 175 M HN -0.110 nan 8.290 nan 0.000 0.410 176 L N 0.632 121.853 121.223 -0.003 0.000 1.989 176 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 176 L C 2.174 179.041 176.870 -0.006 0.000 1.071 176 L CA 2.557 57.398 54.840 0.002 0.000 0.749 176 L CB -1.109 40.954 42.059 0.007 0.000 0.890 176 L HN 0.386 nan 8.230 nan 0.000 0.431 177 E N 0.026 120.224 120.200 -0.004 0.000 2.085 177 E HA -0.322 4.028 4.350 -0.000 0.000 0.194 177 E C 2.235 178.832 176.600 -0.004 0.000 0.994 177 E CA 1.962 58.360 56.400 -0.003 0.000 0.801 177 E CB -0.254 29.450 29.700 0.007 0.000 0.743 177 E HN 0.576 nan 8.360 nan 0.000 0.453 178 Q N -0.711 119.093 119.800 0.007 0.000 2.124 178 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 178 Q C 1.927 177.903 176.000 -0.040 0.000 0.977 178 Q CA 2.174 57.987 55.803 0.017 0.000 0.850 178 Q CB -0.199 28.552 28.738 0.021 0.000 0.901 178 Q HN 0.327 nan 8.270 nan 0.000 0.429 179 T N 0.819 115.350 114.554 -0.038 0.000 2.720 179 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 179 T C 1.663 176.316 174.700 -0.079 0.000 1.037 179 T CA 1.273 63.341 62.100 -0.053 0.000 1.144 179 T CB -0.119 68.743 68.868 -0.010 0.000 0.864 179 T HN 0.294 nan 8.240 nan 0.000 0.444 180 R N 1.201 121.670 120.500 -0.052 0.000 2.081 180 R HA -0.033 4.307 4.340 -0.000 0.000 0.235 180 R C 2.373 178.629 176.300 -0.074 0.000 1.131 180 R CA 1.219 57.288 56.100 -0.053 0.000 0.960 180 R CB -0.471 29.809 30.300 -0.034 0.000 0.856 180 R HN 0.592 nan 8.270 nan 0.000 0.436 181 E N 0.469 120.620 120.200 -0.083 0.000 2.072 181 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 181 E C 2.180 178.697 176.600 -0.138 0.000 0.985 181 E CA 0.803 57.138 56.400 -0.107 0.000 0.801 181 E CB -0.110 29.512 29.700 -0.130 0.000 0.750 181 E HN 0.287 nan 8.360 nan 0.000 0.452 182 I N 0.681 121.143 120.570 -0.180 0.000 2.142 182 I HA -0.279 3.891 4.170 -0.000 0.000 0.240 182 I C 2.445 178.393 176.117 -0.283 0.000 1.078 182 I CA 0.899 62.023 61.300 -0.294 0.000 1.343 182 I CB -0.332 37.378 38.000 -0.483 0.000 1.046 182 I HN -0.018 nan 8.210 nan 0.000 0.405 183 V N 0.757 120.523 119.914 -0.246 0.000 2.282 183 V HA -0.341 3.779 4.120 -0.000 0.000 0.249 183 V C 2.642 178.731 176.094 -0.008 0.000 1.057 183 V CA 2.039 64.268 62.300 -0.118 0.000 1.032 183 V CB -0.809 30.969 31.823 -0.074 0.000 0.645 183 V HN 0.402 nan 8.190 nan 0.000 0.447 184 R N -0.322 120.150 120.500 -0.045 0.000 2.091 184 R HA -0.228 4.112 4.340 -0.000 0.000 0.238 184 R C 2.492 178.765 176.300 -0.045 0.000 1.136 184 R CA 2.012 58.092 56.100 -0.034 0.000 0.959 184 R CB -0.205 30.062 30.300 -0.055 0.000 0.856 184 R HN 0.352 nan 8.270 nan 0.000 0.437 185 R N -0.251 120.205 120.500 -0.074 0.000 2.092 185 R HA -0.124 4.216 4.340 -0.000 0.000 0.231 185 R C 1.892 178.123 176.300 -0.116 0.000 1.119 185 R CA 1.470 57.506 56.100 -0.107 0.000 0.970 185 R CB -0.688 29.540 30.300 -0.120 0.000 0.864 185 R HN 0.247 nan 8.270 nan 0.000 0.440 186 F N 0.862 120.715 119.950 -0.161 0.000 2.163 186 F HA -0.057 4.470 4.527 -0.000 0.000 0.297 186 F C 1.504 177.283 175.800 -0.035 0.000 1.094 186 F CA 1.478 59.439 58.000 -0.066 0.000 1.290 186 F CB -0.230 38.812 39.000 0.070 0.000 1.017 186 F HN 0.079 nan 8.300 nan 0.000 0.483 187 N N 0.838 119.674 118.700 0.226 0.000 2.142 187 N HA -0.103 4.637 4.740 -0.000 0.000 0.186 187 N C 1.989 177.474 175.510 -0.043 0.000 1.023 187 N CA 1.469 54.606 53.050 0.145 0.000 0.852 187 N CB -0.885 37.683 38.487 0.136 0.000 0.998 187 N HN 0.391 nan 8.380 nan 0.000 0.424 188 A N 0.318 123.082 122.820 -0.093 0.000 2.015 188 A HA -0.015 4.305 4.320 -0.000 0.000 0.219 188 A C 2.131 179.582 177.584 -0.221 0.000 1.163 188 A CA 0.810 52.770 52.037 -0.127 0.000 0.646 188 A CB -0.335 18.598 19.000 -0.111 0.000 0.806 188 A HN 0.148 nan 8.150 nan 0.000 0.448 189 L N -2.415 118.566 121.223 -0.404 0.000 2.249 189 L HA 0.128 4.468 4.340 -0.000 0.000 0.207 189 L C 1.771 178.239 176.870 -0.670 0.000 1.090 189 L CA 1.529 55.990 54.840 -0.630 0.000 0.802 189 L CB -0.410 41.052 42.059 -0.995 0.000 0.947 189 L HN 0.566 nan 8.230 nan 0.000 0.453 190 Y N -1.810 118.287 120.300 -0.338 0.000 2.893 190 Y HA 0.663 5.213 4.550 0.000 0.000 0.195 190 Y C 0.650 176.443 175.900 -0.178 0.000 0.964 190 Y CA -0.431 57.471 58.100 -0.330 0.000 1.596 190 Y CB -0.189 37.891 38.460 -0.633 0.000 1.247 190 Y HN -0.147 nan 8.280 nan 0.000 0.464 191 A N 0.525 123.376 122.820 0.052 0.000 2.574 191 A HA 0.436 4.756 4.320 -0.000 0.000 0.297 191 A C -2.875 174.800 177.584 0.151 0.000 1.062 191 A CA -1.533 50.552 52.037 0.081 0.000 0.686 191 A CB 0.835 19.891 19.000 0.092 0.000 1.285 191 A HN 0.130 nan 8.150 nan 0.000 0.403 192 P HA 0.108 nan 4.420 nan 0.000 0.238 192 P C 0.126 177.503 177.300 0.128 0.000 1.729 192 P CA 0.496 63.666 63.100 0.116 0.000 1.055 192 P CB 0.249 31.985 31.700 0.060 0.000 1.980 193 V N 1.937 121.972 119.914 0.202 0.000 3.661 193 V HA 0.113 4.233 4.120 -0.000 0.000 0.271 193 V C 1.110 177.261 176.094 0.095 0.000 1.315 193 V CA 0.444 62.837 62.300 0.155 0.000 1.072 193 V CB 0.113 32.061 31.823 0.210 0.000 0.830 193 V HN 0.279 nan 8.190 nan 0.000 0.443 194 L N 0.680 121.960 121.223 0.095 0.000 2.322 194 L HA 0.720 5.060 4.340 -0.000 0.000 0.279 194 L C 0.318 177.200 176.870 0.021 0.000 1.036 194 L CA -0.456 54.393 54.840 0.015 0.000 0.807 194 L CB 1.513 43.546 42.059 -0.042 0.000 1.226 194 L HN 0.120 nan 8.230 nan 0.000 0.433 195 A N 2.189 125.010 122.820 0.002 0.000 2.388 195 A HA 0.228 4.548 4.320 -0.000 0.000 0.257 195 A C -0.026 177.556 177.584 -0.004 0.000 1.095 195 A CA -0.320 51.717 52.037 -0.000 0.000 0.791 195 A CB 0.387 19.381 19.000 -0.010 0.000 1.029 195 A HN 0.789 nan 8.150 nan 0.000 0.489 196 E N 3.559 123.757 120.200 -0.004 0.000 2.194 196 E HA 0.313 4.663 4.350 -0.000 0.000 0.284 196 E C -2.232 174.362 176.600 -0.011 0.000 1.035 196 E CA -1.798 54.597 56.400 -0.010 0.000 0.836 196 E CB 0.685 30.379 29.700 -0.010 0.000 1.070 196 E HN 0.476 nan 8.360 nan 0.000 0.401 197 P HA 0.075 nan 4.420 nan 0.000 0.277 197 P C -1.178 176.118 177.300 -0.008 0.000 1.240 197 P CA -0.206 62.889 63.100 -0.008 0.000 0.798 197 P CB 1.003 32.703 31.700 -0.001 0.000 0.979 198 Q N 0.319 120.115 119.800 -0.007 0.000 2.345 198 Q HA 0.670 5.010 4.340 -0.000 0.000 0.268 198 Q C -0.477 175.521 176.000 -0.003 0.000 1.054 198 Q CA -1.066 54.733 55.803 -0.006 0.000 0.835 198 Q CB 2.257 30.990 28.738 -0.007 0.000 1.339 198 Q HN 0.513 nan 8.270 nan 0.000 0.447 199 A N 1.731 124.550 122.820 -0.002 0.000 2.322 199 A HA 0.202 4.522 4.320 -0.000 0.000 0.269 199 A C -0.442 177.142 177.584 -0.000 0.000 1.094 199 A CA -0.269 51.769 52.037 0.001 0.000 0.807 199 A CB 0.720 19.721 19.000 0.002 0.000 1.047 199 A HN 0.643 nan 8.150 nan 0.000 0.487 200 Q N 2.717 122.517 119.800 0.001 0.000 2.571 200 Q HA 0.286 4.626 4.340 -0.000 0.000 0.243 200 Q C -1.220 174.781 176.000 0.001 0.000 1.055 200 Q CA -0.300 55.502 55.803 -0.001 0.000 0.815 200 Q CB 0.566 29.303 28.738 -0.002 0.000 1.151 200 Q HN 0.813 nan 8.270 nan 0.000 0.519 201 L N 3.042 124.265 121.223 0.000 0.000 2.559 201 L HA -0.059 4.281 4.340 -0.000 0.000 0.282 201 L C 0.564 177.434 176.870 -0.000 0.000 1.232 201 L CA 1.108 55.948 54.840 0.001 0.000 0.885 201 L CB 0.303 42.362 42.059 0.001 0.000 1.131 201 L HN 1.030 nan 8.230 nan 0.000 0.498 202 S N 2.764 118.465 115.700 0.001 0.000 3.117 202 S HA -0.306 4.164 4.470 -0.000 0.000 0.639 202 S C 0.200 174.797 174.600 -0.005 0.000 2.869 202 S CA 1.100 59.300 58.200 -0.001 0.000 3.055 202 S CB -0.152 63.047 63.200 -0.002 0.000 0.329 202 S HN 1.179 nan 8.310 nan 0.000 1.794 203 R N -0.677 119.817 120.500 -0.010 0.000 2.534 203 R HA 0.640 4.980 4.340 -0.000 0.000 0.438 203 R C 0.825 177.107 176.300 -0.031 0.000 0.913 203 R CA 0.571 56.659 56.100 -0.020 0.000 1.130 203 R CB -1.101 29.188 30.300 -0.018 0.000 1.611 203 R HN 2.358 nan 8.270 nan 0.000 0.571 204 V N -1.609 118.291 119.914 -0.023 0.000 3.670 204 V HA -0.163 3.957 4.120 -0.000 0.000 0.524 204 V C -2.202 173.877 176.094 -0.025 0.000 0.682 204 V CA -0.856 61.429 62.300 -0.024 0.000 2.081 204 V CB -1.156 30.645 31.823 -0.036 0.000 2.492 204 V HN 0.564 nan 8.190 nan 0.000 0.515 205 P HA -0.048 nan 4.420 nan 0.000 0.273 205 P C 0.055 177.345 177.300 -0.016 0.000 1.177 205 P CA 0.624 63.719 63.100 -0.008 0.000 0.765 205 P CB 0.243 31.943 31.700 0.001 0.000 0.780 206 R N 2.938 123.436 120.500 -0.003 0.000 2.390 206 R HA 0.244 4.584 4.340 -0.000 0.000 0.291 206 R C -0.455 175.848 176.300 0.004 0.000 1.070 206 R CA -0.749 55.348 56.100 -0.005 0.000 1.014 206 R CB 0.104 30.407 30.300 0.006 0.000 1.007 206 R HN 0.305 nan 8.270 nan 0.000 0.466 207 L N 7.323 128.537 121.223 -0.015 0.000 2.534 207 L HA 0.149 4.489 4.340 -0.000 0.000 0.271 207 L C -1.921 174.993 176.870 0.074 0.000 1.178 207 L CA -0.950 53.888 54.840 -0.003 0.000 0.907 207 L CB 0.386 42.383 42.059 -0.102 0.000 1.164 207 L HN 0.678 nan 8.230 nan 0.000 0.482 208 P HA 0.200 nan 4.420 nan 0.000 0.274 208 P C -0.211 177.239 177.300 0.250 0.000 1.256 208 P CA -0.484 62.719 63.100 0.173 0.000 0.795 208 P CB 0.646 32.446 31.700 0.167 0.000 1.038 209 G N 0.456 109.331 108.800 0.124 0.000 2.616 209 G HA2 0.190 4.150 3.960 -0.000 0.000 0.268 209 G HA3 0.190 4.150 3.960 -0.000 0.000 0.268 209 G C 0.965 175.924 174.900 0.099 0.000 1.213 209 G CA -0.561 44.602 45.100 0.106 0.000 0.926 209 G HN 0.362 nan 8.290 nan 0.000 0.523 210 L N 0.125 121.393 121.223 0.075 0.000 2.079 210 L HA -0.063 4.277 4.340 -0.000 0.000 0.210 210 L C 2.138 178.994 176.870 -0.023 0.000 1.081 210 L CA 1.567 56.398 54.840 -0.014 0.000 0.752 210 L CB -0.528 41.539 42.059 0.014 0.000 0.896 210 L HN 0.628 nan 8.230 nan 0.000 0.433 211 D N -1.080 119.308 120.400 -0.019 0.000 2.325 211 D HA 0.072 4.712 4.640 -0.000 0.000 0.234 211 D C 1.371 177.540 176.300 -0.218 0.000 1.122 211 D CA 0.684 54.660 54.000 -0.039 0.000 0.850 211 D CB 0.193 40.954 40.800 -0.065 0.000 0.921 211 D HN 0.445 nan 8.370 nan 0.000 0.513 212 G N 1.142 109.873 108.800 -0.115 0.000 2.205 212 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.261 212 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.261 212 G C 0.428 175.243 174.900 -0.140 0.000 0.980 212 G CA 0.026 45.038 45.100 -0.148 0.000 0.632 212 G HN 0.445 nan 8.290 nan 0.000 0.533 213 Q N -0.144 119.580 119.800 -0.128 0.000 2.395 213 Q HA 0.480 4.820 4.340 -0.000 0.000 0.271 213 Q C 1.948 177.932 176.000 -0.027 0.000 1.026 213 Q CA 0.189 55.942 55.803 -0.084 0.000 0.900 213 Q CB 0.733 29.430 28.738 -0.069 0.000 1.266 213 Q HN 0.671 nan 8.270 nan 0.000 0.430 214 A N 3.536 126.345 122.820 -0.019 0.000 1.940 214 A HA -0.222 4.098 4.320 -0.000 0.000 0.221 214 A C 0.901 178.494 177.584 0.015 0.000 1.190 214 A CA 1.721 53.761 52.037 0.005 0.000 0.647 214 A CB -0.095 18.907 19.000 0.003 0.000 0.821 214 A HN 0.618 nan 8.150 nan 0.000 0.457 215 K N -0.601 119.803 120.400 0.005 0.000 2.244 215 K HA 0.544 4.864 4.320 -0.000 0.000 0.260 215 K C -0.671 175.923 176.600 -0.010 0.000 0.951 215 K CA -0.660 55.631 56.287 0.006 0.000 0.826 215 K CB 1.005 33.511 32.500 0.010 0.000 1.108 215 K HN 0.347 nan 8.250 nan 0.000 0.433 216 M N 3.451 123.031 119.600 -0.032 0.000 2.108 216 M HA 0.234 4.714 4.480 -0.000 0.000 0.354 216 M C -1.203 174.985 176.300 -0.187 0.000 1.229 216 M CA 0.264 55.487 55.300 -0.127 0.000 1.081 216 M CB 1.143 33.620 32.600 -0.206 0.000 1.606 216 M HN 0.584 nan 8.290 nan 0.000 0.467 217 S N 3.350 118.960 115.700 -0.151 0.000 2.537 217 S HA 0.271 4.741 4.470 -0.000 0.000 0.271 217 S C 0.155 174.742 174.600 -0.022 0.000 1.148 217 S CA -0.876 57.297 58.200 -0.044 0.000 0.868 217 S CB 1.768 64.987 63.200 0.033 0.000 1.115 217 S HN 0.981 nan 8.310 nan 0.000 0.461 218 K N 2.049 122.484 120.400 0.059 0.000 2.002 218 K HA -0.087 4.233 4.320 -0.000 0.000 0.209 218 K C 1.969 178.591 176.600 0.037 0.000 1.048 218 K CA 2.215 58.537 56.287 0.059 0.000 0.930 218 K CB -0.797 31.765 32.500 0.103 0.000 0.714 218 K HN 0.573 nan 8.250 nan 0.000 0.438 219 S N 1.141 116.870 115.700 0.048 0.000 2.368 219 S HA -0.166 4.304 4.470 -0.000 0.000 0.226 219 S C 2.046 176.654 174.600 0.012 0.000 1.044 219 S CA 1.696 59.915 58.200 0.032 0.000 1.062 219 S CB -0.376 62.847 63.200 0.039 0.000 0.931 219 S HN 0.427 nan 8.310 nan 0.000 0.440 220 L N 0.681 121.908 121.223 0.006 0.000 2.456 220 L HA 0.122 4.462 4.340 -0.000 0.000 0.224 220 L C 1.947 178.812 176.870 -0.009 0.000 1.148 220 L CA 0.561 55.397 54.840 -0.007 0.000 0.825 220 L CB -1.000 41.051 42.059 -0.014 0.000 0.937 220 L HN 0.658 nan 8.230 nan 0.000 0.450 221 G N 1.465 110.262 108.800 -0.005 0.000 2.153 221 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.252 221 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.252 221 G C 0.182 175.077 174.900 -0.008 0.000 0.994 221 G CA 0.582 45.680 45.100 -0.003 0.000 0.698 221 G HN 0.642 nan 8.290 nan 0.000 0.521 222 N N -0.477 118.211 118.700 -0.020 0.000 2.535 222 N HA 0.654 5.394 4.740 -0.000 0.000 0.294 222 N C 0.191 175.685 175.510 -0.027 0.000 1.408 222 N CA 0.361 53.402 53.050 -0.015 0.000 0.927 222 N CB 0.634 39.112 38.487 -0.016 0.000 1.276 222 N HN 0.950 nan 8.380 nan 0.000 0.505 223 A N 0.069 122.861 122.820 -0.046 0.000 2.346 223 A HA 0.826 5.146 4.320 -0.000 0.000 0.313 223 A C -0.880 176.697 177.584 -0.012 0.000 1.140 223 A CA -0.790 51.191 52.037 -0.092 0.000 0.826 223 A CB 1.153 20.019 19.000 -0.224 0.000 1.332 223 A HN 0.283 nan 8.150 nan 0.000 0.457 224 I N 1.211 121.781 120.570 0.000 0.000 2.448 224 I HA 0.436 4.606 4.170 -0.000 0.000 0.281 224 I C 0.553 176.712 176.117 0.070 0.000 1.027 224 I CA -0.358 60.964 61.300 0.036 0.000 1.111 224 I CB 1.490 39.515 38.000 0.040 0.000 1.236 224 I HN 0.748 nan 8.210 nan 0.000 0.452 225 A N 5.237 128.102 122.820 0.075 0.000 2.425 225 A HA 0.286 4.606 4.320 -0.000 0.000 0.242 225 A C 0.945 178.564 177.584 0.058 0.000 1.077 225 A CA -0.260 51.838 52.037 0.101 0.000 0.781 225 A CB 0.447 19.488 19.000 0.067 0.000 1.020 225 A HN 0.725 nan 8.150 nan 0.000 0.494 226 L N 2.420 123.678 121.223 0.057 0.000 2.191 226 L HA -0.058 4.282 4.340 -0.000 0.000 0.212 226 L C 2.498 179.368 176.870 -0.000 0.000 1.103 226 L CA 2.405 57.255 54.840 0.016 0.000 0.769 226 L CB -0.816 41.249 42.059 0.011 0.000 0.908 226 L HN 0.884 nan 8.230 nan 0.000 0.438 227 G N -2.095 106.709 108.800 0.005 0.000 2.813 227 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.209 227 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.209 227 G C 0.378 175.278 174.900 0.000 0.000 1.150 227 G CA -0.230 44.870 45.100 -0.001 0.000 0.785 227 G HN 0.237 nan 8.290 nan 0.000 0.535 228 D N 1.381 121.784 120.400 0.004 0.000 2.455 228 D HA 0.172 4.812 4.640 -0.000 0.000 0.241 228 D C 1.115 177.411 176.300 -0.007 0.000 1.138 228 D CA 0.263 54.264 54.000 0.001 0.000 0.877 228 D CB 1.358 42.161 40.800 0.005 0.000 1.187 228 D HN 0.287 nan 8.370 nan 0.000 0.451 229 S N 0.807 116.503 115.700 -0.006 0.000 2.584 229 S HA 0.224 4.694 4.470 -0.000 0.000 0.270 229 S C 1.306 175.898 174.600 -0.013 0.000 1.346 229 S CA -0.205 57.990 58.200 -0.009 0.000 1.018 229 S CB 1.379 64.575 63.200 -0.006 0.000 0.899 229 S HN 0.467 nan 8.310 nan 0.000 0.542 230 A N 1.081 123.892 122.820 -0.016 0.000 2.024 230 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 230 A C 1.768 179.343 177.584 -0.016 0.000 1.164 230 A CA 1.991 54.016 52.037 -0.020 0.000 0.643 230 A CB -1.320 17.668 19.000 -0.019 0.000 0.806 230 A HN 1.060 nan 8.150 nan 0.000 0.451 231 D N -0.806 119.588 120.400 -0.011 0.000 2.077 231 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 231 D C 1.768 178.064 176.300 -0.007 0.000 0.986 231 D CA 1.444 55.439 54.000 -0.008 0.000 0.829 231 D CB -0.276 40.521 40.800 -0.006 0.000 0.983 231 D HN 0.265 nan 8.370 nan 0.000 0.453 232 E N 0.144 120.341 120.200 -0.005 0.000 2.086 232 E HA -0.158 4.192 4.350 -0.000 0.000 0.200 232 E C 2.472 179.071 176.600 -0.002 0.000 1.012 232 E CA 0.935 57.334 56.400 -0.002 0.000 0.812 232 E CB -0.573 29.127 29.700 0.000 0.000 0.743 232 E HN 0.298 nan 8.360 nan 0.000 0.453 233 V N 1.472 121.382 119.914 -0.007 0.000 2.332 233 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 233 V C 2.467 178.556 176.094 -0.009 0.000 1.055 233 V CA 1.929 64.224 62.300 -0.009 0.000 1.038 233 V CB -0.950 30.858 31.823 -0.026 0.000 0.651 233 V HN 0.288 nan 8.190 nan 0.000 0.450 234 A N 0.021 122.833 122.820 -0.013 0.000 1.865 234 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 234 A C 2.362 179.941 177.584 -0.010 0.000 1.191 234 A CA 2.146 54.175 52.037 -0.014 0.000 0.623 234 A CB -0.579 18.413 19.000 -0.012 0.000 0.826 234 A HN 0.513 nan 8.150 nan 0.000 0.444 235 R N -0.343 120.153 120.500 -0.006 0.000 2.096 235 R HA -0.161 4.179 4.340 -0.000 0.000 0.240 235 R C 2.310 178.608 176.300 -0.003 0.000 1.139 235 R CA 1.879 57.977 56.100 -0.003 0.000 0.952 235 R CB -0.345 29.955 30.300 -0.001 0.000 0.854 235 R HN 0.517 nan 8.270 nan 0.000 0.436 236 K N 0.141 120.542 120.400 0.002 0.000 2.097 236 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 236 K C 2.045 178.644 176.600 -0.003 0.000 1.049 236 K CA 1.288 57.579 56.287 0.007 0.000 0.933 236 K CB -0.060 32.452 32.500 0.021 0.000 0.717 236 K HN 0.027 nan 8.250 nan 0.000 0.442 237 V N 1.557 121.466 119.914 -0.008 0.000 2.515 237 V HA -0.234 3.886 4.120 -0.000 0.000 0.250 237 V C 2.255 178.319 176.094 -0.050 0.000 1.058 237 V CA 1.349 63.627 62.300 -0.035 0.000 1.064 237 V CB -0.332 31.473 31.823 -0.031 0.000 0.675 237 V HN 0.347 nan 8.190 nan 0.000 0.461 238 M N 0.437 120.019 119.600 -0.030 0.000 2.086 238 M HA -0.052 4.428 4.480 -0.000 0.000 0.261 238 M C 2.048 178.336 176.300 -0.020 0.000 1.067 238 M CA 2.076 57.362 55.300 -0.024 0.000 1.116 238 M CB -1.351 31.242 32.600 -0.012 0.000 1.348 238 M HN 0.449 nan 8.290 nan 0.000 0.407 239 G N 0.030 108.822 108.800 -0.013 0.000 3.327 239 G HA2 0.235 4.195 3.960 -0.000 0.000 0.240 239 G HA3 0.235 4.195 3.960 -0.000 0.000 0.240 239 G C 0.475 175.374 174.900 -0.001 0.000 1.222 239 G CA -0.244 44.855 45.100 -0.002 0.000 0.871 239 G HN 0.271 nan 8.290 nan 0.000 0.525 240 M N 0.524 120.106 119.600 -0.030 0.000 2.233 240 M HA 0.227 4.707 4.480 -0.000 0.000 0.350 240 M C 0.244 176.549 176.300 0.009 0.000 1.176 240 M CA -0.822 54.453 55.300 -0.041 0.000 1.150 240 M CB 0.861 33.373 32.600 -0.146 0.000 1.530 240 M HN 0.279 nan 8.290 nan 0.000 0.459 241 Y N 2.701 122.952 120.300 -0.081 0.000 2.652 241 Y HA -0.036 4.514 4.550 -0.000 0.000 0.344 241 Y C 0.945 176.815 175.900 -0.051 0.000 1.254 241 Y CA 1.430 59.503 58.100 -0.046 0.000 1.480 241 Y CB 0.662 39.098 38.460 -0.039 0.000 1.345 241 Y HN 0.861 nan 8.280 nan 0.000 0.617 242 T N -0.411 113.769 114.554 -0.623 0.000 3.451 242 T HA 0.211 4.561 4.350 -0.000 0.000 0.201 242 T C -0.703 173.732 174.700 -0.442 0.000 0.965 242 T CA 0.346 62.221 62.100 -0.375 0.000 1.088 242 T CB 0.130 68.911 68.868 -0.145 0.000 1.251 242 T HN 0.499 nan 8.240 nan 0.000 0.325 243 D N 2.428 122.613 120.400 -0.359 0.000 2.319 243 D HA 0.379 5.019 4.640 -0.000 0.000 0.237 243 D C -2.052 174.182 176.300 -0.111 0.000 1.353 243 D CA -1.916 51.985 54.000 -0.166 0.000 0.992 243 D CB 1.818 42.658 40.800 0.067 0.000 1.368 243 D HN 0.035 nan 8.370 nan 0.000 0.564 244 P HA -0.170 nan 4.420 nan 0.000 0.219 244 P C 1.255 178.565 177.300 0.016 0.000 1.153 244 P CA 1.548 64.637 63.100 -0.019 0.000 0.865 244 P CB 0.212 31.958 31.700 0.077 0.000 0.788 245 G N -2.004 106.817 108.800 0.034 0.000 2.813 245 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.209 245 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.209 245 G C 0.625 175.550 174.900 0.042 0.000 1.150 245 G CA -0.005 45.115 45.100 0.033 0.000 0.785 245 G HN 0.377 nan 8.290 nan 0.000 0.535 246 H N 0.535 119.578 119.070 -0.045 0.000 2.652 246 H HA 0.320 4.876 4.556 -0.000 0.000 0.298 246 H C 0.205 175.505 175.328 -0.046 0.000 1.076 246 H CA -0.506 55.505 56.048 -0.061 0.000 1.360 246 H CB 1.493 31.229 29.762 -0.044 0.000 1.421 246 H HN -0.046 nan 8.280 nan 0.000 0.464 247 L N 5.314 126.385 121.223 -0.253 0.000 2.642 247 L HA 0.184 4.524 4.340 -0.000 0.000 0.233 247 L C 0.826 177.582 176.870 -0.189 0.000 1.077 247 L CA 0.492 55.237 54.840 -0.158 0.000 0.879 247 L CB 0.082 42.077 42.059 -0.106 0.000 1.151 247 L HN 0.611 nan 8.230 nan 0.000 0.495 248 R N -1.734 118.564 120.500 -0.336 0.000 2.734 248 R HA 0.647 4.987 4.340 -0.000 0.000 0.271 248 R C 0.468 176.559 176.300 -0.348 0.000 1.021 248 R CA 0.012 55.969 56.100 -0.238 0.000 0.893 248 R CB 0.849 31.061 30.300 -0.146 0.000 1.244 248 R HN -0.208 nan 8.270 nan 0.000 0.464 249 A N 1.226 123.965 122.820 -0.135 0.000 1.892 249 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 249 A C 2.129 179.674 177.584 -0.066 0.000 1.188 249 A CA 2.797 54.814 52.037 -0.034 0.000 0.631 249 A CB -1.008 18.008 19.000 0.026 0.000 0.822 249 A HN 0.934 nan 8.150 nan 0.000 0.447 250 S N 0.374 116.023 115.700 -0.084 0.000 2.374 250 S HA -0.170 4.300 4.470 -0.000 0.000 0.227 250 S C 0.545 175.087 174.600 -0.097 0.000 1.037 250 S CA 1.080 59.238 58.200 -0.070 0.000 1.024 250 S CB -0.932 62.230 63.200 -0.064 0.000 0.861 250 S HN 0.515 nan 8.310 nan 0.000 0.456 251 D N 4.099 124.390 120.400 -0.182 0.000 2.443 251 D HA 0.262 4.902 4.640 -0.000 0.000 0.234 251 D C -2.145 174.085 176.300 -0.117 0.000 1.172 251 D CA -0.941 52.941 54.000 -0.197 0.000 0.878 251 D CB 0.233 40.825 40.800 -0.346 0.000 1.204 251 D HN 0.305 nan 8.370 nan 0.000 0.453 252 P HA 0.367 nan 4.420 nan 0.000 0.284 252 P C -0.525 176.775 177.300 -0.001 0.000 1.258 252 P CA -0.661 62.401 63.100 -0.063 0.000 0.824 252 P CB 1.588 33.256 31.700 -0.053 0.000 1.038 253 G N 1.154 109.791 108.800 -0.272 0.000 2.619 253 G HA2 0.481 4.441 3.960 -0.000 0.000 0.296 253 G HA3 0.481 4.441 3.960 -0.000 0.000 0.296 253 G C -1.228 173.652 174.900 -0.033 0.000 1.334 253 G CA -0.785 44.137 45.100 -0.296 0.000 0.934 253 G HN 0.508 nan 8.290 nan 0.000 0.476 254 R N 0.932 121.510 120.500 0.129 0.000 2.410 254 R HA 0.415 4.755 4.340 -0.000 0.000 0.288 254 R C 0.485 176.857 176.300 0.120 0.000 1.051 254 R CA -0.513 55.655 56.100 0.113 0.000 1.021 254 R CB 1.490 31.831 30.300 0.067 0.000 1.032 254 R HN 0.242 nan 8.270 nan 0.000 0.481 255 V N 2.698 122.574 119.914 -0.064 0.000 2.374 255 V HA -0.087 4.033 4.120 -0.000 0.000 0.241 255 V C 0.421 176.474 176.094 -0.068 0.000 1.034 255 V CA 0.965 63.095 62.300 -0.282 0.000 1.037 255 V CB -0.472 31.049 31.823 -0.503 0.000 0.682 255 V HN 0.767 nan 8.190 nan 0.000 0.463 256 E N 1.404 121.584 120.200 -0.033 0.000 2.502 256 E HA 0.132 4.481 4.350 -0.000 0.000 0.261 256 E C 1.213 177.852 176.600 0.065 0.000 0.974 256 E CA 0.898 57.310 56.400 0.019 0.000 0.936 256 E CB -0.126 29.582 29.700 0.014 0.000 0.926 256 E HN 0.546 nan 8.360 nan 0.000 0.459 257 G N 3.369 112.221 108.800 0.087 0.000 2.267 257 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.257 257 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.257 257 G C 0.312 175.323 174.900 0.184 0.000 0.998 257 G CA 0.458 45.634 45.100 0.127 0.000 0.620 257 G HN 0.704 nan 8.290 nan 0.000 0.529 258 N N 1.769 120.561 118.700 0.153 0.000 2.482 258 N HA 0.382 5.122 4.740 -0.000 0.000 0.242 258 N C -0.282 175.295 175.510 0.110 0.000 1.100 258 N CA -1.410 51.727 53.050 0.145 0.000 0.946 258 N CB 1.179 39.755 38.487 0.148 0.000 1.227 258 N HN 0.120 nan 8.380 nan 0.000 0.508 259 P HA -0.201 nan 4.420 nan 0.000 0.217 259 P C 1.344 178.480 177.300 -0.272 0.000 1.148 259 P CA 1.016 64.063 63.100 -0.088 0.000 0.834 259 P CB 0.250 31.836 31.700 -0.189 0.000 0.783 260 V N -1.211 118.522 119.914 -0.303 0.000 2.380 260 V HA -0.216 3.904 4.120 -0.000 0.000 0.251 260 V C 2.368 178.240 176.094 -0.371 0.000 1.063 260 V CA 1.820 63.870 62.300 -0.416 0.000 1.055 260 V CB -1.452 30.077 31.823 -0.489 0.000 0.657 260 V HN -0.020 nan 8.190 nan 0.000 0.455 261 F N -0.210 119.671 119.950 -0.116 0.000 2.569 261 F HA -0.027 4.500 4.527 -0.000 0.000 0.295 261 F C 2.393 178.214 175.800 0.034 0.000 1.115 261 F CA 1.161 59.127 58.000 -0.056 0.000 1.450 261 F CB -0.421 38.512 39.000 -0.111 0.000 1.107 261 F HN 0.048 nan 8.300 nan 0.000 0.563 262 T N -0.437 114.248 114.554 0.218 0.000 2.942 262 T HA -0.074 4.276 4.350 -0.000 0.000 0.265 262 T C 1.810 176.704 174.700 0.323 0.000 1.062 262 T CA 0.966 63.205 62.100 0.232 0.000 1.139 262 T CB -0.419 68.588 68.868 0.232 0.000 0.883 262 T HN 0.206 nan 8.240 nan 0.000 0.468 263 F N 0.737 120.720 119.950 0.054 0.000 2.259 263 F HA 0.114 4.640 4.527 -0.000 0.000 0.298 263 F C 2.041 177.913 175.800 0.120 0.000 1.088 263 F CA 0.277 58.347 58.000 0.117 0.000 1.358 263 F CB -0.163 38.910 39.000 0.123 0.000 1.040 263 F HN 0.069 nan 8.300 nan 0.000 0.505 264 L N -0.331 121.037 121.223 0.241 0.000 2.093 264 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 264 L C 1.659 178.605 176.870 0.127 0.000 1.085 264 L CA 0.986 55.918 54.840 0.153 0.000 0.755 264 L CB -0.508 41.603 42.059 0.087 0.000 0.904 264 L HN 0.039 nan 8.230 nan 0.000 0.435 265 D N 0.027 120.492 120.400 0.109 0.000 2.269 265 D HA -0.081 4.559 4.640 -0.000 0.000 0.208 265 D C 1.968 178.237 176.300 -0.052 0.000 0.963 265 D CA 1.163 55.192 54.000 0.048 0.000 0.864 265 D CB 0.244 41.075 40.800 0.051 0.000 0.936 265 D HN 0.299 nan 8.370 nan 0.000 0.505 266 A N -1.195 121.530 122.820 -0.158 0.000 2.147 266 A HA 0.140 4.460 4.320 -0.000 0.000 0.211 266 A C 1.122 178.293 177.584 -0.688 0.000 1.160 266 A CA 0.316 52.058 52.037 -0.491 0.000 0.781 266 A CB 0.070 18.610 19.000 -0.766 0.000 0.842 266 A HN 0.126 nan 8.150 nan 0.000 0.475 267 F N -1.144 118.803 119.950 -0.005 0.000 2.876 267 F HA 0.233 4.760 4.527 0.000 0.000 0.344 267 F C 0.210 176.004 175.800 -0.010 0.000 1.029 267 F CA -1.157 56.833 58.000 -0.018 0.000 1.154 267 F CB 0.387 39.363 39.000 -0.040 0.000 1.040 267 F HN 0.009 nan 8.300 nan 0.000 0.576 268 D N 4.133 124.632 120.400 0.165 0.000 2.346 268 D HA 0.070 4.710 4.640 -0.000 0.000 0.260 268 D C -1.314 175.043 176.300 0.095 0.000 1.252 268 D CA -1.589 52.477 54.000 0.110 0.000 0.895 268 D CB 1.304 42.174 40.800 0.117 0.000 1.097 268 D HN 0.038 nan 8.370 nan 0.000 0.489 269 P HA -0.130 nan 4.420 nan 0.000 0.216 269 P C 0.062 177.401 177.300 0.065 0.000 1.150 269 P CA 0.999 64.140 63.100 0.069 0.000 0.843 269 P CB 0.147 31.884 31.700 0.061 0.000 0.787 270 D N -0.622 119.827 120.400 0.082 0.000 2.441 270 D HA 0.136 4.776 4.640 -0.000 0.000 0.231 270 D C -2.009 174.340 176.300 0.082 0.000 1.073 270 D CA -2.549 51.495 54.000 0.073 0.000 0.850 270 D CB 1.385 42.226 40.800 0.069 0.000 1.062 270 D HN 0.081 nan 8.370 nan 0.000 0.524 271 P HA -0.129 nan 4.420 nan 0.000 0.228 271 P C 1.128 178.464 177.300 0.060 0.000 1.151 271 P CA 0.650 63.789 63.100 0.065 0.000 0.770 271 P CB 0.328 32.056 31.700 0.047 0.000 0.786 272 A N 0.582 123.432 122.820 0.050 0.000 1.873 272 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 272 A C 2.535 180.141 177.584 0.037 0.000 1.186 272 A CA 1.305 53.365 52.037 0.038 0.000 0.616 272 A CB -1.111 17.906 19.000 0.029 0.000 0.823 272 A HN 0.037 nan 8.150 nan 0.000 0.442 273 R N -0.530 119.995 120.500 0.042 0.000 2.070 273 R HA -0.093 4.247 4.340 -0.000 0.000 0.233 273 R C 2.077 178.408 176.300 0.052 0.000 1.137 273 R CA 1.714 57.820 56.100 0.009 0.000 0.945 273 R CB -0.538 29.765 30.300 0.006 0.000 0.845 273 R HN 0.320 nan 8.270 nan 0.000 0.430 274 V N 0.877 120.863 119.914 0.120 0.000 2.231 274 V HA -0.332 3.788 4.120 -0.000 0.000 0.250 274 V C 2.365 178.545 176.094 0.143 0.000 1.058 274 V CA 2.283 64.683 62.300 0.167 0.000 1.022 274 V CB -0.713 31.204 31.823 0.157 0.000 0.640 274 V HN 0.400 nan 8.190 nan 0.000 0.445 275 Q N 0.314 120.167 119.800 0.089 0.000 2.181 275 Q HA -0.138 4.202 4.340 -0.000 0.000 0.205 275 Q C 2.036 178.066 176.000 0.050 0.000 0.980 275 Q CA 2.126 57.963 55.803 0.056 0.000 0.862 275 Q CB -0.636 28.123 28.738 0.036 0.000 0.905 275 Q HN 0.638 nan 8.270 nan 0.000 0.429 276 A N -0.050 122.800 122.820 0.050 0.000 1.873 276 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 276 A C 1.880 179.503 177.584 0.066 0.000 1.186 276 A CA 1.269 53.329 52.037 0.039 0.000 0.616 276 A CB -0.642 18.367 19.000 0.016 0.000 0.823 276 A HN 0.417 nan 8.150 nan 0.000 0.442 277 L N -0.100 121.183 121.223 0.100 0.000 2.042 277 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 277 L C 2.334 179.353 176.870 0.249 0.000 1.076 277 L CA 2.140 57.091 54.840 0.186 0.000 0.749 277 L CB -1.313 40.890 42.059 0.240 0.000 0.893 277 L HN 0.434 nan 8.230 nan 0.000 0.432 278 K N -0.407 120.090 120.400 0.162 0.000 2.063 278 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 278 K C 1.688 178.267 176.600 -0.035 0.000 1.048 278 K CA 1.572 57.789 56.287 -0.116 0.000 0.928 278 K CB 0.006 32.407 32.500 -0.164 0.000 0.713 278 K HN 0.279 nan 8.250 nan 0.000 0.442 279 D N 0.690 121.100 120.400 0.017 0.000 2.106 279 D HA -0.191 4.449 4.640 -0.000 0.000 0.194 279 D C 1.872 178.202 176.300 0.049 0.000 0.988 279 D CA 1.453 55.464 54.000 0.020 0.000 0.845 279 D CB -0.453 40.360 40.800 0.022 0.000 0.990 279 D HN 0.249 nan 8.370 nan 0.000 0.448 280 Q N -1.005 118.840 119.800 0.075 0.000 2.325 280 Q HA -0.227 4.112 4.340 -0.000 0.000 0.211 280 Q C 1.870 177.952 176.000 0.136 0.000 0.988 280 Q CA 1.091 56.947 55.803 0.089 0.000 0.887 280 Q CB -0.273 28.521 28.738 0.092 0.000 0.915 280 Q HN 0.456 nan 8.270 nan 0.000 0.440 281 Y N 1.131 121.444 120.300 0.023 0.000 2.243 281 Y HA -0.043 4.507 4.550 -0.000 0.000 0.293 281 Y C 2.063 177.947 175.900 -0.027 0.000 1.124 281 Y CA 1.144 59.256 58.100 0.020 0.000 1.159 281 Y CB 0.192 38.673 38.460 0.036 0.000 1.008 281 Y HN -0.145 nan 8.280 nan 0.000 0.527 282 R N -0.023 120.506 120.500 0.049 0.000 2.115 282 R HA -0.080 4.260 4.340 -0.000 0.000 0.230 282 R C 2.379 178.650 176.300 -0.047 0.000 1.111 282 R CA 0.838 56.917 56.100 -0.034 0.000 0.976 282 R CB -0.463 29.824 30.300 -0.021 0.000 0.870 282 R HN 0.405 nan 8.270 nan 0.000 0.445 283 A N 0.691 123.500 122.820 -0.018 0.000 1.827 283 A HA 0.188 4.508 4.320 -0.000 0.000 0.215 283 A C 1.044 178.609 177.584 -0.031 0.000 1.212 283 A CA 1.561 53.590 52.037 -0.015 0.000 0.624 283 A CB -0.687 18.317 19.000 0.006 0.000 0.853 283 A HN 0.454 nan 8.150 nan 0.000 0.450 284 G N -5.775 103.009 108.800 -0.026 0.000 2.337 284 G HA2 0.517 4.477 3.960 -0.000 0.000 0.310 284 G HA3 0.517 4.477 3.960 -0.000 0.000 0.310 284 G C 0.618 175.518 174.900 -0.000 0.000 1.534 284 G CA 0.509 45.591 45.100 -0.030 0.000 0.982 284 G HN 2.019 nan 8.290 nan 0.000 0.672 285 G N -1.201 107.603 108.800 0.007 0.000 2.234 285 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.235 285 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.235 285 G C 0.446 175.382 174.900 0.061 0.000 0.997 285 G CA 0.666 45.779 45.100 0.022 0.000 0.623 285 G HN 1.797 nan 8.290 nan 0.000 0.514 286 L N 2.996 124.276 121.223 0.096 0.000 2.270 286 L HA 0.673 5.013 4.340 -0.000 0.000 0.286 286 L C 1.172 178.189 176.870 0.246 0.000 1.059 286 L CA 0.314 55.253 54.840 0.165 0.000 0.839 286 L CB 0.044 42.239 42.059 0.227 0.000 1.221 286 L HN 0.332 nan 8.230 nan 0.000 0.431 287 G N 3.322 112.250 108.800 0.212 0.000 2.616 287 G HA2 0.143 4.103 3.960 -0.000 0.000 0.268 287 G HA3 0.143 4.103 3.960 -0.000 0.000 0.268 287 G C 0.522 175.592 174.900 0.282 0.000 1.213 287 G CA -0.369 44.895 45.100 0.274 0.000 0.926 287 G HN 0.670 nan 8.290 nan 0.000 0.523 288 D N -0.623 119.940 120.400 0.271 0.000 2.178 288 D HA -0.119 4.521 4.640 -0.000 0.000 0.202 288 D C 2.713 179.049 176.300 0.060 0.000 0.974 288 D CA 0.606 54.696 54.000 0.150 0.000 0.841 288 D CB -0.071 40.804 40.800 0.125 0.000 0.953 288 D HN 0.113 nan 8.370 nan 0.000 0.478 289 V N 1.533 121.490 119.914 0.072 0.000 2.287 289 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 289 V C 2.373 178.488 176.094 0.036 0.000 1.053 289 V CA 1.448 63.772 62.300 0.041 0.000 1.027 289 V CB -0.342 31.506 31.823 0.042 0.000 0.646 289 V HN 0.115 nan 8.190 nan 0.000 0.447 290 K N -0.067 120.367 120.400 0.056 0.000 2.148 290 K HA -0.021 4.299 4.320 -0.000 0.000 0.204 290 K C 2.094 178.722 176.600 0.047 0.000 1.050 290 K CA 0.941 57.260 56.287 0.053 0.000 0.942 290 K CB -0.522 32.017 32.500 0.064 0.000 0.724 290 K HN 0.436 nan 8.250 nan 0.000 0.446 291 V N 1.602 121.529 119.914 0.023 0.000 2.283 291 V HA -0.190 3.930 4.120 -0.000 0.000 0.243 291 V C 2.231 178.275 176.094 -0.084 0.000 1.039 291 V CA 1.565 63.829 62.300 -0.059 0.000 1.016 291 V CB -0.366 31.321 31.823 -0.227 0.000 0.650 291 V HN 0.276 nan 8.190 nan 0.000 0.449 292 K N 0.076 120.416 120.400 -0.099 0.000 2.103 292 K HA -0.243 4.077 4.320 -0.000 0.000 0.207 292 K C 2.253 178.824 176.600 -0.049 0.000 1.048 292 K CA 1.485 57.712 56.287 -0.099 0.000 0.930 292 K CB -0.221 32.231 32.500 -0.079 0.000 0.716 292 K HN 0.140 nan 8.250 nan 0.000 0.444 293 K N 0.485 120.881 120.400 -0.007 0.000 2.147 293 K HA -0.160 4.160 4.320 -0.000 0.000 0.205 293 K C 1.852 178.472 176.600 0.034 0.000 1.049 293 K CA 1.357 57.652 56.287 0.013 0.000 0.936 293 K CB -0.258 32.259 32.500 0.029 0.000 0.722 293 K HN 0.316 nan 8.250 nan 0.000 0.446 294 H N -0.657 118.387 119.070 -0.043 0.000 2.502 294 H HA 0.025 4.581 4.556 -0.000 0.000 0.283 294 H C 1.775 177.080 175.328 -0.038 0.000 1.015 294 H CA 0.740 56.768 56.048 -0.035 0.000 1.298 294 H CB 0.293 30.034 29.762 -0.034 0.000 1.411 294 H HN 0.171 nan 8.280 nan 0.000 0.556 295 L N 0.508 121.614 121.223 -0.195 0.000 2.095 295 L HA -0.102 4.238 4.340 -0.000 0.000 0.204 295 L C 2.305 179.086 176.870 -0.149 0.000 1.080 295 L CA 0.675 55.393 54.840 -0.204 0.000 0.759 295 L CB -0.209 41.773 42.059 -0.127 0.000 0.914 295 L HN 0.267 nan 8.230 nan 0.000 0.439 296 I N 0.066 120.575 120.570 -0.101 0.000 2.163 296 I HA -0.347 3.823 4.170 -0.000 0.000 0.243 296 I C 1.992 178.059 176.117 -0.083 0.000 1.085 296 I CA 1.452 62.710 61.300 -0.071 0.000 1.347 296 I CB -0.460 37.514 38.000 -0.042 0.000 1.044 296 I HN 0.305 nan 8.210 nan 0.000 0.408 297 D N 0.237 120.581 120.400 -0.093 0.000 2.144 297 D HA -0.154 4.486 4.640 -0.000 0.000 0.199 297 D C 2.178 178.414 176.300 -0.106 0.000 0.984 297 D CA 1.120 55.075 54.000 -0.075 0.000 0.834 297 D CB -0.318 40.467 40.800 -0.026 0.000 0.955 297 D HN 0.260 nan 8.370 nan 0.000 0.465 298 V N 0.298 120.097 119.914 -0.191 0.000 2.379 298 V HA -0.130 3.990 4.120 -0.000 0.000 0.245 298 V C 2.129 178.158 176.094 -0.109 0.000 1.044 298 V CA 1.097 63.309 62.300 -0.145 0.000 1.036 298 V CB -0.281 31.424 31.823 -0.196 0.000 0.664 298 V HN 0.141 nan 8.190 nan 0.000 0.453 299 L N 0.339 121.483 121.223 -0.132 0.000 2.056 299 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 299 L C 2.443 179.224 176.870 -0.148 0.000 1.078 299 L CA 2.090 56.819 54.840 -0.185 0.000 0.749 299 L CB -0.886 41.074 42.059 -0.165 0.000 0.901 299 L HN 0.369 nan 8.230 nan 0.000 0.433 300 N N 0.320 118.961 118.700 -0.099 0.000 2.289 300 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 300 N C 1.800 177.273 175.510 -0.062 0.000 1.016 300 N CA 1.280 54.286 53.050 -0.072 0.000 0.872 300 N CB -0.263 38.194 38.487 -0.050 0.000 0.973 300 N HN 0.301 nan 8.380 nan 0.000 0.433 301 G N -0.598 108.167 108.800 -0.058 0.000 2.421 301 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.217 301 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.217 301 G C 1.487 176.363 174.900 -0.040 0.000 1.143 301 G CA 0.421 45.499 45.100 -0.037 0.000 0.784 301 G HN 0.169 nan 8.290 nan 0.000 0.541 302 V N 0.296 120.168 119.914 -0.070 0.000 2.488 302 V HA 0.016 4.136 4.120 -0.000 0.000 0.246 302 V C 2.658 178.698 176.094 -0.089 0.000 1.046 302 V CA 0.947 63.202 62.300 -0.075 0.000 1.053 302 V CB -0.056 31.679 31.823 -0.146 0.000 0.679 302 V HN 0.207 nan 8.190 nan 0.000 0.458 303 L N 0.133 121.287 121.223 -0.114 0.000 2.162 303 L HA 0.177 4.517 4.340 -0.000 0.000 0.205 303 L C 2.581 179.419 176.870 -0.053 0.000 1.086 303 L CA 1.720 56.504 54.840 -0.093 0.000 0.778 303 L CB -1.339 40.652 42.059 -0.113 0.000 0.928 303 L HN 0.239 nan 8.230 nan 0.000 0.446 304 A N 1.088 123.881 122.820 -0.045 0.000 1.884 304 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 304 A C -0.030 177.542 177.584 -0.019 0.000 1.197 304 A CA 2.400 54.420 52.037 -0.029 0.000 0.637 304 A CB -2.082 16.903 19.000 -0.024 0.000 0.827 304 A HN 0.385 nan 8.150 nan 0.000 0.450 305 P HA -0.094 nan 4.420 nan 0.000 0.218 305 P C 1.469 178.767 177.300 -0.002 0.000 1.149 305 P CA 1.017 64.113 63.100 -0.007 0.000 0.817 305 P CB -0.181 31.516 31.700 -0.004 0.000 0.785 306 I N -0.396 120.168 120.570 -0.009 0.000 2.353 306 I HA -0.135 4.035 4.170 -0.000 0.000 0.248 306 I C 2.873 178.990 176.117 -0.000 0.000 1.119 306 I CA 1.058 62.355 61.300 -0.005 0.000 1.417 306 I CB -0.423 37.567 38.000 -0.016 0.000 1.078 306 I HN -0.159 nan 8.210 nan 0.000 0.421 307 R N 0.430 120.925 120.500 -0.008 0.000 2.092 307 R HA -0.131 4.208 4.340 -0.000 0.000 0.231 307 R C 2.503 178.805 176.300 0.004 0.000 1.119 307 R CA 2.071 58.168 56.100 -0.005 0.000 0.970 307 R CB -0.504 29.788 30.300 -0.013 0.000 0.864 307 R HN 0.508 nan 8.270 nan 0.000 0.440 308 T N -0.953 113.603 114.554 0.002 0.000 2.737 308 T HA -0.107 4.243 4.350 -0.000 0.000 0.265 308 T C 1.923 176.632 174.700 0.014 0.000 1.038 308 T CA 0.748 62.849 62.100 0.001 0.000 1.144 308 T CB -0.213 68.651 68.868 -0.006 0.000 0.866 308 T HN 0.203 nan 8.240 nan 0.000 0.434 309 R N 0.684 121.206 120.500 0.037 0.000 2.081 309 R HA 0.054 4.394 4.340 -0.000 0.000 0.235 309 R C 2.921 179.320 176.300 0.165 0.000 1.131 309 R CA 1.263 57.423 56.100 0.100 0.000 0.960 309 R CB -0.374 30.005 30.300 0.131 0.000 0.856 309 R HN 0.401 nan 8.270 nan 0.000 0.436 310 R N 0.875 121.432 120.500 0.095 0.000 2.097 310 R HA -0.183 4.157 4.340 -0.000 0.000 0.236 310 R C 2.223 178.571 176.300 0.081 0.000 1.135 310 R CA 1.859 58.007 56.100 0.080 0.000 0.934 310 R CB -0.379 29.936 30.300 0.025 0.000 0.846 310 R HN 0.237 nan 8.270 nan 0.000 0.431 311 A N 1.025 123.869 122.820 0.040 0.000 1.892 311 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 311 A C 2.039 179.631 177.584 0.012 0.000 1.188 311 A CA 1.822 53.871 52.037 0.019 0.000 0.631 311 A CB -0.711 18.290 19.000 0.002 0.000 0.822 311 A HN 0.576 nan 8.150 nan 0.000 0.447 312 E N -1.450 118.746 120.200 -0.007 0.000 2.065 312 E HA -0.254 4.096 4.350 -0.000 0.000 0.201 312 E C 1.809 178.343 176.600 -0.111 0.000 1.016 312 E CA 1.884 58.233 56.400 -0.084 0.000 0.818 312 E CB -0.303 29.307 29.700 -0.150 0.000 0.749 312 E HN 0.776 nan 8.360 nan 0.000 0.453 313 Y N 1.109 121.383 120.300 -0.044 0.000 2.421 313 Y HA -0.119 4.431 4.550 -0.000 0.000 0.292 313 Y C 2.135 178.013 175.900 -0.037 0.000 1.136 313 Y CA 0.962 59.033 58.100 -0.048 0.000 1.255 313 Y CB 0.096 38.517 38.460 -0.065 0.000 0.991 313 Y HN 0.117 nan 8.280 nan 0.000 0.552 314 E N -0.285 119.975 120.200 0.100 0.000 2.150 314 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 314 E C 1.946 178.560 176.600 0.024 0.000 0.985 314 E CA 0.625 57.056 56.400 0.052 0.000 0.814 314 E CB -0.052 29.665 29.700 0.028 0.000 0.752 314 E HN 0.413 nan 8.360 nan 0.000 0.466 315 R N 0.957 121.456 120.500 -0.000 0.000 2.189 315 R HA -0.010 4.330 4.340 -0.000 0.000 0.218 315 R C 0.547 176.836 176.300 -0.019 0.000 1.074 315 R CA 0.596 56.685 56.100 -0.018 0.000 0.991 315 R CB -0.178 30.098 30.300 -0.040 0.000 0.883 315 R HN 0.041 nan 8.270 nan 0.000 0.457 316 D N 0.920 121.310 120.400 -0.016 0.000 2.863 316 D HA 0.156 4.795 4.640 -0.000 0.000 0.323 316 D C -1.556 174.778 176.300 0.057 0.000 1.286 316 D CA -2.264 51.731 54.000 -0.008 0.000 0.921 316 D CB 0.865 41.614 40.800 -0.084 0.000 1.024 316 D HN -0.040 nan 8.370 nan 0.000 0.505 317 P HA -0.144 nan 4.420 nan 0.000 0.216 317 P C 0.776 178.112 177.300 0.059 0.000 1.150 317 P CA 0.929 64.061 63.100 0.053 0.000 0.843 317 P CB 0.638 32.355 31.700 0.028 0.000 0.787 318 D N 0.276 120.703 120.400 0.046 0.000 2.144 318 D HA -0.105 4.535 4.640 -0.000 0.000 0.199 318 D C 2.153 178.497 176.300 0.074 0.000 0.984 318 D CA 1.545 55.573 54.000 0.046 0.000 0.834 318 D CB -0.802 40.016 40.800 0.029 0.000 0.955 318 D HN 0.156 nan 8.370 nan 0.000 0.465 319 A N 0.558 123.436 122.820 0.096 0.000 1.972 319 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 319 A C 2.476 180.183 177.584 0.204 0.000 1.169 319 A CA 1.027 53.154 52.037 0.151 0.000 0.635 319 A CB -0.518 18.573 19.000 0.152 0.000 0.810 319 A HN 0.158 nan 8.150 nan 0.000 0.446 320 V N -0.130 119.895 119.914 0.184 0.000 2.323 320 V HA -0.192 3.928 4.120 -0.000 0.000 0.244 320 V C 2.436 178.616 176.094 0.143 0.000 1.041 320 V CA 1.557 63.931 62.300 0.123 0.000 1.025 320 V CB -0.738 31.123 31.823 0.063 0.000 0.656 320 V HN 0.593 nan 8.190 nan 0.000 0.451 321 L N -0.147 121.133 121.223 0.094 0.000 2.083 321 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 321 L C 2.777 179.689 176.870 0.070 0.000 1.083 321 L CA 1.873 56.750 54.840 0.061 0.000 0.752 321 L CB -0.372 41.711 42.059 0.039 0.000 0.899 321 L HN 0.298 nan 8.230 nan 0.000 0.433 322 R N -0.894 119.664 120.500 0.096 0.000 2.096 322 R HA -0.243 4.097 4.340 -0.000 0.000 0.235 322 R C 2.298 178.677 176.300 0.132 0.000 1.127 322 R CA 1.735 57.890 56.100 0.092 0.000 0.968 322 R CB -0.422 29.936 30.300 0.097 0.000 0.861 322 R HN 0.326 nan 8.270 nan 0.000 0.440 323 F N 0.487 120.429 119.950 -0.013 0.000 2.091 323 F HA -0.294 4.233 4.527 -0.000 0.000 0.299 323 F C 2.020 177.787 175.800 -0.055 0.000 1.103 323 F CA 1.690 59.669 58.000 -0.036 0.000 1.228 323 F CB -0.036 38.930 39.000 -0.056 0.000 0.984 323 F HN -0.033 nan 8.300 nan 0.000 0.477 324 V N -2.014 117.824 119.914 -0.126 0.000 2.535 324 V HA -0.139 3.981 4.120 -0.000 0.000 0.246 324 V C 2.227 178.222 176.094 -0.164 0.000 1.045 324 V CA 1.688 63.839 62.300 -0.248 0.000 1.058 324 V CB -1.474 30.260 31.823 -0.148 0.000 0.689 324 V HN 0.507 nan 8.190 nan 0.000 0.461 325 T N -2.251 112.254 114.554 -0.081 0.000 2.962 325 T HA -0.109 4.240 4.350 -0.000 0.000 0.270 325 T C 1.765 176.423 174.700 -0.070 0.000 1.088 325 T CA 1.689 63.753 62.100 -0.061 0.000 1.127 325 T CB -0.316 68.536 68.868 -0.026 0.000 0.883 325 T HN 0.656 nan 8.240 nan 0.000 0.493 326 E N 0.813 120.966 120.200 -0.079 0.000 2.140 326 E HA 0.145 4.495 4.350 -0.000 0.000 0.191 326 E C 2.455 178.970 176.600 -0.143 0.000 0.973 326 E CA 0.535 56.889 56.400 -0.078 0.000 0.829 326 E CB -0.458 29.221 29.700 -0.035 0.000 0.781 326 E HN 0.609 nan 8.360 nan 0.000 0.466 327 G N 0.157 108.815 108.800 -0.237 0.000 2.418 327 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 327 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 327 G C 1.585 176.307 174.900 -0.296 0.000 1.158 327 G CA 1.361 46.250 45.100 -0.351 0.000 0.771 327 G HN 0.225 nan 8.290 nan 0.000 0.545 328 T N 1.815 116.237 114.554 -0.220 0.000 2.684 328 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 328 T C 2.809 177.463 174.700 -0.077 0.000 1.036 328 T CA 1.694 63.713 62.100 -0.135 0.000 1.148 328 T CB -0.454 68.357 68.868 -0.094 0.000 0.863 328 T HN 0.393 nan 8.240 nan 0.000 0.436 329 A N 1.915 124.693 122.820 -0.071 0.000 1.865 329 A HA -0.181 4.138 4.320 -0.000 0.000 0.217 329 A C 2.245 179.814 177.584 -0.026 0.000 1.191 329 A CA 2.315 54.331 52.037 -0.035 0.000 0.623 329 A CB -0.696 18.284 19.000 -0.033 0.000 0.826 329 A HN 0.449 nan 8.150 nan 0.000 0.444 330 R N -0.333 120.128 120.500 -0.065 0.000 2.097 330 R HA -0.100 4.240 4.340 -0.000 0.000 0.236 330 R C 2.222 178.526 176.300 0.006 0.000 1.135 330 R CA 2.396 58.465 56.100 -0.051 0.000 0.934 330 R CB -1.280 28.934 30.300 -0.142 0.000 0.846 330 R HN 0.375 nan 8.270 nan 0.000 0.431 331 G N 0.515 109.276 108.800 -0.064 0.000 2.476 331 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 331 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 331 G C 1.555 176.630 174.900 0.292 0.000 1.164 331 G CA 0.725 45.891 45.100 0.110 0.000 0.768 331 G HN 0.224 nan 8.290 nan 0.000 0.560 332 R N 0.728 121.317 120.500 0.148 0.000 2.103 332 R HA -0.109 4.230 4.340 -0.000 0.000 0.242 332 R C 2.460 178.819 176.300 0.099 0.000 1.142 332 R CA 1.830 57.999 56.100 0.115 0.000 0.960 332 R CB -0.621 29.711 30.300 0.053 0.000 0.858 332 R HN 0.680 nan 8.270 nan 0.000 0.439 333 E N -0.149 120.105 120.200 0.090 0.000 2.072 333 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 333 E C 1.899 178.560 176.600 0.102 0.000 0.985 333 E CA 1.210 57.656 56.400 0.077 0.000 0.801 333 E CB 0.115 29.853 29.700 0.063 0.000 0.750 333 E HN 0.087 nan 8.360 nan 0.000 0.452 334 V N 1.465 121.482 119.914 0.171 0.000 2.295 334 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 334 V C 2.554 178.725 176.094 0.129 0.000 1.049 334 V CA 1.865 64.284 62.300 0.198 0.000 1.024 334 V CB -0.789 31.255 31.823 0.369 0.000 0.648 334 V HN 0.460 nan 8.190 nan 0.000 0.447 335 A N -0.022 122.872 122.820 0.125 0.000 1.902 335 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 335 A C 2.457 180.011 177.584 -0.051 0.000 1.181 335 A CA 2.040 54.037 52.037 -0.068 0.000 0.623 335 A CB -0.868 18.034 19.000 -0.163 0.000 0.818 335 A HN 0.576 nan 8.150 nan 0.000 0.443 336 A N -0.599 122.220 122.820 -0.001 0.000 1.917 336 A HA -0.297 4.023 4.320 -0.000 0.000 0.219 336 A C 2.139 179.722 177.584 -0.002 0.000 1.182 336 A CA 1.958 53.993 52.037 -0.003 0.000 0.633 336 A CB -0.677 18.334 19.000 0.019 0.000 0.819 336 A HN 0.679 nan 8.150 nan 0.000 0.448 337 Q N -1.203 118.605 119.800 0.013 0.000 2.020 337 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 337 Q C 2.280 178.277 176.000 -0.005 0.000 0.982 337 Q CA 2.045 57.856 55.803 0.013 0.000 0.838 337 Q CB -0.463 28.291 28.738 0.026 0.000 0.899 337 Q HN 0.703 nan 8.270 nan 0.000 0.423 338 T N 1.542 116.081 114.554 -0.025 0.000 2.759 338 T HA -0.118 4.232 4.350 -0.000 0.000 0.269 338 T C 1.696 176.356 174.700 -0.067 0.000 1.042 338 T CA 0.737 62.806 62.100 -0.052 0.000 1.140 338 T CB -0.082 68.731 68.868 -0.091 0.000 0.864 338 T HN 0.107 nan 8.240 nan 0.000 0.455 339 L N 1.084 122.261 121.223 -0.077 0.000 2.141 339 L HA 0.026 4.366 4.340 -0.000 0.000 0.209 339 L C 2.811 179.648 176.870 -0.055 0.000 1.094 339 L CA 1.640 56.435 54.840 -0.074 0.000 0.763 339 L CB -1.799 40.213 42.059 -0.078 0.000 0.908 339 L HN 0.371 nan 8.230 nan 0.000 0.437 340 G N -0.909 107.873 108.800 -0.030 0.000 2.480 340 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.216 340 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.216 340 G C 1.411 176.309 174.900 -0.003 0.000 1.200 340 G CA 0.191 45.286 45.100 -0.008 0.000 0.782 340 G HN 0.376 nan 8.290 nan 0.000 0.554 341 Q N -0.086 119.721 119.800 0.011 0.000 2.224 341 Q HA -0.027 4.313 4.340 -0.000 0.000 0.203 341 Q C 2.896 178.936 176.000 0.066 0.000 0.970 341 Q CA 0.898 56.723 55.803 0.038 0.000 0.865 341 Q CB -0.221 28.543 28.738 0.043 0.000 0.922 341 Q HN 0.424 nan 8.270 nan 0.000 0.445 342 V N 0.985 120.925 119.914 0.043 0.000 2.307 342 V HA -0.250 3.869 4.120 -0.000 0.000 0.245 342 V C 2.327 178.445 176.094 0.040 0.000 1.045 342 V CA 1.665 64.041 62.300 0.127 0.000 1.024 342 V CB -0.409 31.426 31.823 0.020 0.000 0.651 342 V HN 0.312 nan 8.190 nan 0.000 0.449 343 R N -0.272 120.166 120.500 -0.103 0.000 2.073 343 R HA -0.178 4.162 4.340 -0.000 0.000 0.234 343 R C 2.538 178.723 176.300 -0.191 0.000 1.134 343 R CA 1.768 57.695 56.100 -0.288 0.000 0.952 343 R CB -0.500 29.413 30.300 -0.645 0.000 0.850 343 R HN 0.412 nan 8.270 nan 0.000 0.433 344 R N 1.055 121.512 120.500 -0.071 0.000 2.080 344 R HA -0.132 4.208 4.340 -0.000 0.000 0.236 344 R C 2.182 178.476 176.300 -0.010 0.000 1.137 344 R CA 1.732 57.843 56.100 0.018 0.000 0.943 344 R CB -0.356 29.973 30.300 0.049 0.000 0.846 344 R HN 0.239 nan 8.270 nan 0.000 0.431 345 A N 1.033 123.860 122.820 0.013 0.000 1.978 345 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 345 A C 2.168 179.672 177.584 -0.132 0.000 1.170 345 A CA 1.712 53.761 52.037 0.020 0.000 0.636 345 A CB -0.417 18.684 19.000 0.169 0.000 0.810 345 A HN 0.420 nan 8.150 nan 0.000 0.448 346 M N -1.798 117.625 119.600 -0.296 0.000 2.619 346 M HA 0.039 4.518 4.480 -0.000 0.000 0.251 346 M C 0.191 176.306 176.300 -0.307 0.000 1.106 346 M CA 0.223 55.158 55.300 -0.609 0.000 1.086 346 M CB 0.243 32.409 32.600 -0.724 0.000 1.465 346 M HN 0.227 nan 8.290 nan 0.000 0.506 347 R N 0.321 120.734 120.500 -0.145 0.000 3.651 347 R HA -0.110 4.230 4.340 -0.000 0.000 0.292 347 R C -0.842 175.439 176.300 -0.032 0.000 1.161 347 R CA 0.444 56.509 56.100 -0.057 0.000 0.787 347 R CB -3.130 27.149 30.300 -0.034 0.000 1.249 347 R HN 0.414 nan 8.270 nan 0.000 0.476 348 L N 0.706 121.901 121.223 -0.047 0.000 2.453 348 L HA 0.159 4.499 4.340 -0.000 0.000 0.272 348 L C 1.325 178.303 176.870 0.180 0.000 1.182 348 L CA -0.303 54.556 54.840 0.031 0.000 0.858 348 L CB 0.102 42.130 42.059 -0.051 0.000 1.120 348 L HN 0.022 nan 8.230 nan 0.000 0.474 349 F N 3.279 123.260 119.950 0.052 0.000 2.548 349 F HA 0.097 4.624 4.527 -0.000 0.000 0.403 349 F C 1.263 177.097 175.800 0.055 0.000 1.004 349 F CA 1.454 59.480 58.000 0.042 0.000 1.177 349 F CB 0.232 39.245 39.000 0.022 0.000 0.974 349 F HN 0.725 nan 8.300 nan 0.000 0.541 350 G N 3.508 111.933 108.800 -0.624 0.000 2.141 350 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.242 350 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.242 350 G C -0.112 174.411 174.900 -0.628 0.000 0.982 350 G CA 0.043 44.787 45.100 -0.594 0.000 0.662 350 G HN 0.891 nan 8.290 nan 0.000 0.527 351 H N 0.000 118.977 119.070 -0.155 0.000 2.539 351 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 351 H CA 0.000 55.993 56.048 -0.092 0.000 1.023 351 H CB 0.000 29.726 29.762 -0.060 0.000 1.292 351 H HN 0.000 nan 8.280 nan 0.000 0.496