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 2xcq_1_A DATA FIRST_RESID 411 DATA SEQUENCE VASLPGKLAD CSSKSPEECE IFLVEGDSAG GSTKSGRDSR TQAILPLRGK DATA SEQUENCE ILNVXXXXXX XILNNNEIRQ MITAFGTGIG GDFDLAKARY HKIVIMTDAD DATA SEQUENCE VDGAHIRTLL LTFFYRFMRP LIEAGYVYIA QPPLYKLTQG KQKYYVYNDR DATA SEQUENCE ELDKLKSELN PTXXXSIARY KGLGEMNADQ LWETTMNPEH RALLQVKLED DATA SEQUENCE AXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXMSVI VARALPDVRD GLKPVHRRIL YGLNEQGMTP DATA SEQUENCE DKSYKKSARI VGDVMGKYHP HGDSSIYEAM VRMAQDFSYR YPLVDGQGNF DATA SEQUENCE GSMDGDGAAA MRYTEARMTK ITLELLRDIN KDTIDFIDNY DGNEREPSVL DATA SEQUENCE PARFPNLLAN GASGIAXXXA TNIPPHNLTE LINGVLSLSK NPDISIAELM DATA SEQUENCE EDIEGPDFPT AGLILGKSGI RRAYETGRGS IQMRSRAVIE ERGGGRQRIV DATA SEQUENCE VTEIPFQVNK ARMIEKIAEL VRDKKIDGIT DLRDETSLRT GVRVVIDVRK DATA SEQUENCE DANASVILNN LYKQTPLQTS FGVNMIALVN GRPKLINLKE ALVHYLEHQK DATA SEQUENCE TVVRRRTQYN LRKAKDRAHI LEGLRIALDH IDEIISTIRE SDTDKVAMES DATA SEQUENCE LQQRFKLSEK QAQAILDMRL RRLTGLERDK IEAEYNELLN YISELETILA DATA SEQUENCE DEEVLLQLVR DELTEIRDRF GDDRRTEIQL G 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 411 V HA 0.000 nan 4.120 nan 0.000 0.244 411 V C 0.000 176.104 176.094 0.017 0.000 1.182 411 V CA 0.000 62.305 62.300 0.008 0.000 1.235 411 V CB 0.000 31.827 31.823 0.006 0.000 1.184 412 A N 1.066 123.902 122.820 0.026 0.000 3.015 412 A HA 0.646 4.966 4.320 0.000 0.000 0.293 412 A C 0.747 178.381 177.584 0.084 0.000 1.572 412 A CA 0.600 52.668 52.037 0.052 0.000 1.274 412 A CB -0.523 18.516 19.000 0.065 0.000 1.156 412 A HN 1.540 nan 8.150 nan 0.000 0.562 413 S N 0.898 116.636 115.700 0.063 0.000 2.663 413 S HA 0.214 4.684 4.470 0.000 0.000 0.247 413 S C 0.502 175.136 174.600 0.057 0.000 1.074 413 S CA 0.163 58.406 58.200 0.071 0.000 0.955 413 S CB -0.699 62.530 63.200 0.047 0.000 0.901 413 S HN 0.837 nan 8.310 nan 0.000 0.505 414 L N 2.159 123.401 121.223 0.032 0.000 3.826 414 L HA -0.074 4.266 4.340 0.000 0.000 0.566 414 L C -2.731 174.148 176.870 0.015 0.000 1.217 414 L CA -0.447 54.401 54.840 0.014 0.000 0.823 414 L CB -1.126 40.936 42.059 0.006 0.000 1.381 414 L HN 0.275 nan 8.230 nan 0.000 0.825 415 P HA 0.223 nan 4.420 nan 0.000 0.274 415 P C 1.002 178.306 177.300 0.007 0.000 1.291 415 P CA 1.219 64.327 63.100 0.012 0.000 0.815 415 P CB 1.151 32.856 31.700 0.009 0.000 0.897 416 G N 3.258 112.064 108.800 0.009 0.000 2.238 416 G HA2 -0.254 3.706 3.960 0.000 0.000 0.217 416 G HA3 -0.254 3.706 3.960 0.000 0.000 0.217 416 G C 0.993 175.894 174.900 0.002 0.000 0.996 416 G CA 0.361 45.464 45.100 0.004 0.000 0.632 416 G HN 0.540 nan 8.290 nan 0.000 0.503 417 K N -0.609 119.792 120.400 0.002 0.000 2.399 417 K HA 0.579 4.899 4.320 0.000 0.000 0.196 417 K C 0.859 177.462 176.600 0.005 0.000 1.117 417 K CA 0.087 56.373 56.287 -0.002 0.000 0.965 417 K CB 0.299 32.791 32.500 -0.014 0.000 0.983 417 K HN 0.362 nan 8.250 nan 0.000 0.531 418 L N 0.772 122.004 121.223 0.016 0.000 2.334 418 L HA 0.598 4.939 4.340 0.000 0.000 0.275 418 L C -1.097 175.797 176.870 0.040 0.000 1.036 418 L CA -0.564 54.294 54.840 0.030 0.000 0.807 418 L CB 1.698 43.787 42.059 0.050 0.000 1.231 418 L HN 0.087 nan 8.230 nan 0.000 0.438 419 A N 2.783 125.631 122.820 0.047 0.000 2.444 419 A HA 0.427 4.747 4.320 0.000 0.000 0.332 419 A C -0.945 176.687 177.584 0.080 0.000 1.430 419 A CA -0.775 51.291 52.037 0.049 0.000 0.975 419 A CB -0.689 18.333 19.000 0.037 0.000 1.147 419 A HN 0.769 nan 8.150 nan 0.000 0.524 420 D N 1.147 121.596 120.400 0.082 0.000 2.399 420 D HA 0.346 4.986 4.640 0.000 0.000 0.241 420 D C 0.524 176.886 176.300 0.105 0.000 1.133 420 D CA -0.158 53.909 54.000 0.112 0.000 0.890 420 D CB 0.377 41.228 40.800 0.085 0.000 1.201 420 D HN 0.568 nan 8.370 nan 0.000 0.432 421 C N 0.097 119.479 119.300 0.136 0.000 2.435 421 C HA 0.676 5.136 4.460 0.000 0.000 0.333 421 C C 1.727 176.759 174.990 0.071 0.000 1.202 421 C CA -0.158 58.925 59.018 0.108 0.000 1.830 421 C CB 1.142 28.977 27.740 0.157 0.000 2.326 421 C HN 0.713 nan 8.230 nan 0.000 0.507 422 S N 1.975 117.702 115.700 0.045 0.000 2.387 422 S HA -0.056 4.414 4.470 0.000 0.000 0.226 422 S C 1.019 175.630 174.600 0.019 0.000 1.026 422 S CA 1.259 59.474 58.200 0.026 0.000 0.972 422 S CB -0.627 62.581 63.200 0.014 0.000 0.814 422 S HN 1.244 nan 8.310 nan 0.000 0.477 423 S N 0.889 116.603 115.700 0.024 0.000 2.562 423 S HA 0.244 4.714 4.470 0.000 0.000 0.281 423 S C 0.739 175.335 174.600 -0.005 0.000 1.333 423 S CA -0.457 57.749 58.200 0.010 0.000 1.052 423 S CB 0.493 63.703 63.200 0.017 0.000 0.884 423 S HN 0.436 nan 8.310 nan 0.000 0.506 424 K N 1.566 121.951 120.400 -0.024 0.000 2.391 424 K HA 0.098 4.418 4.320 0.000 0.000 0.197 424 K C 0.317 176.875 176.600 -0.069 0.000 1.087 424 K CA 0.143 56.403 56.287 -0.045 0.000 1.012 424 K CB 0.440 32.919 32.500 -0.034 0.000 0.925 424 K HN 0.723 nan 8.250 nan 0.000 0.547 425 S N 1.780 117.440 115.700 -0.068 0.000 2.465 425 S HA 0.233 4.703 4.470 0.000 0.000 0.279 425 S C -2.133 172.389 174.600 -0.130 0.000 1.201 425 S CA -1.188 56.955 58.200 -0.095 0.000 1.053 425 S CB 1.545 64.693 63.200 -0.087 0.000 0.953 425 S HN -0.189 nan 8.310 nan 0.000 0.488 426 P HA -0.283 nan 4.420 nan 0.000 0.217 426 P C 1.413 178.538 177.300 -0.292 0.000 1.162 426 P CA 2.080 65.065 63.100 -0.192 0.000 0.901 426 P CB -0.071 31.544 31.700 -0.142 0.000 0.793 427 E N 0.118 120.012 120.200 -0.511 0.000 2.095 427 E HA -0.307 4.043 4.350 0.000 0.000 0.212 427 E C 2.029 178.526 176.600 -0.172 0.000 1.044 427 E CA 1.713 57.828 56.400 -0.475 0.000 0.857 427 E CB -1.200 28.307 29.700 -0.321 0.000 0.764 427 E HN 0.309 nan 8.360 nan 0.000 0.462 428 E N 0.119 120.255 120.200 -0.107 0.000 2.118 428 E HA -0.098 4.252 4.350 0.000 0.000 0.195 428 E C 0.113 176.726 176.600 0.023 0.000 0.992 428 E CA 0.921 57.305 56.400 -0.027 0.000 0.804 428 E CB 0.107 29.796 29.700 -0.018 0.000 0.741 428 E HN 0.276 nan 8.360 nan 0.000 0.458 429 C N 1.865 121.178 119.300 0.023 0.000 2.463 429 C HA 0.289 4.750 4.460 0.000 0.000 0.380 429 C C -0.088 175.005 174.990 0.172 0.000 1.264 429 C CA -0.716 58.370 59.018 0.114 0.000 2.161 429 C CB 0.054 27.852 27.740 0.098 0.000 2.515 429 C HN 0.318 nan 8.230 nan 0.000 0.565 430 E N 1.826 122.164 120.200 0.230 0.000 2.317 430 E HA 0.725 5.075 4.350 0.000 0.000 0.270 430 E C -1.521 175.164 176.600 0.141 0.000 0.885 430 E CA -0.660 55.827 56.400 0.144 0.000 0.760 430 E CB 2.352 32.083 29.700 0.051 0.000 1.227 430 E HN 0.635 nan 8.360 nan 0.000 0.434 431 I N 1.735 122.248 120.570 -0.096 0.000 2.466 431 I HA 0.386 4.556 4.170 0.000 0.000 0.289 431 I C -1.713 174.283 176.117 -0.202 0.000 1.026 431 I CA -0.873 60.325 61.300 -0.170 0.000 1.078 431 I CB 0.872 38.522 38.000 -0.584 0.000 1.249 431 I HN 0.446 nan 8.210 nan 0.000 0.429 432 F N 7.544 127.501 119.950 0.011 0.000 2.410 432 F HA 0.420 4.947 4.527 0.000 0.000 0.349 432 F C -0.425 175.410 175.800 0.058 0.000 1.117 432 F CA -0.625 57.407 58.000 0.055 0.000 1.104 432 F CB 1.172 40.209 39.000 0.062 0.000 1.122 432 F HN 0.192 nan 8.300 nan 0.000 0.483 433 L N 5.498 126.846 121.223 0.208 0.000 2.259 433 L HA 0.492 4.832 4.340 0.000 0.000 0.288 433 L C -0.196 176.779 176.870 0.175 0.000 1.051 433 L CA -0.600 54.350 54.840 0.183 0.000 0.824 433 L CB 0.686 42.869 42.059 0.206 0.000 1.206 433 L HN 0.431 nan 8.230 nan 0.000 0.429 434 V N 0.256 120.256 119.914 0.144 0.000 2.914 434 V HA 0.650 4.770 4.120 0.000 0.000 0.314 434 V C -0.075 176.066 176.094 0.078 0.000 1.084 434 V CA -0.919 61.452 62.300 0.118 0.000 0.963 434 V CB 2.243 34.131 31.823 0.109 0.000 1.025 434 V HN 0.576 nan 8.190 nan 0.000 0.432 435 E N 2.018 122.257 120.200 0.065 0.000 2.290 435 E HA 0.303 4.654 4.350 0.000 0.000 0.277 435 E C 1.224 177.845 176.600 0.036 0.000 1.035 435 E CA 0.978 57.406 56.400 0.046 0.000 0.873 435 E CB 1.335 31.063 29.700 0.046 0.000 1.029 435 E HN 1.008 nan 8.360 nan 0.000 0.419 436 G N 5.157 113.973 108.800 0.026 0.000 2.863 436 G HA2 -0.358 3.602 3.960 0.000 0.000 0.217 436 G HA3 -0.358 3.602 3.960 0.000 0.000 0.217 436 G C 0.988 175.899 174.900 0.019 0.000 1.315 436 G CA 1.066 46.178 45.100 0.019 0.000 0.796 436 G HN 0.571 nan 8.290 nan 0.000 0.669 437 D N -0.337 120.073 120.400 0.018 0.000 2.239 437 D HA -0.098 4.542 4.640 0.000 0.000 0.202 437 D C 2.623 178.936 176.300 0.022 0.000 0.993 437 D CA 1.267 55.279 54.000 0.019 0.000 0.874 437 D CB -0.270 40.543 40.800 0.021 0.000 0.922 437 D HN 0.268 nan 8.370 nan 0.000 0.464 438 S N -1.124 114.591 115.700 0.026 0.000 2.335 438 S HA 0.044 4.514 4.470 0.000 0.000 0.217 438 S C 1.506 176.118 174.600 0.021 0.000 1.032 438 S CA 1.566 59.782 58.200 0.028 0.000 0.985 438 S CB 0.127 63.348 63.200 0.035 0.000 0.896 438 S HN 0.261 nan 8.310 nan 0.000 0.445 439 A N -0.850 121.982 122.820 0.021 0.000 2.733 439 A HA 0.571 4.891 4.320 0.000 0.000 0.232 439 A C 1.561 179.151 177.584 0.010 0.000 1.251 439 A CA 0.699 52.744 52.037 0.013 0.000 1.015 439 A CB -0.691 18.316 19.000 0.013 0.000 1.291 439 A HN 0.540 nan 8.150 nan 0.000 0.595 440 G N 0.981 109.790 108.800 0.015 0.000 2.628 440 G HA2 -0.049 3.911 3.960 0.000 0.000 0.217 440 G HA3 -0.049 3.911 3.960 0.000 0.000 0.217 440 G C 1.584 176.486 174.900 0.003 0.000 1.240 440 G CA 1.609 46.717 45.100 0.013 0.000 0.792 440 G HN 0.886 nan 8.290 nan 0.000 0.593 441 G N 0.665 109.466 108.800 0.001 0.000 2.491 441 G HA2 -0.247 3.713 3.960 0.000 0.000 0.218 441 G HA3 -0.247 3.713 3.960 0.000 0.000 0.218 441 G C 2.292 177.185 174.900 -0.011 0.000 1.180 441 G CA 2.534 47.632 45.100 -0.004 0.000 0.774 441 G HN 0.907 nan 8.290 nan 0.000 0.562 442 S N 0.402 116.096 115.700 -0.009 0.000 2.382 442 S HA -0.146 4.324 4.470 0.000 0.000 0.228 442 S C 2.305 176.887 174.600 -0.029 0.000 1.027 442 S CA 2.256 60.447 58.200 -0.014 0.000 0.991 442 S CB -0.961 62.234 63.200 -0.008 0.000 0.823 442 S HN 0.358 nan 8.310 nan 0.000 0.469 443 T N 1.880 116.412 114.554 -0.036 0.000 2.746 443 T HA -0.017 4.334 4.350 0.000 0.000 0.267 443 T C 1.763 176.416 174.700 -0.080 0.000 1.039 443 T CA 1.581 63.636 62.100 -0.074 0.000 1.142 443 T CB -0.357 68.471 68.868 -0.067 0.000 0.866 443 T HN 0.472 nan 8.240 nan 0.000 0.444 444 K N 0.854 121.227 120.400 -0.046 0.000 2.147 444 K HA 0.039 4.359 4.320 0.000 0.000 0.205 444 K C 2.726 179.293 176.600 -0.055 0.000 1.049 444 K CA 1.015 57.278 56.287 -0.040 0.000 0.936 444 K CB -0.117 32.372 32.500 -0.019 0.000 0.722 444 K HN 0.132 nan 8.250 nan 0.000 0.446 445 S N -0.632 115.037 115.700 -0.053 0.000 2.388 445 S HA -0.002 4.468 4.470 0.000 0.000 0.223 445 S C 1.892 176.433 174.600 -0.097 0.000 1.034 445 S CA 0.926 59.087 58.200 -0.064 0.000 0.963 445 S CB -0.026 63.148 63.200 -0.044 0.000 0.827 445 S HN 0.521 nan 8.310 nan 0.000 0.481 446 G N 2.130 110.883 108.800 -0.077 0.000 2.484 446 G HA2 -0.071 3.889 3.960 0.000 0.000 0.218 446 G HA3 -0.071 3.889 3.960 0.000 0.000 0.218 446 G C 0.624 175.416 174.900 -0.180 0.000 1.130 446 G CA 0.010 45.067 45.100 -0.072 0.000 0.784 446 G HN 0.584 nan 8.290 nan 0.000 0.543 447 R N 0.056 120.457 120.500 -0.164 0.000 2.738 447 R HA 0.408 4.748 4.340 0.000 0.000 0.275 447 R C -0.687 175.417 176.300 -0.328 0.000 1.121 447 R CA -0.439 55.557 56.100 -0.174 0.000 1.207 447 R CB 0.383 30.602 30.300 -0.135 0.000 1.141 447 R HN -0.077 nan 8.270 nan 0.000 0.571 448 D N 0.261 120.516 120.400 -0.242 0.000 2.485 448 D HA 0.036 4.676 4.640 0.000 0.000 0.221 448 D C 0.177 176.441 176.300 -0.059 0.000 1.112 448 D CA -0.376 53.484 54.000 -0.233 0.000 0.911 448 D CB 0.816 41.552 40.800 -0.107 0.000 1.019 448 D HN 0.651 nan 8.370 nan 0.000 0.516 449 S N 3.248 118.903 115.700 -0.075 0.000 2.603 449 S HA -0.010 4.460 4.470 0.000 0.000 0.229 449 S C 1.636 176.242 174.600 0.010 0.000 0.972 449 S CA 0.002 58.193 58.200 -0.014 0.000 0.935 449 S CB 0.024 63.207 63.200 -0.028 0.000 0.769 449 S HN 0.403 nan 8.310 nan 0.000 0.536 450 R N 1.019 121.520 120.500 0.002 0.000 2.092 450 R HA -0.032 4.308 4.340 0.000 0.000 0.231 450 R C 1.686 178.017 176.300 0.052 0.000 1.119 450 R CA 1.756 57.868 56.100 0.020 0.000 0.970 450 R CB -0.196 30.113 30.300 0.014 0.000 0.864 450 R HN 0.748 nan 8.270 nan 0.000 0.440 451 T N -4.605 109.998 114.554 0.082 0.000 3.186 451 T HA 0.203 4.553 4.350 0.000 0.000 0.292 451 T C 0.089 174.903 174.700 0.190 0.000 0.915 451 T CA -0.455 61.717 62.100 0.121 0.000 0.902 451 T CB 0.627 69.561 68.868 0.109 0.000 1.192 451 T HN -0.076 nan 8.240 nan 0.000 0.563 452 Q N 0.966 120.882 119.800 0.193 0.000 2.331 452 Q HA 0.788 5.128 4.340 0.000 0.000 0.267 452 Q C -1.070 175.075 176.000 0.241 0.000 1.006 452 Q CA -0.653 55.319 55.803 0.281 0.000 0.818 452 Q CB 2.185 31.093 28.738 0.284 0.000 1.276 452 Q HN 0.548 nan 8.270 nan 0.000 0.450 453 A N 2.836 125.828 122.820 0.287 0.000 2.340 453 A HA 0.788 5.108 4.320 0.000 0.000 0.331 453 A C -1.122 176.569 177.584 0.179 0.000 1.140 453 A CA -0.488 51.662 52.037 0.189 0.000 0.801 453 A CB 0.803 19.901 19.000 0.162 0.000 1.234 453 A HN 0.637 nan 8.150 nan 0.000 0.469 454 I N 1.337 121.972 120.570 0.109 0.000 2.447 454 I HA 0.343 4.513 4.170 0.000 0.000 0.287 454 I C -0.963 175.191 176.117 0.061 0.000 1.023 454 I CA -0.154 61.213 61.300 0.112 0.000 1.083 454 I CB 1.866 39.908 38.000 0.069 0.000 1.245 454 I HN 0.488 nan 8.210 nan 0.000 0.434 455 L N 10.248 131.510 121.223 0.065 0.000 2.313 455 L HA 0.650 4.990 4.340 0.000 0.000 0.273 455 L C -2.414 174.485 176.870 0.049 0.000 1.028 455 L CA -1.842 53.020 54.840 0.037 0.000 0.871 455 L CB 0.781 42.851 42.059 0.018 0.000 1.242 455 L HN 0.269 nan 8.230 nan 0.000 0.434 456 P HA 0.207 nan 4.420 nan 0.000 0.280 456 P C -0.862 176.447 177.300 0.015 0.000 1.300 456 P CA -0.055 63.064 63.100 0.032 0.000 0.785 456 P CB 0.629 32.343 31.700 0.023 0.000 0.874 457 L N 3.093 124.327 121.223 0.017 0.000 2.305 457 L HA 0.299 4.639 4.340 0.000 0.000 0.281 457 L C 1.329 178.196 176.870 -0.006 0.000 1.085 457 L CA -0.813 54.024 54.840 -0.005 0.000 0.813 457 L CB 0.696 42.751 42.059 -0.007 0.000 1.157 457 L HN 0.200 nan 8.230 nan 0.000 0.436 458 R N 1.575 122.064 120.500 -0.018 0.000 2.485 458 R HA 0.011 4.352 4.340 0.000 0.000 0.304 458 R C 1.233 177.523 176.300 -0.016 0.000 0.934 458 R CA 0.640 56.730 56.100 -0.016 0.000 1.102 458 R CB 0.245 30.529 30.300 -0.027 0.000 0.906 458 R HN 0.911 nan 8.270 nan 0.000 0.407 459 G N 2.406 111.205 108.800 -0.002 0.000 2.595 459 G HA2 -0.079 3.881 3.960 0.000 0.000 0.213 459 G HA3 -0.079 3.881 3.960 0.000 0.000 0.213 459 G C 1.059 175.960 174.900 0.002 0.000 1.141 459 G CA -0.053 45.049 45.100 0.004 0.000 0.806 459 G HN 0.623 nan 8.290 nan 0.000 0.530 460 K N 0.243 120.644 120.400 0.003 0.000 2.365 460 K HA 0.221 4.541 4.320 0.000 0.000 0.197 460 K C 2.000 178.595 176.600 -0.009 0.000 1.042 460 K CA 0.232 56.522 56.287 0.005 0.000 0.987 460 K CB 0.175 32.680 32.500 0.009 0.000 0.779 460 K HN 0.364 nan 8.250 nan 0.000 0.484 461 I N 0.841 121.398 120.570 -0.022 0.000 2.852 461 I HA -0.084 4.086 4.170 0.000 0.000 0.264 461 I C 1.318 177.404 176.117 -0.052 0.000 1.179 461 I CA 0.551 61.829 61.300 -0.036 0.000 1.480 461 I CB -0.051 37.922 38.000 -0.044 0.000 1.111 461 I HN -0.010 nan 8.210 nan 0.000 0.441 462 L N 2.804 123.994 121.223 -0.055 0.000 2.919 462 L HA 0.045 4.385 4.340 0.000 0.000 0.242 462 L C 0.964 177.790 176.870 -0.073 0.000 1.366 462 L CA -0.371 54.425 54.840 -0.074 0.000 1.212 462 L CB -1.251 40.762 42.059 -0.078 0.000 1.604 462 L HN 0.419 nan 8.230 nan 0.000 0.433 463 N N -0.390 118.280 118.700 -0.051 0.000 2.284 463 N HA 0.246 4.986 4.740 0.000 0.000 0.266 463 N C 0.542 176.016 175.510 -0.061 0.000 1.321 463 N CA 0.048 53.076 53.050 -0.037 0.000 0.933 463 N CB -0.105 38.382 38.487 -0.000 0.000 1.067 463 N HN -0.070 nan 8.380 nan 0.000 0.447 473 L N 1.478 122.741 121.223 0.066 0.000 3.467 473 L HA 0.378 4.718 4.340 0.000 0.000 0.315 473 L C 0.890 177.693 176.870 -0.112 0.000 1.184 473 L CA 0.672 55.539 54.840 0.045 0.000 1.124 473 L CB 0.302 42.505 42.059 0.239 0.000 1.585 473 L HN 0.953 nan 8.230 nan 0.000 0.617 474 N N 2.126 120.736 118.700 -0.150 0.000 2.549 474 N HA 0.003 4.743 4.740 0.000 0.000 0.267 474 N C -1.024 174.385 175.510 -0.168 0.000 1.182 474 N CA -0.060 52.849 53.050 -0.234 0.000 1.019 474 N CB -0.148 38.187 38.487 -0.253 0.000 1.380 474 N HN 0.528 nan 8.380 nan 0.000 0.505 475 N N 2.281 120.870 118.700 -0.186 0.000 2.466 475 N HA 0.026 4.766 4.740 0.000 0.000 0.294 475 N C 0.697 176.117 175.510 -0.150 0.000 1.129 475 N CA -0.491 52.474 53.050 -0.142 0.000 0.931 475 N CB 0.782 39.196 38.487 -0.122 0.000 1.193 475 N HN 0.388 nan 8.380 nan 0.000 0.500 476 N N 1.354 119.986 118.700 -0.112 0.000 2.144 476 N HA -0.313 4.427 4.740 0.000 0.000 0.195 476 N C 0.796 176.233 175.510 -0.122 0.000 1.006 476 N CA 1.794 54.782 53.050 -0.104 0.000 0.880 476 N CB -0.208 38.234 38.487 -0.075 0.000 1.018 476 N HN 0.591 nan 8.380 nan 0.000 0.443 477 E N 0.229 120.351 120.200 -0.130 0.000 2.047 477 E HA -0.078 4.272 4.350 0.000 0.000 0.191 477 E C 2.158 178.633 176.600 -0.209 0.000 0.987 477 E CA 0.733 57.047 56.400 -0.144 0.000 0.799 477 E CB -0.381 29.242 29.700 -0.127 0.000 0.752 477 E HN 0.483 nan 8.360 nan 0.000 0.449 478 I N 1.324 121.727 120.570 -0.278 0.000 2.286 478 I HA -0.274 3.897 4.170 0.000 0.000 0.248 478 I C 2.689 178.598 176.117 -0.347 0.000 1.115 478 I CA 1.075 62.122 61.300 -0.422 0.000 1.392 478 I CB -0.066 37.574 38.000 -0.600 0.000 1.065 478 I HN 0.013 nan 8.210 nan 0.000 0.418 479 R N 0.726 121.070 120.500 -0.260 0.000 2.117 479 R HA -0.255 4.085 4.340 0.000 0.000 0.243 479 R C 1.983 178.169 176.300 -0.190 0.000 1.143 479 R CA 1.890 57.869 56.100 -0.202 0.000 0.968 479 R CB -0.482 29.727 30.300 -0.151 0.000 0.863 479 R HN 0.393 nan 8.270 nan 0.000 0.444 480 Q N -0.027 119.660 119.800 -0.189 0.000 2.046 480 Q HA -0.046 4.294 4.340 0.000 0.000 0.200 480 Q C 2.293 178.129 176.000 -0.273 0.000 0.975 480 Q CA 2.042 57.739 55.803 -0.176 0.000 0.836 480 Q CB -0.125 28.535 28.738 -0.130 0.000 0.896 480 Q HN 0.373 nan 8.270 nan 0.000 0.428 481 M N 0.111 119.505 119.600 -0.344 0.000 2.088 481 M HA -0.253 4.227 4.480 0.000 0.000 0.256 481 M C 2.133 177.816 176.300 -1.028 0.000 1.071 481 M CA 1.648 56.577 55.300 -0.619 0.000 1.097 481 M CB -0.410 31.968 32.600 -0.369 0.000 1.315 481 M HN 0.252 nan 8.290 nan 0.000 0.406 482 I N -0.310 119.961 120.570 -0.499 0.000 2.179 482 I HA -0.288 3.882 4.170 0.000 0.000 0.242 482 I C 2.359 178.347 176.117 -0.214 0.000 1.088 482 I CA 1.875 63.011 61.300 -0.273 0.000 1.357 482 I CB -0.711 37.237 38.000 -0.087 0.000 1.051 482 I HN 0.420 nan 8.210 nan 0.000 0.409 483 T N -0.541 113.906 114.554 -0.178 0.000 3.007 483 T HA 0.034 4.384 4.350 0.000 0.000 0.270 483 T C 1.828 176.504 174.700 -0.039 0.000 1.107 483 T CA 0.828 62.880 62.100 -0.080 0.000 1.118 483 T CB -0.269 68.560 68.868 -0.065 0.000 0.889 483 T HN 0.388 nan 8.240 nan 0.000 0.506 484 A N 1.181 123.927 122.820 -0.124 0.000 1.898 484 A HA 0.262 4.582 4.320 0.000 0.000 0.214 484 A C 1.746 179.549 177.584 0.364 0.000 1.183 484 A CA 0.590 52.664 52.037 0.062 0.000 0.622 484 A CB -0.667 18.295 19.000 -0.064 0.000 0.824 484 A HN 0.371 nan 8.150 nan 0.000 0.444 485 F N -0.267 119.859 119.950 0.293 0.000 1.992 485 F HA 0.332 4.859 4.527 0.000 0.000 0.292 485 F C 2.022 177.953 175.800 0.218 0.000 1.192 485 F CA 0.826 59.035 58.000 0.349 0.000 1.157 485 F CB -1.326 37.846 39.000 0.286 0.000 0.981 485 F HN 0.432 nan 8.300 nan 0.000 0.483 486 G N -1.860 107.151 108.800 0.352 0.000 2.563 486 G HA2 0.300 4.260 3.960 0.000 0.000 0.068 486 G HA3 0.300 4.260 3.960 0.000 0.000 0.068 486 G C 0.290 175.293 174.900 0.172 0.000 1.001 486 G CA 0.801 46.018 45.100 0.194 0.000 1.188 486 G HN 0.699 nan 8.290 nan 0.000 0.512 487 T N -1.541 113.100 114.554 0.145 0.000 2.963 487 T HA 0.268 4.618 4.350 0.000 0.000 0.498 487 T C 1.766 176.539 174.700 0.122 0.000 0.982 487 T CA 3.528 65.710 62.100 0.136 0.000 1.949 487 T CB -1.147 67.839 68.868 0.196 0.000 1.296 487 T HN 2.810 nan 8.240 nan 0.000 0.458 488 G N 0.278 109.171 108.800 0.154 0.000 3.358 488 G HA2 0.443 4.403 3.960 0.000 0.000 0.106 488 G HA3 0.443 4.403 3.960 0.000 0.000 0.106 488 G C 0.238 175.235 174.900 0.161 0.000 1.614 488 G CA 0.572 45.750 45.100 0.130 0.000 1.046 488 G HN 1.744 nan 8.290 nan 0.000 0.320 489 I N -2.439 118.233 120.570 0.169 0.000 3.134 489 I HA 0.710 4.880 4.170 0.000 0.000 0.206 489 I C 1.903 178.142 176.117 0.204 0.000 0.520 489 I CA 0.195 61.612 61.300 0.195 0.000 2.828 489 I CB 0.080 38.209 38.000 0.215 0.000 1.338 489 I HN 0.411 nan 8.210 nan 0.000 0.479 490 G N 0.206 109.107 108.800 0.169 0.000 2.430 490 G HA2 0.247 4.207 3.960 0.000 0.000 0.216 490 G HA3 0.247 4.207 3.960 0.000 0.000 0.216 490 G C 0.899 175.950 174.900 0.252 0.000 1.146 490 G CA 0.534 45.736 45.100 0.169 0.000 0.793 490 G HN 0.779 nan 8.290 nan 0.000 0.537 491 G N 0.533 109.438 108.800 0.175 0.000 2.367 491 G HA2 0.411 4.371 3.960 0.000 0.000 0.280 491 G HA3 0.411 4.371 3.960 0.000 0.000 0.280 491 G C -0.704 174.267 174.900 0.118 0.000 1.175 491 G CA -0.124 45.059 45.100 0.138 0.000 1.001 491 G HN 0.312 nan 8.290 nan 0.000 0.437 492 D N 0.649 121.083 120.400 0.056 0.000 3.617 492 D HA -0.238 4.402 4.640 0.000 0.000 0.226 492 D C 0.749 177.007 176.300 -0.071 0.000 1.125 492 D CA 1.155 55.072 54.000 -0.138 0.000 1.083 492 D CB -0.779 39.960 40.800 -0.102 0.000 0.833 492 D HN 0.549 nan 8.370 nan 0.000 0.399 493 F N -0.303 119.669 119.950 0.037 0.000 2.243 493 F HA 0.191 4.719 4.527 0.000 0.000 0.287 493 F C 1.252 177.074 175.800 0.036 0.000 1.067 493 F CA -0.542 57.478 58.000 0.034 0.000 1.304 493 F CB -0.445 38.563 39.000 0.015 0.000 1.087 493 F HN -0.020 nan 8.300 nan 0.000 0.513 494 D N 1.615 121.944 120.400 -0.118 0.000 7.547 494 D HA -0.163 4.477 4.640 0.000 0.000 0.125 494 D C 0.850 177.191 176.300 0.069 0.000 1.148 494 D CA 0.604 54.595 54.000 -0.015 0.000 0.811 494 D CB 0.210 40.915 40.800 -0.158 0.000 1.599 494 D HN 0.279 nan 8.370 nan 0.000 0.920 495 L N 2.807 124.082 121.223 0.086 0.000 2.217 495 L HA -0.046 4.294 4.340 0.000 0.000 0.211 495 L C 2.309 179.260 176.870 0.136 0.000 1.107 495 L CA 1.125 56.001 54.840 0.061 0.000 0.783 495 L CB -0.136 41.872 42.059 -0.085 0.000 0.919 495 L HN 0.513 nan 8.230 nan 0.000 0.442 496 A N -0.977 121.910 122.820 0.111 0.000 2.252 496 A HA 0.013 4.333 4.320 0.000 0.000 0.207 496 A C 0.920 178.561 177.584 0.094 0.000 1.194 496 A CA 0.387 52.499 52.037 0.126 0.000 0.809 496 A CB -0.291 18.764 19.000 0.091 0.000 0.814 496 A HN 0.090 nan 8.150 nan 0.000 0.482 497 K N 0.472 120.922 120.400 0.082 0.000 2.182 497 K HA 0.548 4.868 4.320 0.000 0.000 0.262 497 K C 0.341 176.990 176.600 0.082 0.000 0.957 497 K CA 0.382 56.701 56.287 0.053 0.000 0.842 497 K CB 1.465 33.973 32.500 0.014 0.000 1.099 497 K HN 0.652 nan 8.250 nan 0.000 0.438 498 A N 2.223 125.070 122.820 0.045 0.000 6.880 498 A HA -0.258 4.062 4.320 0.000 0.000 0.254 498 A C 0.030 177.617 177.584 0.005 0.000 2.140 498 A CA 0.905 52.953 52.037 0.019 0.000 0.766 498 A CB -0.666 18.362 19.000 0.047 0.000 0.986 498 A HN 0.959 nan 8.150 nan 0.000 0.395 499 R N -0.987 119.428 120.500 -0.141 0.000 2.517 499 R HA 0.629 4.969 4.340 0.000 0.000 0.250 499 R C -0.273 175.868 176.300 -0.264 0.000 1.213 499 R CA -0.000 55.888 56.100 -0.353 0.000 1.146 499 R CB 0.027 29.872 30.300 -0.759 0.000 1.279 499 R HN 1.479 nan 8.270 nan 0.000 0.597 500 Y N -2.117 118.217 120.300 0.056 0.000 2.861 500 Y HA -0.162 4.388 4.550 0.000 0.000 0.091 500 Y C 0.298 176.110 175.900 -0.146 0.000 1.957 500 Y CA 0.094 58.192 58.100 -0.003 0.000 1.092 500 Y CB -1.965 36.522 38.460 0.044 0.000 1.742 500 Y HN 0.758 nan 8.280 nan 0.000 0.314 501 H N 1.053 119.945 119.070 -0.296 0.000 2.556 501 H HA 0.209 4.765 4.556 0.000 0.000 0.268 501 H C 0.107 175.025 175.328 -0.682 0.000 0.996 501 H CA 0.894 56.469 56.048 -0.788 0.000 1.157 501 H CB 0.460 29.910 29.762 -0.520 0.000 1.355 501 H HN 0.448 nan 8.280 nan 0.000 0.597 502 K N 0.223 120.504 120.400 -0.199 0.000 2.468 502 K HA 0.427 4.747 4.320 0.000 0.000 0.252 502 K C -1.284 175.215 176.600 -0.168 0.000 0.932 502 K CA -0.663 55.551 56.287 -0.123 0.000 0.794 502 K CB 2.834 35.422 32.500 0.146 0.000 1.241 502 K HN -0.113 nan 8.250 nan 0.000 0.428 503 I N 2.299 122.698 120.570 -0.285 0.000 2.418 503 I HA 0.241 4.411 4.170 0.000 0.000 0.287 503 I C -0.987 174.984 176.117 -0.242 0.000 1.008 503 I CA -0.862 60.269 61.300 -0.282 0.000 1.104 503 I CB 2.091 39.855 38.000 -0.394 0.000 1.264 503 I HN 0.230 nan 8.210 nan 0.000 0.438 504 V N 7.559 127.320 119.914 -0.256 0.000 2.350 504 V HA 0.420 4.540 4.120 0.000 0.000 0.285 504 V C 0.135 176.224 176.094 -0.009 0.000 1.014 504 V CA -0.560 61.625 62.300 -0.191 0.000 0.831 504 V CB 1.357 32.832 31.823 -0.579 0.000 1.000 504 V HN 0.469 nan 8.190 nan 0.000 0.433 505 I N 5.589 126.208 120.570 0.082 0.000 2.396 505 I HA 0.338 4.508 4.170 0.000 0.000 0.289 505 I C 0.145 176.354 176.117 0.154 0.000 1.056 505 I CA 0.467 61.856 61.300 0.149 0.000 1.365 505 I CB 0.767 38.872 38.000 0.174 0.000 1.407 505 I HN 0.540 nan 8.210 nan 0.000 0.509 506 M N 7.746 127.449 119.600 0.172 0.000 2.053 506 M HA 0.364 4.844 4.480 0.000 0.000 0.297 506 M C -0.840 175.532 176.300 0.121 0.000 0.921 506 M CA -0.263 55.137 55.300 0.165 0.000 0.918 506 M CB 1.165 33.906 32.600 0.233 0.000 1.499 506 M HN 0.723 nan 8.290 nan 0.000 0.422 507 T N -0.483 114.130 114.554 0.097 0.000 2.865 507 T HA 0.552 4.902 4.350 0.000 0.000 0.294 507 T C -0.509 174.227 174.700 0.061 0.000 1.119 507 T CA -1.050 61.098 62.100 0.079 0.000 1.007 507 T CB 1.453 70.372 68.868 0.084 0.000 1.225 507 T HN 0.400 nan 8.240 nan 0.000 0.515 508 D N -0.007 120.425 120.400 0.054 0.000 2.354 508 D HA 0.423 5.064 4.640 0.000 0.000 0.238 508 D C 1.423 177.749 176.300 0.043 0.000 1.250 508 D CA 0.169 54.194 54.000 0.043 0.000 0.911 508 D CB 0.461 41.288 40.800 0.045 0.000 1.163 508 D HN 0.751 nan 8.370 nan 0.000 0.456 509 A N 0.772 123.612 122.820 0.034 0.000 1.898 509 A HA -0.056 4.264 4.320 0.000 0.000 0.214 509 A C 0.955 178.559 177.584 0.033 0.000 1.183 509 A CA 0.963 53.017 52.037 0.029 0.000 0.622 509 A CB -0.437 18.571 19.000 0.015 0.000 0.824 509 A HN 0.713 nan 8.150 nan 0.000 0.444 510 D N 0.110 120.531 120.400 0.035 0.000 2.314 510 D HA 0.055 4.695 4.640 0.000 0.000 0.252 510 D C 1.747 178.066 176.300 0.031 0.000 1.295 510 D CA 0.753 54.772 54.000 0.032 0.000 0.995 510 D CB -0.047 40.774 40.800 0.035 0.000 1.125 510 D HN 0.436 nan 8.370 nan 0.000 0.537 511 V N -1.681 118.241 119.914 0.013 0.000 2.255 511 V HA -0.228 3.892 4.120 0.000 0.000 0.247 511 V C 1.705 177.801 176.094 0.003 0.000 1.051 511 V CA 2.125 64.416 62.300 -0.014 0.000 1.018 511 V CB -0.801 30.988 31.823 -0.057 0.000 0.641 511 V HN 0.431 nan 8.190 nan 0.000 0.445 512 D N 0.916 121.331 120.400 0.026 0.000 2.347 512 D HA 0.068 4.708 4.640 0.000 0.000 0.215 512 D C 2.011 178.385 176.300 0.123 0.000 0.976 512 D CA 1.338 55.388 54.000 0.083 0.000 0.884 512 D CB 0.197 41.038 40.800 0.068 0.000 0.915 512 D HN 0.647 nan 8.370 nan 0.000 0.526 513 G N -0.071 108.785 108.800 0.093 0.000 2.719 513 G HA2 0.140 4.100 3.960 0.000 0.000 0.211 513 G HA3 0.140 4.100 3.960 0.000 0.000 0.211 513 G C 1.430 176.388 174.900 0.097 0.000 1.140 513 G CA 0.589 45.741 45.100 0.087 0.000 0.790 513 G HN 0.269 nan 8.290 nan 0.000 0.529 514 A N -0.552 122.332 122.820 0.105 0.000 2.115 514 A HA 0.221 4.541 4.320 0.000 0.000 0.211 514 A C 1.729 179.405 177.584 0.153 0.000 1.169 514 A CA 0.776 52.877 52.037 0.108 0.000 0.787 514 A CB -0.588 18.462 19.000 0.083 0.000 0.858 514 A HN 0.456 nan 8.150 nan 0.000 0.474 515 H N -0.111 118.982 119.070 0.038 0.000 2.353 515 H HA -0.153 4.403 4.556 0.000 0.000 0.298 515 H C 1.630 176.983 175.328 0.041 0.000 1.103 515 H CA 1.624 57.694 56.048 0.035 0.000 1.293 515 H CB 0.163 29.942 29.762 0.028 0.000 1.372 515 H HN 0.362 nan 8.280 nan 0.000 0.501 516 I N 0.561 121.184 120.570 0.087 0.000 2.333 516 I HA -0.183 3.987 4.170 0.000 0.000 0.246 516 I C 2.673 178.822 176.117 0.053 0.000 1.106 516 I CA 0.964 62.279 61.300 0.025 0.000 1.411 516 I CB -1.171 36.858 38.000 0.048 0.000 1.082 516 I HN 0.265 nan 8.210 nan 0.000 0.420 517 R N 1.082 121.634 120.500 0.086 0.000 2.083 517 R HA -0.171 4.169 4.340 0.000 0.000 0.237 517 R C 2.214 178.578 176.300 0.107 0.000 1.137 517 R CA 2.373 58.535 56.100 0.104 0.000 0.951 517 R CB -0.433 29.928 30.300 0.101 0.000 0.851 517 R HN 0.255 nan 8.270 nan 0.000 0.434 518 T N 1.474 116.083 114.554 0.091 0.000 2.684 518 T HA -0.174 4.176 4.350 0.000 0.000 0.267 518 T C 1.745 176.493 174.700 0.080 0.000 1.036 518 T CA 1.541 63.692 62.100 0.084 0.000 1.148 518 T CB -0.248 68.670 68.868 0.084 0.000 0.863 518 T HN 0.265 nan 8.240 nan 0.000 0.436 519 L N -0.169 121.078 121.223 0.041 0.000 2.141 519 L HA 0.026 4.366 4.340 0.000 0.000 0.209 519 L C 2.142 179.063 176.870 0.085 0.000 1.094 519 L CA 0.941 55.798 54.840 0.029 0.000 0.763 519 L CB -0.131 41.892 42.059 -0.060 0.000 0.908 519 L HN 0.188 nan 8.230 nan 0.000 0.437 520 L N -1.021 120.258 121.223 0.093 0.000 2.095 520 L HA -0.152 4.188 4.340 0.000 0.000 0.204 520 L C 2.186 179.188 176.870 0.220 0.000 1.080 520 L CA 1.320 56.226 54.840 0.109 0.000 0.759 520 L CB -0.307 41.832 42.059 0.134 0.000 0.914 520 L HN 0.158 nan 8.230 nan 0.000 0.439 521 L N -1.364 120.021 121.223 0.270 0.000 1.955 521 L HA -0.281 4.059 4.340 0.000 0.000 0.213 521 L C 2.476 179.509 176.870 0.272 0.000 1.072 521 L CA 1.956 56.979 54.840 0.306 0.000 0.755 521 L CB -0.918 41.251 42.059 0.183 0.000 0.888 521 L HN 0.239 nan 8.230 nan 0.000 0.432 522 T N -0.056 114.622 114.554 0.207 0.000 2.620 522 T HA -0.299 4.052 4.350 0.000 0.000 0.267 522 T C 1.519 176.384 174.700 0.274 0.000 1.044 522 T CA 2.180 64.419 62.100 0.231 0.000 1.161 522 T CB -0.467 68.501 68.868 0.166 0.000 0.862 522 T HN 0.318 nan 8.240 nan 0.000 0.438 523 F N 1.198 121.213 119.950 0.108 0.000 2.043 523 F HA -0.125 4.402 4.527 0.000 0.000 0.297 523 F C 1.891 177.785 175.800 0.157 0.000 1.121 523 F CA 1.214 59.270 58.000 0.094 0.000 1.199 523 F CB -1.132 37.852 39.000 -0.027 0.000 0.968 523 F HN 0.216 nan 8.300 nan 0.000 0.478 524 F N -0.567 119.182 119.950 -0.335 0.000 2.063 524 F HA -0.360 4.167 4.527 0.000 0.000 0.298 524 F C 2.544 178.182 175.800 -0.270 0.000 1.105 524 F CA 1.907 59.651 58.000 -0.427 0.000 1.215 524 F CB -1.142 37.790 39.000 -0.113 0.000 0.972 524 F HN 0.234 nan 8.300 nan 0.000 0.483 525 Y N 1.278 121.582 120.300 0.006 0.000 2.181 525 Y HA -0.332 4.218 4.550 0.000 0.000 0.284 525 Y C 2.454 178.276 175.900 -0.129 0.000 1.179 525 Y CA 2.135 60.204 58.100 -0.052 0.000 1.179 525 Y CB -0.669 37.776 38.460 -0.025 0.000 0.973 525 Y HN 0.005 nan 8.280 nan 0.000 0.519 526 R N -1.019 119.173 120.500 -0.512 0.000 2.052 526 R HA -0.038 4.302 4.340 0.000 0.000 0.226 526 R C 1.757 177.676 176.300 -0.634 0.000 1.145 526 R CA 2.009 57.664 56.100 -0.743 0.000 0.952 526 R CB -0.683 29.192 30.300 -0.707 0.000 0.847 526 R HN 0.346 nan 8.270 nan 0.000 0.431 527 F N -0.400 119.374 119.950 -0.294 0.000 2.505 527 F HA 0.249 4.777 4.527 0.000 0.000 0.289 527 F C 1.313 177.022 175.800 -0.151 0.000 1.101 527 F CA 0.154 58.049 58.000 -0.175 0.000 1.446 527 F CB 0.424 39.401 39.000 -0.039 0.000 1.123 527 F HN -0.063 nan 8.300 nan 0.000 0.564 528 M N -0.143 119.421 119.600 -0.061 0.000 2.869 528 M HA 0.258 4.738 4.480 0.000 0.000 0.338 528 M C 1.019 177.296 176.300 -0.038 0.000 1.227 528 M CA -0.005 55.309 55.300 0.024 0.000 0.946 528 M CB 0.115 32.815 32.600 0.168 0.000 1.299 528 M HN 0.066 nan 8.290 nan 0.000 0.518 529 R N 2.082 122.533 120.500 -0.083 0.000 2.191 529 R HA -0.186 4.154 4.340 0.000 0.000 0.248 529 R C -0.883 175.360 176.300 -0.096 0.000 1.127 529 R CA 2.520 58.566 56.100 -0.091 0.000 0.943 529 R CB -1.378 28.855 30.300 -0.112 0.000 0.891 529 R HN 0.289 nan 8.270 nan 0.000 0.439 530 P HA -0.025 nan 4.420 nan 0.000 0.245 530 P C 0.655 177.794 177.300 -0.268 0.000 1.212 530 P CA 0.702 63.706 63.100 -0.160 0.000 0.774 530 P CB 0.057 31.680 31.700 -0.128 0.000 0.999 531 L N -0.840 120.223 121.223 -0.267 0.000 2.079 531 L HA -0.174 4.166 4.340 0.000 0.000 0.210 531 L C 2.174 178.786 176.870 -0.431 0.000 1.081 531 L CA 1.649 56.244 54.840 -0.408 0.000 0.752 531 L CB -0.554 41.250 42.059 -0.424 0.000 0.896 531 L HN 0.013 nan 8.230 nan 0.000 0.433 532 I N -0.725 119.656 120.570 -0.313 0.000 2.406 532 I HA -0.243 3.927 4.170 0.000 0.000 0.249 532 I C 2.416 178.406 176.117 -0.212 0.000 1.122 532 I CA 0.856 62.005 61.300 -0.251 0.000 1.431 532 I CB -0.131 37.778 38.000 -0.152 0.000 1.087 532 I HN 0.243 nan 8.210 nan 0.000 0.424 533 E N 1.105 121.188 120.200 -0.195 0.000 2.085 533 E HA -0.233 4.117 4.350 0.000 0.000 0.194 533 E C 2.209 178.687 176.600 -0.203 0.000 0.994 533 E CA 1.488 57.789 56.400 -0.164 0.000 0.801 533 E CB -0.042 29.573 29.700 -0.140 0.000 0.743 533 E HN 0.488 nan 8.360 nan 0.000 0.453 534 A N -0.187 122.434 122.820 -0.332 0.000 2.067 534 A HA 0.151 4.471 4.320 0.000 0.000 0.217 534 A C 1.636 179.037 177.584 -0.305 0.000 1.156 534 A CA 0.955 52.741 52.037 -0.418 0.000 0.683 534 A CB -0.469 17.999 19.000 -0.887 0.000 0.808 534 A HN 0.404 nan 8.150 nan 0.000 0.455 535 G N -1.606 107.015 108.800 -0.298 0.000 2.298 535 G HA2 -0.299 3.661 3.960 0.000 0.000 0.287 535 G HA3 -0.299 3.661 3.960 0.000 0.000 0.287 535 G C 0.388 175.143 174.900 -0.241 0.000 1.075 535 G CA 0.489 45.458 45.100 -0.218 0.000 0.960 535 G HN 0.634 nan 8.290 nan 0.000 0.502 536 Y N -0.931 119.067 120.300 -0.503 0.000 2.420 536 Y HA 0.076 4.626 4.550 0.000 0.000 0.292 536 Y C 1.979 177.320 175.900 -0.933 0.000 1.119 536 Y CA 0.435 58.167 58.100 -0.614 0.000 1.229 536 Y CB 0.460 38.634 38.460 -0.475 0.000 1.026 536 Y HN 0.423 nan 8.280 nan 0.000 0.554 537 V N -0.567 118.935 119.914 -0.687 0.000 2.439 537 V HA 0.099 4.219 4.120 0.000 0.000 0.271 537 V C -1.025 174.670 176.094 -0.665 0.000 1.040 537 V CA -0.632 61.260 62.300 -0.680 0.000 1.002 537 V CB -1.104 30.343 31.823 -0.627 0.000 1.000 537 V HN 0.052 nan 8.190 nan 0.000 0.477 538 Y N 3.756 123.978 120.300 -0.129 0.000 2.446 538 Y HA 0.683 5.233 4.550 0.000 0.000 0.338 538 Y C 0.405 176.279 175.900 -0.043 0.000 1.055 538 Y CA -1.093 56.959 58.100 -0.080 0.000 1.101 538 Y CB 1.996 40.405 38.460 -0.084 0.000 1.221 538 Y HN 0.511 nan 8.280 nan 0.000 0.460 539 I N 2.221 122.888 120.570 0.161 0.000 2.499 539 I HA 0.484 4.654 4.170 0.000 0.000 0.296 539 I C 0.133 176.325 176.117 0.126 0.000 0.992 539 I CA -0.711 60.663 61.300 0.123 0.000 1.297 539 I CB 1.337 39.397 38.000 0.100 0.000 1.410 539 I HN 0.713 nan 8.210 nan 0.000 0.507 540 A N 5.798 128.694 122.820 0.127 0.000 2.279 540 A HA 0.486 4.806 4.320 0.000 0.000 0.303 540 A C -0.446 177.201 177.584 0.105 0.000 1.108 540 A CA -0.504 51.611 52.037 0.129 0.000 0.830 540 A CB 0.726 19.834 19.000 0.180 0.000 1.106 540 A HN 0.687 nan 8.150 nan 0.000 0.493 541 Q N 1.119 120.983 119.800 0.107 0.000 2.607 541 Q HA 0.288 4.628 4.340 0.000 0.000 0.247 541 Q C -2.589 173.508 176.000 0.162 0.000 1.033 541 Q CA -1.653 54.229 55.803 0.131 0.000 0.769 541 Q CB 1.126 29.950 28.738 0.143 0.000 1.169 541 Q HN 0.454 nan 8.270 nan 0.000 0.508 542 P HA 0.104 nan 4.420 nan 0.000 0.270 542 P C -2.324 174.866 177.300 -0.182 0.000 1.223 542 P CA -0.983 62.076 63.100 -0.068 0.000 0.785 542 P CB -0.269 31.358 31.700 -0.122 0.000 0.923 543 P HA -0.023 nan 4.420 nan 0.000 0.271 543 P C 0.255 177.395 177.300 -0.267 0.000 1.233 543 P CA 0.140 62.772 63.100 -0.780 0.000 0.795 543 P CB 0.308 31.676 31.700 -0.553 0.000 0.936 544 L N -0.144 120.996 121.223 -0.138 0.000 2.730 544 L HA 0.365 4.705 4.340 0.000 0.000 0.236 544 L C -0.381 176.323 176.870 -0.277 0.000 1.061 544 L CA 0.837 55.581 54.840 -0.159 0.000 0.898 544 L CB 0.117 42.047 42.059 -0.214 0.000 1.270 544 L HN 0.243 nan 8.230 nan 0.000 0.500 545 Y N -0.129 120.240 120.300 0.115 0.000 2.477 545 Y HA 0.514 5.064 4.550 0.000 0.000 0.347 545 Y C -0.482 175.434 175.900 0.027 0.000 0.981 545 Y CA -0.912 57.203 58.100 0.025 0.000 1.033 545 Y CB 1.615 40.089 38.460 0.023 0.000 1.245 545 Y HN -0.174 nan 8.280 nan 0.000 0.455 546 K N 3.633 124.034 120.400 0.002 0.000 2.394 546 K HA 0.561 4.881 4.320 0.000 0.000 0.260 546 K C -1.890 174.715 176.600 0.009 0.000 0.967 546 K CA -0.298 55.985 56.287 -0.006 0.000 0.855 546 K CB 0.724 33.120 32.500 -0.173 0.000 1.101 546 K HN 0.722 nan 8.250 nan 0.000 0.433 547 L N 3.442 124.708 121.223 0.071 0.000 2.325 547 L HA 0.483 4.823 4.340 0.000 0.000 0.279 547 L C -0.402 176.456 176.870 -0.021 0.000 1.054 547 L CA -0.509 54.360 54.840 0.049 0.000 0.804 547 L CB 2.075 44.208 42.059 0.123 0.000 1.200 547 L HN 0.799 nan 8.230 nan 0.000 0.436 548 T N 1.566 116.095 114.554 -0.042 0.000 2.907 548 T HA 0.409 4.759 4.350 0.000 0.000 0.292 548 T C 0.057 174.714 174.700 -0.071 0.000 1.043 548 T CA -0.374 61.678 62.100 -0.080 0.000 1.003 548 T CB 2.738 71.564 68.868 -0.071 0.000 1.084 548 T HN 0.621 nan 8.240 nan 0.000 0.483 549 Q N 0.142 119.886 119.800 -0.093 0.000 2.536 549 Q HA 0.420 4.760 4.340 0.000 0.000 0.212 549 Q C 1.034 176.992 176.000 -0.070 0.000 0.743 549 Q CA 0.187 55.948 55.803 -0.070 0.000 0.929 549 Q CB 1.160 29.857 28.738 -0.068 0.000 1.313 549 Q HN 0.861 nan 8.270 nan 0.000 0.524 550 G N -0.258 108.488 108.800 -0.091 0.000 3.349 550 G HA2 0.056 4.016 3.960 0.000 0.000 0.155 550 G HA3 0.056 4.016 3.960 0.000 0.000 0.155 550 G C -0.528 174.313 174.900 -0.098 0.000 1.219 550 G CA -0.365 44.688 45.100 -0.079 0.000 1.356 550 G HN -0.131 nan 8.290 nan 0.000 0.687 551 K N 0.980 121.327 120.400 -0.090 0.000 2.643 551 K HA 0.080 4.400 4.320 0.000 0.000 0.193 551 K C 0.104 176.616 176.600 -0.147 0.000 1.027 551 K CA 0.559 56.788 56.287 -0.097 0.000 1.033 551 K CB -0.015 32.443 32.500 -0.069 0.000 0.827 551 K HN 0.278 nan 8.250 nan 0.000 0.500 552 Q N 1.422 121.105 119.800 -0.196 0.000 2.943 552 Q HA 0.097 4.437 4.340 0.000 0.000 0.327 552 Q C -1.029 174.700 176.000 -0.452 0.000 0.937 552 Q CA -0.172 55.435 55.803 -0.327 0.000 0.914 552 Q CB 1.098 29.670 28.738 -0.277 0.000 1.339 552 Q HN 0.219 nan 8.270 nan 0.000 0.417 553 K N -0.119 120.033 120.400 -0.412 0.000 2.090 553 K HA 0.516 4.836 4.320 0.000 0.000 0.249 553 K C -0.596 175.716 176.600 -0.481 0.000 0.995 553 K CA -0.490 55.573 56.287 -0.372 0.000 0.914 553 K CB 1.474 33.823 32.500 -0.251 0.000 1.057 553 K HN 0.099 nan 8.250 nan 0.000 0.462 554 Y N 0.214 120.395 120.300 -0.199 0.000 2.457 554 Y HA 0.266 4.816 4.550 0.000 0.000 0.343 554 Y C -1.223 174.612 175.900 -0.108 0.000 0.994 554 Y CA -1.345 56.660 58.100 -0.159 0.000 1.031 554 Y CB 1.952 40.385 38.460 -0.045 0.000 1.246 554 Y HN 0.451 nan 8.280 nan 0.000 0.449 555 Y N 2.778 123.258 120.300 0.300 0.000 2.369 555 Y HA 0.533 5.083 4.550 0.000 0.000 0.337 555 Y C -0.288 175.688 175.900 0.126 0.000 0.961 555 Y CA -1.203 56.989 58.100 0.153 0.000 1.186 555 Y CB 0.985 39.516 38.460 0.119 0.000 1.139 555 Y HN 0.185 nan 8.280 nan 0.000 0.494 556 V N 3.608 123.650 119.914 0.214 0.000 3.001 556 V HA 0.289 4.409 4.120 0.000 0.000 0.314 556 V C -0.700 175.466 176.094 0.120 0.000 1.099 556 V CA -0.814 61.635 62.300 0.249 0.000 0.989 556 V CB 2.098 34.059 31.823 0.231 0.000 1.040 556 V HN 0.621 nan 8.190 nan 0.000 0.434 557 Y N 1.472 121.862 120.300 0.149 0.000 2.453 557 Y HA 0.318 4.868 4.550 0.000 0.000 0.247 557 Y C 0.675 176.642 175.900 0.112 0.000 1.124 557 Y CA -0.690 57.477 58.100 0.111 0.000 1.243 557 Y CB 0.345 38.841 38.460 0.061 0.000 1.213 557 Y HN 0.914 nan 8.280 nan 0.000 0.523 558 N N -2.588 116.280 118.700 0.281 0.000 3.127 558 N HA 0.093 4.833 4.740 0.000 0.000 0.239 558 N C -0.493 175.164 175.510 0.244 0.000 1.407 558 N CA -0.484 52.705 53.050 0.230 0.000 0.891 558 N CB 0.456 39.039 38.487 0.160 0.000 1.447 558 N HN -0.189 nan 8.380 nan 0.000 0.507 559 D N 0.325 120.860 120.400 0.225 0.000 2.123 559 D HA -0.182 4.458 4.640 0.000 0.000 0.196 559 D C 1.235 177.568 176.300 0.054 0.000 0.992 559 D CA 1.590 55.683 54.000 0.154 0.000 0.833 559 D CB -0.032 40.846 40.800 0.129 0.000 0.954 559 D HN 0.609 nan 8.370 nan 0.000 0.455 560 R N 1.320 121.857 120.500 0.061 0.000 2.120 560 R HA -0.062 4.278 4.340 0.000 0.000 0.234 560 R C 2.010 178.322 176.300 0.021 0.000 1.123 560 R CA 0.853 56.972 56.100 0.031 0.000 0.975 560 R CB -0.400 29.920 30.300 0.034 0.000 0.866 560 R HN 0.253 nan 8.270 nan 0.000 0.446 561 E N 0.734 120.960 120.200 0.044 0.000 2.208 561 E HA -0.120 4.230 4.350 0.000 0.000 0.193 561 E C 1.741 178.336 176.600 -0.008 0.000 0.988 561 E CA 0.518 56.937 56.400 0.032 0.000 0.828 561 E CB 0.053 29.806 29.700 0.089 0.000 0.763 561 E HN 0.180 nan 8.360 nan 0.000 0.478 562 L N 1.282 122.489 121.223 -0.027 0.000 2.072 562 L HA -0.157 4.183 4.340 0.000 0.000 0.205 562 L C 2.041 178.852 176.870 -0.099 0.000 1.079 562 L CA 1.688 56.463 54.840 -0.108 0.000 0.752 562 L CB -0.254 41.637 42.059 -0.279 0.000 0.906 562 L HN 0.095 nan 8.230 nan 0.000 0.436 563 D N -0.358 119.998 120.400 -0.074 0.000 2.133 563 D HA -0.299 4.342 4.640 0.000 0.000 0.195 563 D C 2.012 178.286 176.300 -0.044 0.000 0.997 563 D CA 1.424 55.393 54.000 -0.053 0.000 0.840 563 D CB 0.048 40.828 40.800 -0.035 0.000 0.947 563 D HN 0.343 nan 8.370 nan 0.000 0.452 564 K N -0.123 120.251 120.400 -0.042 0.000 1.985 564 K HA -0.166 4.154 4.320 0.000 0.000 0.210 564 K C 2.455 179.020 176.600 -0.058 0.000 1.047 564 K CA 0.764 57.026 56.287 -0.041 0.000 0.932 564 K CB -0.261 32.217 32.500 -0.036 0.000 0.716 564 K HN 0.149 nan 8.250 nan 0.000 0.439 565 L N 1.223 122.391 121.223 -0.091 0.000 2.131 565 L HA -0.072 4.268 4.340 0.000 0.000 0.206 565 L C 2.298 179.129 176.870 -0.065 0.000 1.087 565 L CA 1.387 56.144 54.840 -0.139 0.000 0.767 565 L CB -0.465 41.398 42.059 -0.326 0.000 0.917 565 L HN 0.051 nan 8.230 nan 0.000 0.441 566 K N 0.036 120.410 120.400 -0.045 0.000 1.985 566 K HA -0.070 4.250 4.320 0.000 0.000 0.210 566 K C 1.274 177.872 176.600 -0.003 0.000 1.047 566 K CA 1.383 57.666 56.287 -0.007 0.000 0.932 566 K CB -0.801 31.682 32.500 -0.029 0.000 0.716 566 K HN 0.203 nan 8.250 nan 0.000 0.439 567 S N 0.774 116.464 115.700 -0.017 0.000 3.716 567 S HA 0.060 4.530 4.470 0.000 0.000 0.254 567 S C 0.174 174.770 174.600 -0.005 0.000 1.209 567 S CA 0.401 58.594 58.200 -0.011 0.000 1.026 567 S CB -0.553 62.638 63.200 -0.016 0.000 1.625 567 S HN 0.403 nan 8.310 nan 0.000 0.500 568 E N 1.740 121.944 120.200 0.006 0.000 1.376 568 E HA 0.059 4.409 4.350 0.000 0.000 0.202 568 E C -0.594 176.024 176.600 0.030 0.000 0.934 568 E CA -0.137 56.271 56.400 0.014 0.000 0.997 568 E CB -0.125 29.580 29.700 0.008 0.000 4.505 568 E HN 0.532 nan 8.360 nan 0.000 0.688 569 L N 3.210 124.456 121.223 0.039 0.000 2.385 569 L HA 0.147 4.487 4.340 0.000 0.000 0.281 569 L C 0.863 177.751 176.870 0.029 0.000 1.106 569 L CA -0.184 54.686 54.840 0.051 0.000 0.856 569 L CB 0.267 42.363 42.059 0.062 0.000 1.186 569 L HN 0.155 nan 8.230 nan 0.000 0.453 570 N N 3.622 122.339 118.700 0.027 0.000 2.060 570 N HA -0.167 4.573 4.740 0.000 0.000 0.195 570 N C -0.786 174.729 175.510 0.008 0.000 1.028 570 N CA 1.617 54.677 53.050 0.016 0.000 0.861 570 N CB -0.870 37.627 38.487 0.015 0.000 1.029 570 N HN 0.570 nan 8.380 nan 0.000 0.428 571 P HA 0.253 nan 4.420 nan 0.000 0.264 571 P C -0.485 176.814 177.300 -0.003 0.000 1.259 571 P CA 0.198 63.296 63.100 -0.002 0.000 0.841 571 P CB 0.311 32.007 31.700 -0.007 0.000 1.232 577 I N 5.251 125.816 120.570 -0.008 0.000 2.243 577 I HA 0.571 4.741 4.170 0.000 0.000 0.297 577 I C 0.145 176.286 176.117 0.040 0.000 1.161 577 I CA 0.110 61.415 61.300 0.008 0.000 1.298 577 I CB -0.129 37.864 38.000 -0.010 0.000 1.475 577 I HN 0.698 nan 8.210 nan 0.000 0.561 578 A N 7.768 130.612 122.820 0.040 0.000 2.291 578 A HA 0.482 4.802 4.320 0.000 0.000 0.311 578 A C -0.075 177.506 177.584 -0.005 0.000 1.224 578 A CA -0.781 51.253 52.037 -0.006 0.000 0.821 578 A CB 0.561 19.502 19.000 -0.099 0.000 1.172 578 A HN 0.761 nan 8.150 nan 0.000 0.494 579 R N 3.337 123.845 120.500 0.014 0.000 2.267 579 R HA 0.292 4.632 4.340 0.000 0.000 0.319 579 R C -1.371 174.844 176.300 -0.142 0.000 1.067 579 R CA -0.183 55.849 56.100 -0.113 0.000 0.936 579 R CB 0.210 30.477 30.300 -0.055 0.000 1.006 579 R HN 0.707 nan 8.270 nan 0.000 0.452 580 Y N 4.182 124.399 120.300 -0.138 0.000 2.526 580 Y HA -0.047 4.503 4.550 0.000 0.000 0.330 580 Y C 1.191 177.034 175.900 -0.095 0.000 1.156 580 Y CA 0.340 58.386 58.100 -0.089 0.000 1.419 580 Y CB 1.260 39.658 38.460 -0.103 0.000 1.250 580 Y HN 0.691 nan 8.280 nan 0.000 0.540 581 K N 1.446 121.940 120.400 0.158 0.000 2.462 581 K HA 0.266 4.586 4.320 0.000 0.000 0.201 581 K C 0.327 176.966 176.600 0.065 0.000 1.268 581 K CA 0.196 56.528 56.287 0.075 0.000 0.933 581 K CB 1.011 33.547 32.500 0.061 0.000 1.162 581 K HN 0.733 nan 8.250 nan 0.000 0.527 582 G N -0.204 108.643 108.800 0.079 0.000 2.519 582 G HA2 0.349 4.309 3.960 0.000 0.000 0.307 582 G HA3 0.349 4.309 3.960 0.000 0.000 0.307 582 G C 0.095 175.004 174.900 0.015 0.000 1.266 582 G CA -0.636 44.492 45.100 0.046 0.000 0.970 582 G HN 0.021 nan 8.290 nan 0.000 0.481 583 L N 1.359 122.576 121.223 -0.010 0.000 2.201 583 L HA 0.046 4.386 4.340 0.000 0.000 0.212 583 L C 2.798 179.652 176.870 -0.027 0.000 1.105 583 L CA 1.258 56.070 54.840 -0.047 0.000 0.775 583 L CB -0.024 42.019 42.059 -0.027 0.000 0.913 583 L HN 0.687 nan 8.230 nan 0.000 0.440 584 G N -0.718 108.085 108.800 0.006 0.000 2.625 584 G HA2 -0.160 3.800 3.960 0.000 0.000 0.214 584 G HA3 -0.160 3.800 3.960 0.000 0.000 0.214 584 G C 1.313 176.233 174.900 0.033 0.000 1.132 584 G CA 0.071 45.181 45.100 0.016 0.000 0.782 584 G HN 0.419 nan 8.290 nan 0.000 0.538 585 E N -0.565 119.666 120.200 0.052 0.000 2.347 585 E HA 0.084 4.434 4.350 0.000 0.000 0.196 585 E C 0.848 177.511 176.600 0.104 0.000 1.008 585 E CA 0.239 56.707 56.400 0.114 0.000 0.852 585 E CB 0.080 29.919 29.700 0.231 0.000 0.783 585 E HN 0.414 nan 8.360 nan 0.000 0.505 586 M N 1.007 120.614 119.600 0.013 0.000 2.404 586 M HA 0.193 4.673 4.480 0.000 0.000 0.338 586 M C -0.061 176.243 176.300 0.008 0.000 1.150 586 M CA -0.742 54.547 55.300 -0.018 0.000 1.016 586 M CB 1.425 33.929 32.600 -0.160 0.000 1.672 586 M HN -0.157 nan 8.290 nan 0.000 0.448 587 N N 0.552 119.273 118.700 0.034 0.000 2.317 587 N HA 0.228 4.968 4.740 0.000 0.000 0.245 587 N C 0.634 176.158 175.510 0.024 0.000 1.294 587 N CA 0.125 53.198 53.050 0.037 0.000 0.924 587 N CB 0.659 39.182 38.487 0.059 0.000 1.186 587 N HN 0.787 nan 8.380 nan 0.000 0.495 588 A N 0.757 123.593 122.820 0.028 0.000 1.835 588 A HA -0.197 4.123 4.320 0.000 0.000 0.215 588 A C 1.520 179.153 177.584 0.083 0.000 1.199 588 A CA 2.057 54.113 52.037 0.032 0.000 0.615 588 A CB -0.797 18.210 19.000 0.011 0.000 0.838 588 A HN 0.844 nan 8.150 nan 0.000 0.444 589 D N -0.359 120.100 120.400 0.097 0.000 2.221 589 D HA -0.225 4.415 4.640 0.000 0.000 0.204 589 D C 1.753 178.161 176.300 0.179 0.000 0.982 589 D CA 1.699 55.807 54.000 0.180 0.000 0.857 589 D CB -0.711 40.179 40.800 0.149 0.000 0.934 589 D HN 0.635 nan 8.370 nan 0.000 0.475 590 Q N 0.080 119.934 119.800 0.089 0.000 2.079 590 Q HA 0.068 4.408 4.340 0.000 0.000 0.200 590 Q C 2.570 178.517 176.000 -0.087 0.000 0.974 590 Q CA 0.542 56.343 55.803 -0.003 0.000 0.840 590 Q CB -0.102 28.641 28.738 0.009 0.000 0.898 590 Q HN 0.263 nan 8.270 nan 0.000 0.430 591 L N 0.181 121.378 121.223 -0.043 0.000 2.012 591 L HA -0.227 4.113 4.340 0.000 0.000 0.210 591 L C 2.216 179.094 176.870 0.013 0.000 1.073 591 L CA 1.498 56.304 54.840 -0.056 0.000 0.748 591 L CB -0.517 41.520 42.059 -0.037 0.000 0.891 591 L HN 0.617 nan 8.230 nan 0.000 0.431 592 W N 1.247 122.492 121.300 -0.091 0.000 2.304 592 W HA -0.266 4.394 4.660 0.000 0.000 0.328 592 W C 2.221 178.728 176.519 -0.020 0.000 1.242 592 W CA 1.468 58.774 57.345 -0.064 0.000 1.243 592 W CB -0.301 29.135 29.460 -0.040 0.000 1.170 592 W HN 0.136 nan 8.180 nan 0.000 0.460 593 E N -0.032 120.014 120.200 -0.256 0.000 2.097 593 E HA -0.241 4.109 4.350 0.000 0.000 0.196 593 E C 2.152 178.595 176.600 -0.262 0.000 1.000 593 E CA 2.903 59.093 56.400 -0.351 0.000 0.804 593 E CB -0.994 28.631 29.700 -0.126 0.000 0.740 593 E HN 0.538 nan 8.360 nan 0.000 0.454 594 T N -2.559 111.855 114.554 -0.234 0.000 2.894 594 T HA 0.013 4.363 4.350 0.000 0.000 0.258 594 T C 1.881 176.551 174.700 -0.050 0.000 1.043 594 T CA 1.426 63.431 62.100 -0.158 0.000 1.141 594 T CB -0.170 68.489 68.868 -0.348 0.000 0.873 594 T HN 0.011 nan 8.240 nan 0.000 0.449 595 T N 0.760 115.260 114.554 -0.091 0.000 2.990 595 T HA 0.413 4.763 4.350 0.000 0.000 0.249 595 T C 1.649 176.358 174.700 0.015 0.000 1.039 595 T CA 0.069 62.161 62.100 -0.014 0.000 1.036 595 T CB 0.107 68.961 68.868 -0.022 0.000 0.994 595 T HN 0.310 nan 8.240 nan 0.000 0.489 596 M N 0.318 119.878 119.600 -0.065 0.000 2.296 596 M HA 0.321 4.801 4.480 0.000 0.000 0.291 596 M C 0.294 176.521 176.300 -0.121 0.000 1.013 596 M CA -0.210 55.094 55.300 0.008 0.000 1.089 596 M CB 0.144 32.704 32.600 -0.066 0.000 1.677 596 M HN -0.036 nan 8.290 nan 0.000 0.584 597 N N 3.237 121.602 118.700 -0.559 0.000 2.416 597 N HA 0.114 4.854 4.740 0.000 0.000 0.265 597 N C -2.060 173.222 175.510 -0.381 0.000 1.195 597 N CA -1.618 50.865 53.050 -0.944 0.000 0.943 597 N CB 1.067 38.659 38.487 -1.493 0.000 1.115 597 N HN -0.165 nan 8.380 nan 0.000 0.481 598 P HA -0.210 nan 4.420 nan 0.000 0.218 598 P C 0.467 177.669 177.300 -0.163 0.000 1.150 598 P CA 1.480 64.523 63.100 -0.095 0.000 0.841 598 P CB 0.370 32.059 31.700 -0.017 0.000 0.784 599 E N -1.441 118.605 120.200 -0.256 0.000 2.004 599 E HA -0.176 4.174 4.350 0.000 0.000 0.193 599 E C 1.997 178.390 176.600 -0.346 0.000 0.985 599 E CA 1.143 57.337 56.400 -0.343 0.000 0.832 599 E CB -0.684 28.710 29.700 -0.509 0.000 0.787 599 E HN 0.446 nan 8.360 nan 0.000 0.466 600 H N 0.628 119.587 119.070 -0.185 0.000 2.428 600 H HA -0.055 4.501 4.556 0.000 0.000 0.296 600 H C 2.215 177.432 175.328 -0.186 0.000 1.062 600 H CA 1.294 57.242 56.048 -0.167 0.000 1.350 600 H CB -0.152 29.515 29.762 -0.159 0.000 1.403 600 H HN 0.137 nan 8.280 nan 0.000 0.533 601 R N 2.089 122.527 120.500 -0.104 0.000 2.235 601 R HA -0.148 4.192 4.340 0.000 0.000 0.222 601 R C 0.411 176.640 176.300 -0.119 0.000 1.095 601 R CA 1.305 57.346 56.100 -0.100 0.000 0.863 601 R CB -0.656 29.589 30.300 -0.091 0.000 0.824 601 R HN 0.230 nan 8.270 nan 0.000 0.432 602 A N 0.524 123.268 122.820 -0.126 0.000 2.050 602 A HA -0.001 4.319 4.320 0.000 0.000 0.273 602 A C 0.051 177.576 177.584 -0.099 0.000 1.260 602 A CA 0.328 52.282 52.037 -0.138 0.000 0.657 602 A CB -1.677 17.211 19.000 -0.188 0.000 1.412 602 A HN 0.429 nan 8.150 nan 0.000 0.281 603 L N 1.052 122.197 121.223 -0.131 0.000 2.945 603 L HA 0.903 5.243 4.340 0.000 0.000 0.171 603 L C 0.720 177.549 176.870 -0.068 0.000 1.669 603 L CA -0.920 53.860 54.840 -0.100 0.000 1.963 603 L CB 0.338 42.277 42.059 -0.201 0.000 2.719 603 L HN 0.726 nan 8.230 nan 0.000 0.570 604 L N -0.364 120.853 121.223 -0.010 0.000 2.641 604 L HA 0.298 4.638 4.340 0.000 0.000 0.261 604 L C -1.063 175.964 176.870 0.262 0.000 0.926 604 L CA -0.111 54.775 54.840 0.076 0.000 0.917 604 L CB 2.207 44.313 42.059 0.078 0.000 1.361 604 L HN 0.415 nan 8.230 nan 0.000 0.417 605 Q N 1.846 121.796 119.800 0.251 0.000 2.259 605 Q HA 0.624 4.964 4.340 0.000 0.000 0.249 605 Q C -0.990 175.063 176.000 0.089 0.000 0.914 605 Q CA -0.657 55.310 55.803 0.273 0.000 0.904 605 Q CB 1.780 30.658 28.738 0.233 0.000 1.213 605 Q HN 0.507 nan 8.270 nan 0.000 0.428 606 V N 2.332 122.249 119.914 0.004 0.000 2.743 606 V HA 0.349 4.469 4.120 0.000 0.000 0.301 606 V C 0.268 176.338 176.094 -0.040 0.000 1.057 606 V CA -0.364 61.923 62.300 -0.022 0.000 1.006 606 V CB 1.582 33.378 31.823 -0.046 0.000 1.024 606 V HN 0.901 nan 8.190 nan 0.000 0.473 607 K N 1.177 121.559 120.400 -0.029 0.000 2.601 607 K HA 0.415 4.735 4.320 0.000 0.000 0.214 607 K C -0.803 175.773 176.600 -0.040 0.000 1.628 607 K CA -0.205 56.061 56.287 -0.035 0.000 1.036 607 K CB 0.865 33.351 32.500 -0.024 0.000 1.352 607 K HN 0.460 nan 8.250 nan 0.000 0.607 608 L N 0.992 122.190 121.223 -0.041 0.000 2.327 608 L HA 0.357 4.697 4.340 0.000 0.000 0.258 608 L C -0.758 176.060 176.870 -0.087 0.000 1.024 608 L CA -0.639 54.163 54.840 -0.063 0.000 0.825 608 L CB 2.036 44.065 42.059 -0.049 0.000 1.386 608 L HN -0.119 nan 8.230 nan 0.000 0.417 609 E N 0.034 120.146 120.200 -0.147 0.000 2.371 609 E HA 0.491 4.841 4.350 0.000 0.000 0.257 609 E C -0.374 176.150 176.600 -0.126 0.000 1.134 609 E CA 0.549 56.814 56.400 -0.224 0.000 0.919 609 E CB 0.411 29.890 29.700 -0.368 0.000 1.025 609 E HN 0.679 nan 8.360 nan 0.000 0.438 610 D N -0.618 119.715 120.400 -0.112 0.000 2.564 610 D HA 0.857 5.497 4.640 0.000 0.000 0.273 610 D C -0.254 176.014 176.300 -0.053 0.000 1.192 610 D CA -0.029 53.944 54.000 -0.046 0.000 1.080 610 D CB 1.152 41.956 40.800 0.007 0.000 1.160 610 D HN 0.577 nan 8.370 nan 0.000 0.607 1028 S N 0.010 115.712 115.700 0.004 0.000 3.608 1028 S HA 0.259 4.729 4.470 0.000 0.000 0.234 1028 S C 1.221 175.826 174.600 0.007 0.000 1.077 1028 S CA 0.761 58.966 58.200 0.008 0.000 0.827 1028 S CB -0.158 63.051 63.200 0.015 0.000 0.964 1028 S HN 0.167 nan 8.310 nan 0.000 0.547 1029 V N 2.775 122.693 119.914 0.007 0.000 2.488 1029 V HA 0.063 4.183 4.120 0.000 0.000 0.246 1029 V C 2.452 178.544 176.094 -0.004 0.000 1.046 1029 V CA 1.438 63.742 62.300 0.006 0.000 1.053 1029 V CB -0.841 30.988 31.823 0.010 0.000 0.679 1029 V HN 0.597 nan 8.190 nan 0.000 0.458 1030 I N 0.916 121.478 120.570 -0.013 0.000 2.143 1030 I HA -0.250 3.920 4.170 0.000 0.000 0.245 1030 I C 2.428 178.538 176.117 -0.010 0.000 1.068 1030 I CA 2.274 63.562 61.300 -0.021 0.000 1.326 1030 I CB -0.365 37.615 38.000 -0.033 0.000 1.028 1030 I HN 0.186 nan 8.210 nan 0.000 0.412 1031 V N 0.584 120.495 119.914 -0.005 0.000 2.255 1031 V HA -0.086 4.034 4.120 0.000 0.000 0.243 1031 V C 2.566 178.662 176.094 0.004 0.000 1.038 1031 V CA 1.924 64.223 62.300 -0.001 0.000 1.008 1031 V CB -1.212 30.610 31.823 -0.001 0.000 0.645 1031 V HN 0.507 nan 8.190 nan 0.000 0.449 1032 A N 2.246 125.069 122.820 0.005 0.000 1.896 1032 A HA -0.312 4.008 4.320 0.000 0.000 0.220 1032 A C 2.161 179.756 177.584 0.019 0.000 1.206 1032 A CA 2.824 54.867 52.037 0.009 0.000 0.647 1032 A CB -0.865 18.142 19.000 0.013 0.000 0.828 1032 A HN 0.918 nan 8.150 nan 0.000 0.455 1033 R N -0.998 119.514 120.500 0.021 0.000 2.541 1033 R HA 0.581 4.921 4.340 0.000 0.000 0.245 1033 R C 0.715 177.041 176.300 0.044 0.000 1.154 1033 R CA 0.847 56.970 56.100 0.038 0.000 1.179 1033 R CB -0.279 30.033 30.300 0.019 0.000 1.189 1033 R HN 0.338 nan 8.270 nan 0.000 0.526 1034 A N 0.499 123.340 122.820 0.035 0.000 1.773 1034 A HA 0.311 4.631 4.320 0.000 0.000 0.210 1034 A C 0.324 177.929 177.584 0.035 0.000 1.775 1034 A CA -0.387 51.671 52.037 0.036 0.000 1.157 1034 A CB 0.296 19.306 19.000 0.018 0.000 1.119 1034 A HN 0.175 nan 8.150 nan 0.000 0.501 1035 L N 2.378 123.612 121.223 0.019 0.000 2.452 1035 L HA 0.293 4.633 4.340 0.000 0.000 0.267 1035 L C -2.083 174.789 176.870 0.005 0.000 1.188 1035 L CA -1.830 53.015 54.840 0.009 0.000 0.821 1035 L CB 0.055 42.111 42.059 -0.004 0.000 1.102 1035 L HN 0.226 nan 8.230 nan 0.000 0.470 1036 P HA -0.007 nan 4.420 nan 0.000 0.273 1036 P C -1.049 176.224 177.300 -0.044 0.000 1.250 1036 P CA -0.354 62.731 63.100 -0.025 0.000 0.793 1036 P CB 0.716 32.395 31.700 -0.036 0.000 1.011 1037 D N 0.182 120.545 120.400 -0.063 0.000 2.277 1037 D HA 0.056 4.696 4.640 0.000 0.000 0.249 1037 D C 1.385 177.618 176.300 -0.112 0.000 1.134 1037 D CA -0.364 53.578 54.000 -0.096 0.000 0.863 1037 D CB 1.234 41.965 40.800 -0.115 0.000 1.143 1037 D HN -0.036 nan 8.370 nan 0.000 0.458 1038 V N 4.750 124.587 119.914 -0.129 0.000 2.546 1038 V HA -0.253 3.867 4.120 0.000 0.000 0.254 1038 V C 2.439 178.476 176.094 -0.095 0.000 1.076 1038 V CA 1.541 63.772 62.300 -0.115 0.000 1.087 1038 V CB -0.613 31.111 31.823 -0.164 0.000 0.674 1038 V HN 0.516 nan 8.190 nan 0.000 0.470 1039 R N 1.027 121.424 120.500 -0.171 0.000 2.055 1039 R HA -0.078 4.262 4.340 0.000 0.000 0.226 1039 R C 1.801 178.008 176.300 -0.154 0.000 1.135 1039 R CA 1.666 57.605 56.100 -0.268 0.000 0.959 1039 R CB -0.163 29.747 30.300 -0.651 0.000 0.854 1039 R HN 0.795 nan 8.270 nan 0.000 0.431 1040 D N -2.245 118.058 120.400 -0.162 0.000 2.469 1040 D HA 0.116 4.756 4.640 0.000 0.000 0.215 1040 D C 0.751 176.981 176.300 -0.117 0.000 1.154 1040 D CA 0.405 54.344 54.000 -0.103 0.000 0.832 1040 D CB 0.604 41.349 40.800 -0.090 0.000 1.008 1040 D HN 0.230 nan 8.370 nan 0.000 0.506 1041 G N 0.609 109.346 108.800 -0.105 0.000 2.225 1041 G HA2 -0.283 3.678 3.960 0.000 0.000 0.267 1041 G HA3 -0.283 3.678 3.960 0.000 0.000 0.267 1041 G C -0.137 174.717 174.900 -0.075 0.000 1.024 1041 G CA 0.709 45.754 45.100 -0.092 0.000 0.784 1041 G HN 0.424 nan 8.290 nan 0.000 0.507 1042 L N -0.700 120.486 121.223 -0.061 0.000 2.322 1042 L HA 0.641 4.981 4.340 0.000 0.000 0.269 1042 L C 0.772 177.641 176.870 -0.001 0.000 1.012 1042 L CA -1.215 53.606 54.840 -0.031 0.000 0.815 1042 L CB 1.412 43.479 42.059 0.013 0.000 1.295 1042 L HN 0.055 nan 8.230 nan 0.000 0.438 1043 K N 1.144 121.579 120.400 0.058 0.000 2.132 1043 K HA 0.412 4.732 4.320 0.000 0.000 0.241 1043 K C -2.064 174.637 176.600 0.168 0.000 1.000 1043 K CA -1.717 54.645 56.287 0.124 0.000 0.911 1043 K CB 0.804 33.413 32.500 0.181 0.000 1.093 1043 K HN 0.135 nan 8.250 nan 0.000 0.460 1044 P HA -0.200 nan 4.420 nan 0.000 0.214 1044 P C 1.466 178.869 177.300 0.171 0.000 1.163 1044 P CA 1.143 64.332 63.100 0.148 0.000 0.889 1044 P CB -0.054 31.741 31.700 0.160 0.000 0.790 1045 V N -1.505 118.494 119.914 0.142 0.000 2.380 1045 V HA -0.293 3.827 4.120 0.000 0.000 0.251 1045 V C 2.074 178.096 176.094 -0.121 0.000 1.063 1045 V CA 2.193 64.411 62.300 -0.138 0.000 1.055 1045 V CB -1.964 29.634 31.823 -0.376 0.000 0.657 1045 V HN 0.176 nan 8.190 nan 0.000 0.455 1046 H N -0.021 119.065 119.070 0.027 0.000 2.307 1046 H HA 0.020 4.576 4.556 0.000 0.000 0.303 1046 H C 2.510 177.864 175.328 0.043 0.000 1.073 1046 H CA 1.749 57.821 56.048 0.039 0.000 1.338 1046 H CB -0.241 29.561 29.762 0.067 0.000 1.389 1046 H HN 0.235 nan 8.280 nan 0.000 0.503 1047 R N 0.962 121.555 120.500 0.155 0.000 2.094 1047 R HA -0.160 4.180 4.340 0.000 0.000 0.239 1047 R C 2.231 178.573 176.300 0.070 0.000 1.137 1047 R CA 1.832 57.977 56.100 0.075 0.000 0.943 1047 R CB -0.011 30.292 30.300 0.005 0.000 0.850 1047 R HN 0.296 nan 8.270 nan 0.000 0.433 1048 R N -0.076 120.456 120.500 0.054 0.000 2.105 1048 R HA -0.148 4.192 4.340 0.000 0.000 0.239 1048 R C 2.362 178.770 176.300 0.180 0.000 1.135 1048 R CA 1.699 57.836 56.100 0.062 0.000 0.967 1048 R CB -0.481 29.914 30.300 0.157 0.000 0.861 1048 R HN 0.303 nan 8.270 nan 0.000 0.442 1049 I N 0.862 121.507 120.570 0.126 0.000 2.127 1049 I HA -0.304 3.866 4.170 0.000 0.000 0.241 1049 I C 2.299 178.493 176.117 0.129 0.000 1.075 1049 I CA 1.410 62.779 61.300 0.115 0.000 1.334 1049 I CB -0.198 37.825 38.000 0.039 0.000 1.040 1049 I HN 0.147 nan 8.210 nan 0.000 0.405 1050 L N -0.975 120.323 121.223 0.125 0.000 2.093 1050 L HA -0.239 4.101 4.340 0.000 0.000 0.208 1050 L C 2.649 179.604 176.870 0.141 0.000 1.085 1050 L CA 1.312 56.221 54.840 0.116 0.000 0.755 1050 L CB -0.741 41.385 42.059 0.111 0.000 0.904 1050 L HN 0.295 nan 8.230 nan 0.000 0.435 1051 Y N 1.104 121.416 120.300 0.019 0.000 2.181 1051 Y HA -0.159 4.391 4.550 0.000 0.000 0.288 1051 Y C 2.332 178.282 175.900 0.084 0.000 1.146 1051 Y CA 1.450 59.555 58.100 0.010 0.000 1.164 1051 Y CB -0.600 37.795 38.460 -0.107 0.000 0.982 1051 Y HN 0.053 nan 8.280 nan 0.000 0.515 1052 G N 0.064 108.949 108.800 0.142 0.000 2.408 1052 G HA2 -0.212 3.748 3.960 0.000 0.000 0.217 1052 G HA3 -0.212 3.748 3.960 0.000 0.000 0.217 1052 G C 1.714 176.623 174.900 0.014 0.000 1.150 1052 G CA 0.979 46.162 45.100 0.138 0.000 0.776 1052 G HN 0.451 nan 8.290 nan 0.000 0.542 1053 L N 0.327 121.570 121.223 0.034 0.000 2.131 1053 L HA -0.087 4.254 4.340 0.000 0.000 0.210 1053 L C 2.682 179.540 176.870 -0.021 0.000 1.092 1053 L CA 1.038 55.891 54.840 0.022 0.000 0.759 1053 L CB -0.325 41.758 42.059 0.040 0.000 0.903 1053 L HN 0.347 nan 8.230 nan 0.000 0.435 1054 N N -0.059 118.604 118.700 -0.062 0.000 2.148 1054 N HA -0.198 4.542 4.740 0.000 0.000 0.186 1054 N C 1.741 177.167 175.510 -0.140 0.000 1.031 1054 N CA 0.827 53.827 53.050 -0.084 0.000 0.848 1054 N CB 0.203 38.648 38.487 -0.070 0.000 1.005 1054 N HN 0.106 nan 8.380 nan 0.000 0.427 1055 E N 0.909 120.935 120.200 -0.289 0.000 2.273 1055 E HA -0.124 4.226 4.350 0.000 0.000 0.198 1055 E C 1.355 177.901 176.600 -0.090 0.000 1.002 1055 E CA 1.043 57.301 56.400 -0.237 0.000 0.828 1055 E CB -0.073 29.418 29.700 -0.349 0.000 0.747 1055 E HN 0.422 nan 8.360 nan 0.000 0.491 1056 Q N -1.229 118.536 119.800 -0.058 0.000 2.360 1056 Q HA 0.148 4.488 4.340 0.000 0.000 0.202 1056 Q C 0.742 176.733 176.000 -0.016 0.000 0.915 1056 Q CA 0.590 56.381 55.803 -0.021 0.000 0.943 1056 Q CB 0.681 29.419 28.738 -0.000 0.000 1.064 1056 Q HN 0.336 nan 8.270 nan 0.000 0.511 1057 G N 2.072 110.857 108.800 -0.025 0.000 2.305 1057 G HA2 -0.299 3.661 3.960 0.000 0.000 0.287 1057 G HA3 -0.299 3.661 3.960 0.000 0.000 0.287 1057 G C 0.224 175.117 174.900 -0.012 0.000 1.036 1057 G CA 0.353 45.444 45.100 -0.015 0.000 0.887 1057 G HN 0.317 nan 8.290 nan 0.000 0.505 1058 M N 2.290 121.885 119.600 -0.009 0.000 3.596 1058 M HA 0.172 4.652 4.480 0.000 0.000 0.219 1058 M C 1.257 177.544 176.300 -0.021 0.000 1.471 1058 M CA 0.392 55.687 55.300 -0.009 0.000 1.644 1058 M CB -0.215 32.391 32.600 0.011 0.000 1.083 1058 M HN 0.423 nan 8.290 nan 0.000 0.579 1059 T N -2.321 112.217 114.554 -0.027 0.000 2.816 1059 T HA 0.303 4.653 4.350 0.000 0.000 0.282 1059 T C -1.981 172.684 174.700 -0.058 0.000 0.993 1059 T CA -1.682 60.402 62.100 -0.027 0.000 0.994 1059 T CB 0.587 69.447 68.868 -0.014 0.000 1.025 1059 T HN 0.147 nan 8.240 nan 0.000 0.529 1060 P HA -0.063 nan 4.420 nan 0.000 0.221 1060 P C 1.009 178.254 177.300 -0.091 0.000 1.145 1060 P CA 0.914 63.968 63.100 -0.077 0.000 0.795 1060 P CB 0.005 31.690 31.700 -0.025 0.000 0.775 1061 D N -2.345 118.020 120.400 -0.059 0.000 2.369 1061 D HA 0.028 4.668 4.640 0.000 0.000 0.211 1061 D C 0.305 176.572 176.300 -0.054 0.000 1.077 1061 D CA 0.245 54.216 54.000 -0.048 0.000 0.842 1061 D CB 0.269 41.056 40.800 -0.021 0.000 0.947 1061 D HN 0.146 nan 8.370 nan 0.000 0.509 1062 K N 1.045 121.402 120.400 -0.072 0.000 2.208 1062 K HA 0.315 4.635 4.320 0.000 0.000 0.247 1062 K C 0.348 176.882 176.600 -0.110 0.000 0.953 1062 K CA -0.682 55.568 56.287 -0.062 0.000 0.837 1062 K CB 2.148 34.624 32.500 -0.039 0.000 1.131 1062 K HN 0.037 nan 8.250 nan 0.000 0.431 1063 S N 0.798 116.456 115.700 -0.071 0.000 2.560 1063 S HA -0.023 4.447 4.470 0.000 0.000 0.276 1063 S C 0.072 174.619 174.600 -0.088 0.000 1.350 1063 S CA -0.220 57.939 58.200 -0.068 0.000 1.024 1063 S CB -0.105 63.114 63.200 0.032 0.000 0.864 1063 S HN 0.329 nan 8.310 nan 0.000 0.536 1064 Y N 1.386 121.710 120.300 0.039 0.000 2.757 1064 Y HA 0.237 4.787 4.550 0.000 0.000 0.344 1064 Y C 1.067 176.996 175.900 0.048 0.000 1.263 1064 Y CA 0.462 58.592 58.100 0.050 0.000 1.493 1064 Y CB 0.484 38.983 38.460 0.065 0.000 1.342 1064 Y HN 0.525 nan 8.280 nan 0.000 0.627 1065 K N 1.902 122.439 120.400 0.229 0.000 2.426 1065 K HA 0.330 4.650 4.320 0.000 0.000 0.251 1065 K C -0.765 175.920 176.600 0.143 0.000 0.941 1065 K CA -1.242 55.129 56.287 0.140 0.000 0.808 1065 K CB 1.773 34.325 32.500 0.087 0.000 1.265 1065 K HN 0.419 nan 8.250 nan 0.000 0.432 1066 K N 1.015 121.469 120.400 0.090 0.000 2.436 1066 K HA 0.069 4.389 4.320 0.000 0.000 0.275 1066 K C 0.915 177.539 176.600 0.040 0.000 0.999 1066 K CA 0.177 56.501 56.287 0.060 0.000 0.980 1066 K CB 0.393 32.901 32.500 0.014 0.000 0.919 1066 K HN 0.565 nan 8.250 nan 0.000 0.484 1067 S N 1.763 117.478 115.700 0.025 0.000 2.399 1067 S HA -0.192 4.278 4.470 0.000 0.000 0.231 1067 S C 1.957 176.505 174.600 -0.087 0.000 1.022 1067 S CA 1.222 59.429 58.200 0.012 0.000 0.983 1067 S CB -0.192 63.027 63.200 0.031 0.000 0.803 1067 S HN 0.743 nan 8.310 nan 0.000 0.480 1068 A N 1.831 124.556 122.820 -0.159 0.000 2.042 1068 A HA -0.210 4.110 4.320 0.000 0.000 0.222 1068 A C 2.120 179.661 177.584 -0.073 0.000 1.167 1068 A CA 1.930 53.875 52.037 -0.153 0.000 0.649 1068 A CB -0.575 18.331 19.000 -0.158 0.000 0.809 1068 A HN 0.424 nan 8.150 nan 0.000 0.457 1069 R N -0.900 119.579 120.500 -0.034 0.000 2.115 1069 R HA -0.011 4.329 4.340 0.000 0.000 0.226 1069 R C 1.547 177.853 176.300 0.011 0.000 1.100 1069 R CA 1.426 57.522 56.100 -0.007 0.000 0.980 1069 R CB -0.304 30.004 30.300 0.012 0.000 0.875 1069 R HN 0.527 nan 8.270 nan 0.000 0.445 1070 I N -0.974 119.612 120.570 0.027 0.000 2.400 1070 I HA -0.124 4.046 4.170 0.000 0.000 0.248 1070 I C 1.977 178.123 176.117 0.048 0.000 1.109 1070 I CA 0.599 61.932 61.300 0.054 0.000 1.425 1070 I CB -0.182 37.869 38.000 0.085 0.000 1.094 1070 I HN -0.097 nan 8.210 nan 0.000 0.425 1071 V N 0.991 120.918 119.914 0.021 0.000 2.295 1071 V HA -0.202 3.918 4.120 0.000 0.000 0.246 1071 V C 2.579 178.679 176.094 0.011 0.000 1.049 1071 V CA 2.237 64.547 62.300 0.017 0.000 1.024 1071 V CB -1.502 30.299 31.823 -0.036 0.000 0.648 1071 V HN 0.551 nan 8.190 nan 0.000 0.447 1072 G N -0.618 108.174 108.800 -0.014 0.000 2.418 1072 G HA2 -0.329 3.631 3.960 0.000 0.000 0.217 1072 G HA3 -0.329 3.631 3.960 0.000 0.000 0.217 1072 G C 1.289 176.182 174.900 -0.012 0.000 1.158 1072 G CA 1.193 46.283 45.100 -0.017 0.000 0.771 1072 G HN 0.575 nan 8.290 nan 0.000 0.545 1073 D N -0.171 120.226 120.400 -0.006 0.000 2.078 1073 D HA -0.122 4.518 4.640 0.000 0.000 0.193 1073 D C 2.667 178.935 176.300 -0.054 0.000 0.990 1073 D CA 1.277 55.264 54.000 -0.023 0.000 0.827 1073 D CB -0.183 40.624 40.800 0.011 0.000 0.975 1073 D HN 0.106 nan 8.370 nan 0.000 0.451 1074 V N 0.782 120.724 119.914 0.047 0.000 2.332 1074 V HA -0.278 3.842 4.120 0.000 0.000 0.248 1074 V C 2.498 178.651 176.094 0.097 0.000 1.055 1074 V CA 1.975 64.362 62.300 0.145 0.000 1.038 1074 V CB -0.614 31.333 31.823 0.207 0.000 0.651 1074 V HN 0.417 nan 8.190 nan 0.000 0.450 1075 M N 0.368 120.007 119.600 0.065 0.000 2.108 1075 M HA -0.149 4.331 4.480 0.000 0.000 0.261 1075 M C 1.880 178.188 176.300 0.013 0.000 1.066 1075 M CA 2.485 57.819 55.300 0.057 0.000 1.107 1075 M CB -0.477 32.142 32.600 0.033 0.000 1.356 1075 M HN 0.409 nan 8.290 nan 0.000 0.406 1076 G N -0.549 108.246 108.800 -0.008 0.000 2.539 1076 G HA2 -0.065 3.895 3.960 0.000 0.000 0.215 1076 G HA3 -0.065 3.895 3.960 0.000 0.000 0.215 1076 G C 1.504 176.431 174.900 0.046 0.000 1.141 1076 G CA 0.140 45.252 45.100 0.019 0.000 0.806 1076 G HN 0.411 nan 8.290 nan 0.000 0.533 1077 K N -1.225 119.081 120.400 -0.157 0.000 2.242 1077 K HA 0.190 4.510 4.320 0.000 0.000 0.200 1077 K C 1.082 177.618 176.600 -0.108 0.000 1.050 1077 K CA 0.643 56.705 56.287 -0.376 0.000 0.981 1077 K CB 0.239 32.123 32.500 -1.026 0.000 0.795 1077 K HN 0.420 nan 8.250 nan 0.000 0.477 1078 Y N -2.833 117.686 120.300 0.364 0.000 2.438 1078 Y HA 0.245 4.795 4.550 0.000 0.000 0.274 1078 Y C 0.358 176.388 175.900 0.216 0.000 1.085 1078 Y CA -0.371 57.934 58.100 0.342 0.000 1.199 1078 Y CB 0.690 39.318 38.460 0.280 0.000 1.317 1078 Y HN -0.038 nan 8.280 nan 0.000 0.545 1079 H N 2.484 121.625 119.070 0.118 0.000 2.488 1079 H HA 0.275 4.831 4.556 0.000 0.000 0.237 1079 H C -2.662 172.546 175.328 -0.200 0.000 1.395 1079 H CA -1.820 54.243 56.048 0.026 0.000 1.491 1079 H CB 1.533 31.392 29.762 0.161 0.000 1.567 1079 H HN -0.083 nan 8.280 nan 0.000 0.508 1080 P HA 0.057 nan 4.420 nan 0.000 0.277 1080 P C -0.460 176.419 177.300 -0.702 0.000 1.617 1080 P CA 0.354 63.040 63.100 -0.690 0.000 0.829 1080 P CB -0.514 30.564 31.700 -1.037 0.000 1.774 1081 H N -1.249 117.793 119.070 -0.047 0.000 2.824 1081 H HA 0.557 5.113 4.556 0.000 0.000 0.345 1081 H C 1.075 176.433 175.328 0.049 0.000 1.252 1081 H CA -0.736 55.317 56.048 0.009 0.000 1.246 1081 H CB 0.289 30.081 29.762 0.050 0.000 1.908 1081 H HN -0.010 nan 8.280 nan 0.000 0.601 1082 G N 0.591 109.497 108.800 0.178 0.000 2.341 1082 G HA2 -0.186 3.774 3.960 0.000 0.000 0.231 1082 G HA3 -0.186 3.774 3.960 0.000 0.000 0.231 1082 G C 0.870 175.836 174.900 0.110 0.000 1.206 1082 G CA 0.469 45.635 45.100 0.109 0.000 0.865 1082 G HN 0.924 nan 8.290 nan 0.000 0.515 1083 D N 1.339 121.779 120.400 0.067 0.000 2.158 1083 D HA -0.252 4.388 4.640 0.000 0.000 0.197 1083 D C 2.249 178.605 176.300 0.093 0.000 0.995 1083 D CA 1.724 55.758 54.000 0.056 0.000 0.846 1083 D CB -0.604 40.200 40.800 0.006 0.000 0.941 1083 D HN 0.465 nan 8.370 nan 0.000 0.456 1084 S N 1.226 116.981 115.700 0.092 0.000 2.374 1084 S HA -0.252 4.218 4.470 0.000 0.000 0.227 1084 S C 2.325 176.983 174.600 0.097 0.000 1.037 1084 S CA 1.991 60.259 58.200 0.113 0.000 1.024 1084 S CB -0.878 62.370 63.200 0.080 0.000 0.861 1084 S HN 0.557 nan 8.310 nan 0.000 0.456 1085 S N 2.343 118.090 115.700 0.078 0.000 2.383 1085 S HA 0.043 4.513 4.470 0.000 0.000 0.227 1085 S C 1.886 176.480 174.600 -0.010 0.000 1.026 1085 S CA 0.943 59.168 58.200 0.042 0.000 0.981 1085 S CB -0.861 62.377 63.200 0.065 0.000 0.818 1085 S HN 0.562 nan 8.310 nan 0.000 0.472 1086 I N -0.037 120.536 120.570 0.004 0.000 2.233 1086 I HA -0.095 4.075 4.170 0.000 0.000 0.243 1086 I C 2.623 178.770 176.117 0.051 0.000 1.093 1086 I CA 1.537 62.809 61.300 -0.047 0.000 1.380 1086 I CB -0.561 37.434 38.000 -0.008 0.000 1.067 1086 I HN 0.238 nan 8.210 nan 0.000 0.413 1087 Y N 2.064 122.342 120.300 -0.037 0.000 2.181 1087 Y HA -0.243 4.307 4.550 0.000 0.000 0.288 1087 Y C 2.400 178.296 175.900 -0.007 0.000 1.146 1087 Y CA 1.472 59.561 58.100 -0.017 0.000 1.164 1087 Y CB -0.504 37.944 38.460 -0.020 0.000 0.982 1087 Y HN 0.208 nan 8.280 nan 0.000 0.515 1088 E N -0.368 119.805 120.200 -0.046 0.000 2.058 1088 E HA -0.223 4.128 4.350 0.000 0.000 0.194 1088 E C 2.392 178.938 176.600 -0.090 0.000 0.997 1088 E CA 1.210 57.534 56.400 -0.126 0.000 0.801 1088 E CB -0.329 29.344 29.700 -0.045 0.000 0.746 1088 E HN 0.512 nan 8.360 nan 0.000 0.450 1089 A N 1.333 124.099 122.820 -0.091 0.000 1.908 1089 A HA -0.222 4.098 4.320 0.000 0.000 0.218 1089 A C 2.136 179.658 177.584 -0.104 0.000 1.181 1089 A CA 1.547 53.492 52.037 -0.153 0.000 0.627 1089 A CB -0.512 18.234 19.000 -0.423 0.000 0.818 1089 A HN 0.263 nan 8.150 nan 0.000 0.445 1090 M N -0.185 119.379 119.600 -0.061 0.000 2.086 1090 M HA -0.118 4.362 4.480 0.000 0.000 0.261 1090 M C 2.021 178.343 176.300 0.037 0.000 1.067 1090 M CA 1.883 57.193 55.300 0.017 0.000 1.116 1090 M CB -0.392 32.289 32.600 0.134 0.000 1.348 1090 M HN 0.230 nan 8.290 nan 0.000 0.407 1091 V N 0.990 120.904 119.914 -0.001 0.000 2.324 1091 V HA -0.320 3.800 4.120 0.000 0.000 0.250 1091 V C 2.513 178.626 176.094 0.031 0.000 1.060 1091 V CA 2.455 64.803 62.300 0.080 0.000 1.042 1091 V CB -1.003 30.701 31.823 -0.197 0.000 0.650 1091 V HN 0.570 nan 8.190 nan 0.000 0.450 1092 R N 0.384 120.874 120.500 -0.016 0.000 2.092 1092 R HA -0.059 4.281 4.340 0.000 0.000 0.231 1092 R C 2.011 178.213 176.300 -0.164 0.000 1.119 1092 R CA 1.612 57.718 56.100 0.012 0.000 0.970 1092 R CB -0.398 29.987 30.300 0.142 0.000 0.864 1092 R HN 0.505 nan 8.270 nan 0.000 0.440 1093 M N -0.247 119.129 119.600 -0.374 0.000 2.686 1093 M HA 0.106 4.586 4.480 0.000 0.000 0.246 1093 M C 1.133 177.112 176.300 -0.534 0.000 1.096 1093 M CA 0.990 55.734 55.300 -0.926 0.000 1.076 1093 M CB 0.357 32.613 32.600 -0.574 0.000 1.504 1093 M HN 0.305 nan 8.290 nan 0.000 0.524 1094 A N -0.425 122.189 122.820 -0.343 0.000 2.469 1094 A HA 0.221 4.541 4.320 0.000 0.000 0.245 1094 A C 0.436 177.801 177.584 -0.365 0.000 1.221 1094 A CA -0.289 51.530 52.037 -0.364 0.000 0.946 1094 A CB 0.334 19.023 19.000 -0.518 0.000 1.049 1094 A HN 0.400 nan 8.150 nan 0.000 0.529 1095 Q N 1.208 120.807 119.800 -0.335 0.000 2.303 1095 Q HA 0.175 4.515 4.340 0.000 0.000 0.257 1095 Q C -0.029 175.719 176.000 -0.419 0.000 0.941 1095 Q CA -0.482 55.012 55.803 -0.515 0.000 0.931 1095 Q CB 1.292 29.480 28.738 -0.916 0.000 1.215 1095 Q HN 0.527 nan 8.270 nan 0.000 0.437 1096 D N 3.256 123.492 120.400 -0.274 0.000 2.158 1096 D HA -0.233 4.407 4.640 0.000 0.000 0.197 1096 D C 1.308 177.608 176.300 0.000 0.000 0.995 1096 D CA 1.694 55.650 54.000 -0.072 0.000 0.846 1096 D CB -0.251 40.574 40.800 0.043 0.000 0.941 1096 D HN 0.645 nan 8.370 nan 0.000 0.456 1097 F N 0.351 120.370 119.950 0.114 0.000 2.664 1097 F HA 0.323 4.850 4.527 0.000 0.000 0.296 1097 F C 2.180 178.158 175.800 0.296 0.000 1.125 1097 F CA -0.064 58.035 58.000 0.165 0.000 1.444 1097 F CB -0.278 38.800 39.000 0.130 0.000 1.114 1097 F HN -0.216 nan 8.300 nan 0.000 0.576 1098 S N -1.525 114.144 115.700 -0.052 0.000 2.421 1098 S HA 0.087 4.557 4.470 0.000 0.000 0.224 1098 S C -0.370 174.443 174.600 0.355 0.000 1.035 1098 S CA 0.243 58.607 58.200 0.272 0.000 0.953 1098 S CB -0.246 63.028 63.200 0.122 0.000 0.810 1098 S HN 0.268 nan 8.310 nan 0.000 0.497 1099 Y N 1.631 121.949 120.300 0.030 0.000 2.328 1099 Y HA 0.449 4.999 4.550 0.000 0.000 0.337 1099 Y C 1.019 176.888 175.900 -0.052 0.000 0.966 1099 Y CA -1.151 56.965 58.100 0.026 0.000 1.136 1099 Y CB 0.829 39.292 38.460 0.005 0.000 1.170 1099 Y HN -0.152 nan 8.280 nan 0.000 0.470 1100 R N 2.190 122.666 120.500 -0.039 0.000 2.237 1100 R HA -0.061 4.279 4.340 0.000 0.000 0.219 1100 R C -0.926 175.033 176.300 -0.568 0.000 1.080 1100 R CA 1.008 56.966 56.100 -0.237 0.000 0.995 1100 R CB -0.106 30.082 30.300 -0.187 0.000 0.875 1100 R HN 0.718 nan 8.270 nan 0.000 0.462 1101 Y N -0.422 119.912 120.300 0.056 0.000 2.516 1101 Y HA 0.298 4.848 4.550 0.000 0.000 0.329 1101 Y C -2.274 173.677 175.900 0.085 0.000 1.095 1101 Y CA -2.575 55.532 58.100 0.011 0.000 1.213 1101 Y CB 1.264 39.677 38.460 -0.077 0.000 1.109 1101 Y HN -0.080 nan 8.280 nan 0.000 0.630 1102 P HA 0.018 nan 4.420 nan 0.000 0.261 1102 P C 0.706 177.997 177.300 -0.015 0.000 1.173 1102 P CA 0.580 63.697 63.100 0.028 0.000 0.760 1102 P CB 0.979 32.643 31.700 -0.060 0.000 0.783 1103 L N 1.895 123.053 121.223 -0.107 0.000 2.477 1103 L HA 0.134 4.474 4.340 0.000 0.000 0.220 1103 L C 0.641 177.470 176.870 -0.068 0.000 1.106 1103 L CA 0.412 55.222 54.840 -0.051 0.000 0.851 1103 L CB 0.154 42.197 42.059 -0.028 0.000 0.994 1103 L HN 0.158 nan 8.230 nan 0.000 0.462 1104 V N -0.361 119.478 119.914 -0.125 0.000 2.823 1104 V HA 0.304 4.424 4.120 0.000 0.000 0.312 1104 V C -1.282 174.744 176.094 -0.114 0.000 1.072 1104 V CA -0.743 61.506 62.300 -0.084 0.000 0.937 1104 V CB 2.616 34.391 31.823 -0.080 0.000 1.013 1104 V HN 0.004 nan 8.190 nan 0.000 0.430 1105 D N 2.316 122.688 120.400 -0.048 0.000 2.440 1105 D HA 0.602 5.242 4.640 0.000 0.000 0.239 1105 D C 0.033 176.368 176.300 0.060 0.000 1.084 1105 D CA -0.009 53.981 54.000 -0.017 0.000 0.843 1105 D CB 1.495 42.325 40.800 0.050 0.000 1.097 1105 D HN 0.728 nan 8.370 nan 0.000 0.531 1106 G N 2.294 110.946 108.800 -0.247 0.000 2.454 1106 G HA2 0.540 4.500 3.960 0.000 0.000 0.329 1106 G HA3 0.540 4.500 3.960 0.000 0.000 0.329 1106 G C -1.206 173.563 174.900 -0.219 0.000 1.177 1106 G CA -0.756 44.113 45.100 -0.385 0.000 0.951 1106 G HN 0.524 nan 8.290 nan 0.000 0.485 1107 Q N 0.089 119.872 119.800 -0.027 0.000 2.347 1107 Q HA 0.589 4.929 4.340 0.000 0.000 0.271 1107 Q C 0.106 176.192 176.000 0.144 0.000 1.064 1107 Q CA 0.109 55.818 55.803 -0.157 0.000 0.800 1107 Q CB 1.920 30.223 28.738 -0.725 0.000 1.304 1107 Q HN 1.652 nan 8.270 nan 0.000 0.438 1108 G N 2.766 111.648 108.800 0.136 0.000 2.384 1108 G HA2 -0.223 3.737 3.960 0.000 0.000 0.204 1108 G HA3 -0.223 3.737 3.960 0.000 0.000 0.204 1108 G C -1.309 173.719 174.900 0.214 0.000 1.237 1108 G CA -0.414 44.764 45.100 0.130 0.000 1.060 1108 G HN 0.810 nan 8.290 nan 0.000 0.514 1109 N N -0.060 118.695 118.700 0.091 0.000 2.439 1109 N HA 0.572 5.312 4.740 0.000 0.000 0.249 1109 N C -0.404 175.120 175.510 0.023 0.000 1.003 1109 N CA -0.524 52.583 53.050 0.095 0.000 0.942 1109 N CB 0.176 38.678 38.487 0.024 0.000 1.115 1109 N HN 0.318 nan 8.380 nan 0.000 0.505 1110 F N 3.104 123.086 119.950 0.055 0.000 2.923 1110 F HA 0.366 4.893 4.527 0.000 0.000 0.314 1110 F C 1.252 177.101 175.800 0.080 0.000 1.196 1110 F CA 0.111 58.133 58.000 0.038 0.000 1.320 1110 F CB 0.373 39.377 39.000 0.007 0.000 0.953 1110 F HN 0.696 nan 8.300 nan 0.000 0.505 1111 G N 0.927 109.843 108.800 0.192 0.000 2.741 1111 G HA2 0.027 3.987 3.960 0.000 0.000 0.222 1111 G HA3 0.027 3.987 3.960 0.000 0.000 0.222 1111 G C -0.244 174.815 174.900 0.266 0.000 1.364 1111 G CA -0.395 44.813 45.100 0.181 0.000 0.866 1111 G HN 0.821 nan 8.290 nan 0.000 0.555 1112 S N -2.201 113.610 115.700 0.185 0.000 2.776 1112 S HA 0.704 5.174 4.470 0.000 0.000 0.292 1112 S C 1.230 175.599 174.600 -0.384 0.000 1.187 1112 S CA 0.160 58.330 58.200 -0.050 0.000 0.834 1112 S CB 1.417 64.571 63.200 -0.077 0.000 1.199 1112 S HN 0.844 nan 8.310 nan 0.000 0.514 1113 M N 0.889 120.018 119.600 -0.785 0.000 2.229 1113 M HA -0.022 4.458 4.480 0.000 0.000 0.264 1113 M C 0.498 176.636 176.300 -0.270 0.000 1.063 1113 M CA 1.314 56.217 55.300 -0.662 0.000 1.114 1113 M CB -0.567 31.692 32.600 -0.568 0.000 1.387 1113 M HN 0.644 nan 8.290 nan 0.000 0.420 1114 D N 0.058 120.342 120.400 -0.193 0.000 2.378 1114 D HA 0.013 4.653 4.640 0.000 0.000 0.222 1114 D C 1.316 177.576 176.300 -0.067 0.000 0.980 1114 D CA 1.102 55.039 54.000 -0.105 0.000 0.907 1114 D CB -0.158 40.595 40.800 -0.079 0.000 0.899 1114 D HN 0.554 nan 8.370 nan 0.000 0.527 1115 G N 1.173 109.938 108.800 -0.058 0.000 2.132 1115 G HA2 -0.225 3.735 3.960 0.000 0.000 0.228 1115 G HA3 -0.225 3.735 3.960 0.000 0.000 0.228 1115 G C -0.267 174.640 174.900 0.011 0.000 1.000 1115 G CA -0.272 44.825 45.100 -0.005 0.000 0.693 1115 G HN 0.250 nan 8.290 nan 0.000 0.515 1116 D N 0.676 121.081 120.400 0.009 0.000 2.443 1116 D HA 0.398 5.038 4.640 0.000 0.000 0.239 1116 D C 1.210 177.534 176.300 0.041 0.000 1.136 1116 D CA 1.217 55.230 54.000 0.021 0.000 0.879 1116 D CB 1.099 41.911 40.800 0.019 0.000 1.195 1116 D HN 0.389 nan 8.370 nan 0.000 0.443 1117 G N 0.051 108.867 108.800 0.027 0.000 2.507 1117 G HA2 0.452 4.412 3.960 0.000 0.000 0.271 1117 G HA3 0.452 4.412 3.960 0.000 0.000 0.271 1117 G C -0.123 174.780 174.900 0.004 0.000 1.189 1117 G CA -0.483 44.627 45.100 0.015 0.000 0.859 1117 G HN 0.563 nan 8.290 nan 0.000 0.542 1118 A N 0.063 122.850 122.820 -0.055 0.000 2.425 1118 A HA 0.619 4.939 4.320 0.000 0.000 0.242 1118 A C 1.047 178.611 177.584 -0.034 0.000 1.077 1118 A CA 0.436 52.396 52.037 -0.128 0.000 0.781 1118 A CB 0.009 18.779 19.000 -0.383 0.000 1.020 1118 A HN 1.747 nan 8.150 nan 0.000 0.494 1119 A N 0.869 123.671 122.820 -0.031 0.000 2.327 1119 A HA 0.592 4.913 4.320 0.000 0.000 0.255 1119 A C 1.028 178.708 177.584 0.160 0.000 1.099 1119 A CA 0.069 52.149 52.037 0.071 0.000 0.801 1119 A CB -0.492 18.544 19.000 0.061 0.000 1.062 1119 A HN 2.455 nan 8.150 nan 0.000 0.496 1120 A N 0.793 123.724 122.820 0.185 0.000 2.616 1120 A HA 0.186 4.506 4.320 0.000 0.000 0.234 1120 A C 1.397 178.921 177.584 -0.100 0.000 1.024 1120 A CA 0.857 52.923 52.037 0.048 0.000 0.758 1120 A CB -0.576 18.394 19.000 -0.050 0.000 0.939 1120 A HN 1.472 nan 8.150 nan 0.000 0.510 1121 M N 3.167 122.515 119.600 -0.420 0.000 2.202 1121 M HA -0.171 4.309 4.480 0.000 0.000 0.262 1121 M C 1.757 177.842 176.300 -0.358 0.000 1.063 1121 M CA 2.250 57.118 55.300 -0.721 0.000 1.097 1121 M CB -0.424 31.465 32.600 -1.185 0.000 1.382 1121 M HN 0.824 nan 8.290 nan 0.000 0.413 1122 R N -0.513 119.778 120.500 -0.349 0.000 2.357 1122 R HA -0.106 4.234 4.340 0.000 0.000 0.202 1122 R C 0.362 176.523 176.300 -0.232 0.000 1.047 1122 R CA 1.044 56.954 56.100 -0.318 0.000 1.034 1122 R CB -0.235 29.821 30.300 -0.406 0.000 0.875 1122 R HN 0.464 nan 8.270 nan 0.000 0.473 1123 Y N 0.756 121.006 120.300 -0.084 0.000 2.594 1123 Y HA 0.105 4.655 4.550 0.000 0.000 0.283 1123 Y C 1.307 177.178 175.900 -0.049 0.000 1.140 1123 Y CA 0.458 58.525 58.100 -0.054 0.000 1.261 1123 Y CB -0.371 38.059 38.460 -0.050 0.000 1.358 1123 Y HN 0.069 nan 8.280 nan 0.000 0.513 1124 T N -0.048 114.564 114.554 0.097 0.000 2.860 1124 T HA 0.332 4.682 4.350 0.000 0.000 0.299 1124 T C -0.131 174.633 174.700 0.107 0.000 1.045 1124 T CA -0.424 61.697 62.100 0.035 0.000 1.071 1124 T CB 1.524 70.253 68.868 -0.231 0.000 0.985 1124 T HN 0.185 nan 8.240 nan 0.000 0.537 1125 E N -0.114 120.191 120.200 0.176 0.000 2.320 1125 E HA 0.713 5.063 4.350 0.000 0.000 0.264 1125 E C -0.914 175.892 176.600 0.343 0.000 0.923 1125 E CA -1.231 55.285 56.400 0.194 0.000 0.796 1125 E CB 2.128 31.871 29.700 0.072 0.000 1.262 1125 E HN 1.028 nan 8.360 nan 0.000 0.428 1126 A N 1.422 124.484 122.820 0.404 0.000 2.608 1126 A HA 0.790 5.110 4.320 0.000 0.000 0.292 1126 A C -1.497 176.277 177.584 0.315 0.000 1.066 1126 A CA -0.848 51.432 52.037 0.405 0.000 0.676 1126 A CB 1.450 20.649 19.000 0.332 0.000 1.277 1126 A HN 0.669 nan 8.150 nan 0.000 0.413 1127 R N 0.507 121.123 120.500 0.195 0.000 2.716 1127 R HA 0.718 5.058 4.340 0.000 0.000 0.271 1127 R C -0.574 175.737 176.300 0.018 0.000 1.028 1127 R CA -0.968 55.157 56.100 0.043 0.000 0.883 1127 R CB 0.825 31.054 30.300 -0.118 0.000 1.250 1127 R HN 0.628 nan 8.270 nan 0.000 0.465 1128 M N 1.444 121.045 119.600 0.002 0.000 2.216 1128 M HA -0.018 4.462 4.480 0.000 0.000 0.328 1128 M C -0.240 176.050 176.300 -0.016 0.000 1.062 1128 M CA 1.203 56.502 55.300 -0.001 0.000 1.012 1128 M CB 0.473 33.075 32.600 0.003 0.000 1.622 1128 M HN 0.690 nan 8.290 nan 0.000 0.448 1129 T N 3.438 117.985 114.554 -0.011 0.000 2.874 1129 T HA 0.185 4.535 4.350 0.000 0.000 0.281 1129 T C 1.198 175.899 174.700 0.002 0.000 0.994 1129 T CA -0.741 61.352 62.100 -0.012 0.000 1.015 1129 T CB 1.138 69.988 68.868 -0.029 0.000 1.028 1129 T HN 0.577 nan 8.240 nan 0.000 0.523 1130 K N 1.027 121.450 120.400 0.038 0.000 2.044 1130 K HA -0.088 4.232 4.320 0.000 0.000 0.210 1130 K C 2.070 178.672 176.600 0.003 0.000 1.049 1130 K CA 1.120 57.469 56.287 0.104 0.000 0.927 1130 K CB -0.234 32.406 32.500 0.233 0.000 0.713 1130 K HN 0.433 nan 8.250 nan 0.000 0.443 1131 I N 1.702 122.114 120.570 -0.264 0.000 2.248 1131 I HA -0.267 3.903 4.170 0.000 0.000 0.248 1131 I C 1.853 177.817 176.117 -0.255 0.000 1.107 1131 I CA 1.601 62.446 61.300 -0.758 0.000 1.373 1131 I CB -0.536 36.876 38.000 -0.980 0.000 1.055 1131 I HN 0.259 nan 8.210 nan 0.000 0.418 1132 T N 1.426 115.945 114.554 -0.058 0.000 2.833 1132 T HA -0.130 4.220 4.350 0.000 0.000 0.269 1132 T C 1.976 176.727 174.700 0.086 0.000 1.054 1132 T CA 0.780 62.924 62.100 0.072 0.000 1.135 1132 T CB -0.209 68.690 68.868 0.053 0.000 0.869 1132 T HN 0.294 nan 8.240 nan 0.000 0.466 1133 L N 0.765 122.024 121.223 0.061 0.000 2.129 1133 L HA -0.152 4.188 4.340 0.000 0.000 0.212 1133 L C 2.688 179.622 176.870 0.107 0.000 1.087 1133 L CA 1.080 55.968 54.840 0.079 0.000 0.757 1133 L CB -0.390 41.720 42.059 0.086 0.000 0.896 1133 L HN 0.135 nan 8.230 nan 0.000 0.434 1134 E N -0.425 119.855 120.200 0.133 0.000 2.152 1134 E HA -0.128 4.222 4.350 0.000 0.000 0.192 1134 E C 2.003 178.726 176.600 0.205 0.000 0.983 1134 E CA 0.694 57.215 56.400 0.201 0.000 0.818 1134 E CB -0.160 29.688 29.700 0.247 0.000 0.758 1134 E HN 0.189 nan 8.360 nan 0.000 0.467 1135 L N -0.461 120.879 121.223 0.195 0.000 2.275 1135 L HA -0.026 4.314 4.340 0.000 0.000 0.215 1135 L C 1.644 178.547 176.870 0.055 0.000 1.119 1135 L CA 1.265 56.145 54.840 0.068 0.000 0.790 1135 L CB -0.137 41.965 42.059 0.071 0.000 0.919 1135 L HN 0.121 nan 8.230 nan 0.000 0.443 1136 L N -2.309 118.961 121.223 0.078 0.000 2.817 1136 L HA 0.192 4.532 4.340 0.000 0.000 0.248 1136 L C 1.010 177.918 176.870 0.063 0.000 1.133 1136 L CA -0.277 54.606 54.840 0.072 0.000 0.935 1136 L CB 0.150 42.259 42.059 0.083 0.000 1.266 1136 L HN -0.091 nan 8.230 nan 0.000 0.535 1137 R N 1.697 122.236 120.500 0.065 0.000 2.523 1137 R HA -0.113 4.228 4.340 0.000 0.000 0.281 1137 R C -0.090 176.226 176.300 0.027 0.000 0.969 1137 R CA 0.962 57.093 56.100 0.053 0.000 1.093 1137 R CB 0.136 30.475 30.300 0.065 0.000 0.917 1137 R HN 0.241 nan 8.270 nan 0.000 0.408 1138 D N 1.553 121.963 120.400 0.016 0.000 3.006 1138 D HA -0.271 4.369 4.640 0.000 0.000 0.205 1138 D C 0.858 177.143 176.300 -0.025 0.000 1.075 1138 D CA 1.072 55.060 54.000 -0.020 0.000 1.000 1138 D CB -1.070 39.710 40.800 -0.033 0.000 1.097 1138 D HN 0.650 nan 8.370 nan 0.000 0.426 1139 I N 0.166 120.751 120.570 0.026 0.000 2.800 1139 I HA -0.225 3.945 4.170 0.000 0.000 0.266 1139 I C 1.136 177.336 176.117 0.138 0.000 1.249 1139 I CA 1.349 62.689 61.300 0.067 0.000 1.458 1139 I CB 0.103 38.177 38.000 0.123 0.000 1.093 1139 I HN -0.026 nan 8.210 nan 0.000 0.466 1140 N N 0.766 119.495 118.700 0.049 0.000 2.236 1140 N HA 0.069 4.809 4.740 0.000 0.000 0.196 1140 N C 0.243 175.600 175.510 -0.256 0.000 1.114 1140 N CA 0.314 53.373 53.050 0.014 0.000 0.859 1140 N CB 0.331 38.836 38.487 0.031 0.000 0.982 1140 N HN 0.238 nan 8.380 nan 0.000 0.493 1141 K N 1.139 121.295 120.400 -0.407 0.000 2.969 1141 K HA 0.049 4.369 4.320 0.000 0.000 0.222 1141 K C -0.546 175.644 176.600 -0.684 0.000 1.172 1141 K CA -0.216 55.455 56.287 -1.028 0.000 1.192 1141 K CB 0.053 32.221 32.500 -0.554 0.000 1.111 1141 K HN -0.066 nan 8.250 nan 0.000 0.457 1142 D N 1.739 121.951 120.400 -0.312 0.000 2.740 1142 D HA -0.168 4.472 4.640 0.000 0.000 0.231 1142 D C 0.597 176.901 176.300 0.007 0.000 1.194 1142 D CA 1.380 55.383 54.000 0.006 0.000 0.673 1142 D CB -0.787 40.119 40.800 0.177 0.000 0.995 1142 D HN 0.532 nan 8.370 nan 0.000 0.411 1143 T N -2.341 112.199 114.554 -0.024 0.000 2.990 1143 T HA 0.304 4.654 4.350 0.000 0.000 0.249 1143 T C 1.013 175.685 174.700 -0.048 0.000 1.039 1143 T CA 0.380 62.451 62.100 -0.048 0.000 1.036 1143 T CB 0.060 68.876 68.868 -0.086 0.000 0.994 1143 T HN 0.382 nan 8.240 nan 0.000 0.489 1144 I N -0.762 119.772 120.570 -0.059 0.000 2.740 1144 I HA 0.702 4.872 4.170 0.000 0.000 0.303 1144 I C -1.551 174.505 176.117 -0.102 0.000 1.044 1144 I CA -1.663 59.577 61.300 -0.101 0.000 1.064 1144 I CB 1.271 39.156 38.000 -0.191 0.000 1.249 1144 I HN -0.262 nan 8.210 nan 0.000 0.433 1145 D N 4.083 124.436 120.400 -0.078 0.000 2.351 1145 D HA 0.295 4.935 4.640 0.000 0.000 0.251 1145 D C -0.594 175.642 176.300 -0.106 0.000 1.137 1145 D CA 0.461 54.452 54.000 -0.015 0.000 0.879 1145 D CB 0.484 41.288 40.800 0.005 0.000 1.181 1145 D HN 0.311 nan 8.370 nan 0.000 0.448 1146 F N 1.396 121.323 119.950 -0.038 0.000 2.371 1146 F HA 0.408 4.935 4.527 0.000 0.000 0.329 1146 F C 1.007 176.780 175.800 -0.044 0.000 1.107 1146 F CA -0.780 57.181 58.000 -0.065 0.000 1.137 1146 F CB 0.783 39.752 39.000 -0.051 0.000 1.214 1146 F HN 0.189 nan 8.300 nan 0.000 0.536 1147 I N -1.869 118.776 120.570 0.126 0.000 3.042 1147 I HA 0.555 4.725 4.170 0.000 0.000 0.310 1147 I C -1.033 175.136 176.117 0.087 0.000 1.117 1147 I CA -1.194 60.152 61.300 0.078 0.000 1.003 1147 I CB 1.840 39.857 38.000 0.029 0.000 1.228 1147 I HN 0.234 nan 8.210 nan 0.000 0.443 1148 D N 3.501 123.941 120.400 0.067 0.000 2.443 1148 D HA 0.075 4.716 4.640 0.000 0.000 0.239 1148 D C 0.161 176.510 176.300 0.082 0.000 1.136 1148 D CA 0.292 54.329 54.000 0.061 0.000 0.879 1148 D CB 0.532 41.353 40.800 0.035 0.000 1.195 1148 D HN 0.646 nan 8.370 nan 0.000 0.443 1149 N N 1.191 119.950 118.700 0.098 0.000 2.322 1149 N HA -0.098 4.643 4.740 0.000 0.000 0.270 1149 N C 1.097 176.656 175.510 0.082 0.000 1.286 1149 N CA -0.253 52.895 53.050 0.164 0.000 0.948 1149 N CB -0.143 38.476 38.487 0.220 0.000 1.164 1149 N HN 0.536 nan 8.380 nan 0.000 0.551 1150 Y N -1.890 118.461 120.300 0.084 0.000 2.569 1150 Y HA 0.042 4.592 4.550 0.000 0.000 0.293 1150 Y C 0.312 176.226 175.900 0.023 0.000 1.144 1150 Y CA 1.127 59.252 58.100 0.041 0.000 1.321 1150 Y CB -0.502 37.968 38.460 0.016 0.000 0.982 1150 Y HN 0.548 nan 8.280 nan 0.000 0.558 1151 D N -2.000 118.037 120.400 -0.604 0.000 2.500 1151 D HA 0.226 4.866 4.640 0.000 0.000 0.217 1151 D C 1.672 177.844 176.300 -0.213 0.000 1.159 1151 D CA 0.096 53.869 54.000 -0.378 0.000 0.828 1151 D CB 0.007 40.519 40.800 -0.480 0.000 1.039 1151 D HN 0.374 nan 8.370 nan 0.000 0.512 1152 G N 1.026 109.729 108.800 -0.162 0.000 2.162 1152 G HA2 -0.332 3.628 3.960 0.000 0.000 0.260 1152 G HA3 -0.332 3.628 3.960 0.000 0.000 0.260 1152 G C 0.800 175.656 174.900 -0.073 0.000 0.976 1152 G CA 0.340 45.393 45.100 -0.078 0.000 0.655 1152 G HN 0.362 nan 8.290 nan 0.000 0.533 1153 N N 0.405 119.037 118.700 -0.113 0.000 2.280 1153 N HA 0.140 4.880 4.740 0.000 0.000 0.192 1153 N C 0.513 176.006 175.510 -0.029 0.000 1.109 1153 N CA 0.731 53.736 53.050 -0.075 0.000 0.855 1153 N CB 0.455 38.884 38.487 -0.096 0.000 0.974 1153 N HN 0.578 nan 8.380 nan 0.000 0.482 1154 E N 0.166 120.370 120.200 0.006 0.000 2.450 1154 E HA 0.435 4.785 4.350 0.000 0.000 0.272 1154 E C -0.345 176.339 176.600 0.139 0.000 0.967 1154 E CA -0.573 55.889 56.400 0.104 0.000 0.818 1154 E CB 2.018 31.831 29.700 0.189 0.000 1.401 1154 E HN -0.150 nan 8.360 nan 0.000 0.450 1155 R N 1.156 121.777 120.500 0.202 0.000 2.621 1155 R HA 0.402 4.742 4.340 0.000 0.000 0.292 1155 R C -0.433 176.009 176.300 0.237 0.000 0.969 1155 R CA -0.506 55.703 56.100 0.181 0.000 0.887 1155 R CB 1.987 32.332 30.300 0.075 0.000 1.180 1155 R HN 0.661 nan 8.270 nan 0.000 0.450 1156 E N 2.138 122.411 120.200 0.123 0.000 2.343 1156 E HA 0.523 4.873 4.350 0.000 0.000 0.270 1156 E C -2.672 173.735 176.600 -0.321 0.000 0.895 1156 E CA -2.378 53.867 56.400 -0.257 0.000 0.767 1156 E CB 2.535 31.999 29.700 -0.394 0.000 1.248 1156 E HN 0.125 nan 8.360 nan 0.000 0.440 1157 P HA -0.076 nan 4.420 nan 0.000 0.266 1157 P C 0.721 177.768 177.300 -0.421 0.000 1.215 1157 P CA 0.034 62.654 63.100 -0.801 0.000 0.763 1157 P CB 1.171 32.395 31.700 -0.795 0.000 0.806 1158 S N 2.778 118.290 115.700 -0.313 0.000 2.442 1158 S HA 0.016 4.486 4.470 0.000 0.000 0.236 1158 S C 0.922 175.414 174.600 -0.181 0.000 1.007 1158 S CA 0.781 58.869 58.200 -0.187 0.000 0.965 1158 S CB -0.768 62.356 63.200 -0.127 0.000 0.773 1158 S HN 0.454 nan 8.310 nan 0.000 0.504 1159 V N -2.057 117.723 119.914 -0.223 0.000 3.258 1159 V HA 0.569 4.689 4.120 0.000 0.000 0.299 1159 V C -0.896 175.097 176.094 -0.168 0.000 1.376 1159 V CA -1.449 60.748 62.300 -0.172 0.000 1.063 1159 V CB 1.580 33.314 31.823 -0.148 0.000 1.103 1159 V HN 0.237 nan 8.190 nan 0.000 0.451 1160 L N 0.657 121.827 121.223 -0.089 0.000 2.334 1160 L HA 0.526 4.866 4.340 0.000 0.000 0.272 1160 L C -1.813 175.093 176.870 0.060 0.000 1.020 1160 L CA -1.817 52.998 54.840 -0.043 0.000 0.812 1160 L CB 2.418 44.464 42.059 -0.021 0.000 1.264 1160 L HN 0.417 nan 8.230 nan 0.000 0.439 1161 P HA -0.153 nan 4.420 nan 0.000 0.218 1161 P C 0.299 177.629 177.300 0.050 0.000 1.148 1161 P CA 0.981 64.078 63.100 -0.005 0.000 0.822 1161 P CB 0.130 31.798 31.700 -0.053 0.000 0.784 1162 A N 0.084 122.926 122.820 0.035 0.000 1.978 1162 A HA -0.220 4.100 4.320 0.000 0.000 0.260 1162 A C 0.981 178.596 177.584 0.052 0.000 1.340 1162 A CA 0.437 52.462 52.037 -0.020 0.000 0.740 1162 A CB -1.521 17.473 19.000 -0.010 0.000 1.189 1162 A HN 0.189 nan 8.150 nan 0.000 0.299 1163 R N 0.042 120.584 120.500 0.070 0.000 2.363 1163 R HA 0.248 4.588 4.340 0.000 0.000 0.236 1163 R C 0.087 176.581 176.300 0.323 0.000 0.966 1163 R CA 1.032 57.229 56.100 0.161 0.000 1.100 1163 R CB -0.730 29.647 30.300 0.129 0.000 1.125 1163 R HN 1.032 nan 8.270 nan 0.000 0.514 1164 F N -1.559 118.495 119.950 0.174 0.000 2.591 1164 F HA 0.522 5.049 4.527 0.000 0.000 0.309 1164 F C -2.720 172.951 175.800 -0.215 0.000 1.098 1164 F CA -3.474 54.545 58.000 0.030 0.000 0.937 1164 F CB 1.432 40.380 39.000 -0.087 0.000 1.250 1164 F HN -0.259 nan 8.300 nan 0.000 0.447 1165 P HA 0.029 nan 4.420 nan 0.000 0.252 1165 P C -0.140 176.868 177.300 -0.487 0.000 1.635 1165 P CA 0.542 63.034 63.100 -1.013 0.000 1.206 1165 P CB 0.221 31.361 31.700 -0.933 0.000 1.911 1166 N N 2.345 120.702 118.700 -0.571 0.000 2.084 1166 N HA -0.186 4.554 4.740 0.000 0.000 0.190 1166 N C 1.598 177.007 175.510 -0.168 0.000 1.030 1166 N CA 0.982 53.821 53.050 -0.352 0.000 0.849 1166 N CB -0.765 37.439 38.487 -0.472 0.000 1.012 1166 N HN 0.137 nan 8.380 nan 0.000 0.423 1167 L N 0.620 121.735 121.223 -0.180 0.000 1.976 1167 L HA -0.196 4.144 4.340 0.000 0.000 0.223 1167 L C 2.085 178.906 176.870 -0.083 0.000 1.081 1167 L CA 1.792 56.566 54.840 -0.110 0.000 0.784 1167 L CB -0.798 41.200 42.059 -0.101 0.000 0.896 1167 L HN 0.320 nan 8.230 nan 0.000 0.438 1168 L N -1.163 119.980 121.223 -0.134 0.000 2.141 1168 L HA -0.148 4.192 4.340 0.000 0.000 0.209 1168 L C 2.583 179.459 176.870 0.009 0.000 1.094 1168 L CA 0.951 55.723 54.840 -0.113 0.000 0.763 1168 L CB -0.740 41.144 42.059 -0.291 0.000 0.908 1168 L HN 0.513 nan 8.230 nan 0.000 0.437 1169 A N 0.359 123.161 122.820 -0.030 0.000 1.825 1169 A HA -0.182 4.138 4.320 0.000 0.000 0.214 1169 A C 1.862 179.513 177.584 0.113 0.000 1.206 1169 A CA 1.666 53.730 52.037 0.045 0.000 0.609 1169 A CB -0.544 18.469 19.000 0.022 0.000 0.851 1169 A HN 0.404 nan 8.150 nan 0.000 0.445 1170 N N 0.003 118.759 118.700 0.093 0.000 2.461 1170 N HA 0.188 4.928 4.740 0.000 0.000 0.188 1170 N C 1.037 176.465 175.510 -0.136 0.000 1.134 1170 N CA 0.945 53.978 53.050 -0.028 0.000 0.878 1170 N CB 0.026 38.495 38.487 -0.031 0.000 0.972 1170 N HN 0.703 nan 8.380 nan 0.000 0.456 1171 G N 0.663 109.441 108.800 -0.037 0.000 2.749 1171 G HA2 -0.013 3.947 3.960 0.000 0.000 0.242 1171 G HA3 -0.013 3.947 3.960 0.000 0.000 0.242 1171 G C -0.799 174.093 174.900 -0.013 0.000 1.364 1171 G CA -0.224 44.882 45.100 0.010 0.000 0.888 1171 G HN 0.559 nan 8.290 nan 0.000 0.566 1172 A N -1.258 121.600 122.820 0.064 0.000 2.517 1172 A HA 1.010 5.330 4.320 0.000 0.000 0.297 1172 A C 0.249 177.903 177.584 0.117 0.000 1.050 1172 A CA 0.689 52.751 52.037 0.042 0.000 0.694 1172 A CB 1.244 20.255 19.000 0.018 0.000 1.277 1172 A HN 2.506 nan 8.150 nan 0.000 0.400 1173 S N 1.597 117.355 115.700 0.097 0.000 3.576 1173 S HA 0.908 5.378 4.470 0.000 0.000 0.179 1173 S C 1.118 175.751 174.600 0.055 0.000 0.977 1173 S CA 0.806 59.063 58.200 0.095 0.000 1.189 1173 S CB -0.202 63.070 63.200 0.120 0.000 1.443 1173 S HN 2.807 nan 8.310 nan 0.000 0.874 1174 G N 1.561 110.395 108.800 0.056 0.000 2.466 1174 G HA2 0.007 3.967 3.960 0.000 0.000 0.218 1174 G HA3 0.007 3.967 3.960 0.000 0.000 0.218 1174 G C -1.018 173.895 174.900 0.023 0.000 1.237 1174 G CA -0.350 44.781 45.100 0.053 0.000 0.954 1174 G HN 1.246 nan 8.290 nan 0.000 0.580 1175 I N 0.668 121.250 120.570 0.020 0.000 2.468 1175 I HA 0.688 4.858 4.170 0.000 0.000 0.284 1175 I C 0.432 176.549 176.117 -0.000 0.000 1.038 1175 I CA 0.059 61.361 61.300 0.004 0.000 1.083 1175 I CB 0.382 38.385 38.000 0.006 0.000 1.223 1175 I HN 2.364 nan 8.210 nan 0.000 0.443 1181 T N -0.050 114.508 114.554 0.006 0.000 2.908 1181 T HA 0.696 5.046 4.350 0.000 0.000 0.290 1181 T C -1.367 173.347 174.700 0.024 0.000 1.034 1181 T CA -0.421 61.690 62.100 0.018 0.000 1.010 1181 T CB 1.217 70.100 68.868 0.025 0.000 1.068 1181 T HN 0.326 nan 8.240 nan 0.000 0.481 1182 N N 2.699 121.429 118.700 0.051 0.000 2.699 1182 N HA 0.437 5.177 4.740 0.000 0.000 0.271 1182 N C -1.694 173.969 175.510 0.256 0.000 1.216 1182 N CA -0.296 52.804 53.050 0.082 0.000 0.844 1182 N CB 0.649 39.065 38.487 -0.118 0.000 1.462 1182 N HN 0.525 nan 8.380 nan 0.000 0.555 1183 I N 3.346 124.128 120.570 0.353 0.000 2.466 1183 I HA 0.525 4.695 4.170 0.000 0.000 0.289 1183 I C -2.308 174.027 176.117 0.363 0.000 1.026 1183 I CA -1.994 59.521 61.300 0.359 0.000 1.078 1183 I CB 2.550 40.666 38.000 0.193 0.000 1.249 1183 I HN 0.253 nan 8.210 nan 0.000 0.429 1184 P HA 0.395 nan 4.420 nan 0.000 0.282 1184 P C -2.721 174.410 177.300 -0.282 0.000 1.259 1184 P CA -2.134 60.796 63.100 -0.283 0.000 0.826 1184 P CB 0.381 31.616 31.700 -0.774 0.000 1.064 1185 P HA 0.249 nan 4.420 nan 0.000 0.274 1185 P C -0.838 176.070 177.300 -0.653 0.000 1.256 1185 P CA 0.300 63.183 63.100 -0.362 0.000 0.795 1185 P CB 0.486 31.957 31.700 -0.383 0.000 1.038 1186 H N -2.072 116.894 119.070 -0.174 0.000 3.017 1186 H HA 0.268 4.825 4.556 0.000 0.000 0.346 1186 H C 0.019 175.336 175.328 -0.018 0.000 1.286 1186 H CA -0.688 55.276 56.048 -0.140 0.000 1.120 1186 H CB 0.991 30.677 29.762 -0.126 0.000 1.860 1186 H HN 0.334 nan 8.280 nan 0.000 0.542 1187 N N 1.914 120.678 118.700 0.108 0.000 2.452 1187 N HA -0.065 4.675 4.740 0.000 0.000 0.266 1187 N C 0.820 176.370 175.510 0.066 0.000 1.209 1187 N CA -0.032 53.092 53.050 0.124 0.000 0.929 1187 N CB 0.775 39.298 38.487 0.061 0.000 1.063 1187 N HN 0.426 nan 8.380 nan 0.000 0.472 1188 L N 4.617 125.853 121.223 0.021 0.000 2.013 1188 L HA -0.209 4.131 4.340 0.000 0.000 0.212 1188 L C 2.224 179.057 176.870 -0.062 0.000 1.073 1188 L CA 1.957 56.680 54.840 -0.196 0.000 0.753 1188 L CB -1.124 40.647 42.059 -0.480 0.000 0.890 1188 L HN 0.629 nan 8.230 nan 0.000 0.432 1189 T N -0.783 113.774 114.554 0.005 0.000 2.684 1189 T HA -0.216 4.134 4.350 0.000 0.000 0.267 1189 T C 1.702 176.400 174.700 -0.004 0.000 1.036 1189 T CA 1.765 63.870 62.100 0.008 0.000 1.148 1189 T CB -0.207 68.675 68.868 0.024 0.000 0.863 1189 T HN 0.474 nan 8.240 nan 0.000 0.436 1190 E N 0.702 120.902 120.200 -0.000 0.000 2.017 1190 E HA -0.054 4.297 4.350 0.000 0.000 0.193 1190 E C 2.373 178.951 176.600 -0.037 0.000 0.997 1190 E CA 0.841 57.236 56.400 -0.009 0.000 0.804 1190 E CB -0.350 29.355 29.700 0.008 0.000 0.757 1190 E HN 0.358 nan 8.360 nan 0.000 0.448 1191 L N 0.731 121.918 121.223 -0.059 0.000 1.963 1191 L HA -0.286 4.054 4.340 0.000 0.000 0.220 1191 L C 2.627 179.449 176.870 -0.079 0.000 1.076 1191 L CA 1.351 56.125 54.840 -0.110 0.000 0.772 1191 L CB -0.528 41.444 42.059 -0.144 0.000 0.892 1191 L HN 0.192 nan 8.230 nan 0.000 0.435 1192 I N -0.064 120.476 120.570 -0.050 0.000 2.151 1192 I HA -0.358 3.812 4.170 0.000 0.000 0.243 1192 I C 2.335 178.451 176.117 -0.001 0.000 1.080 1192 I CA 1.424 62.719 61.300 -0.008 0.000 1.339 1192 I CB -0.466 37.543 38.000 0.015 0.000 1.039 1192 I HN 0.375 nan 8.210 nan 0.000 0.409 1193 N N 0.935 119.630 118.700 -0.009 0.000 2.069 1193 N HA -0.153 4.587 4.740 0.000 0.000 0.191 1193 N C 1.944 177.445 175.510 -0.014 0.000 1.031 1193 N CA 1.747 54.793 53.050 -0.006 0.000 0.852 1193 N CB -0.904 37.579 38.487 -0.007 0.000 1.018 1193 N HN 0.484 nan 8.380 nan 0.000 0.423 1194 G N 1.050 109.830 108.800 -0.032 0.000 2.442 1194 G HA2 -0.184 3.776 3.960 0.000 0.000 0.219 1194 G HA3 -0.184 3.776 3.960 0.000 0.000 0.219 1194 G C 1.758 176.636 174.900 -0.036 0.000 1.141 1194 G CA 0.810 45.881 45.100 -0.048 0.000 0.763 1194 G HN 0.210 nan 8.290 nan 0.000 0.554 1195 V N 0.502 120.404 119.914 -0.019 0.000 2.307 1195 V HA -0.074 4.046 4.120 0.000 0.000 0.245 1195 V C 2.863 178.970 176.094 0.022 0.000 1.045 1195 V CA 1.398 63.712 62.300 0.022 0.000 1.024 1195 V CB -0.382 31.491 31.823 0.083 0.000 0.651 1195 V HN 0.315 nan 8.190 nan 0.000 0.449 1196 L N 0.144 121.378 121.223 0.018 0.000 2.083 1196 L HA -0.147 4.193 4.340 0.000 0.000 0.209 1196 L C 2.552 179.424 176.870 0.003 0.000 1.083 1196 L CA 1.727 56.575 54.840 0.014 0.000 0.752 1196 L CB -0.428 41.639 42.059 0.013 0.000 0.899 1196 L HN 0.332 nan 8.230 nan 0.000 0.433 1197 S N -0.292 115.406 115.700 -0.002 0.000 2.402 1197 S HA -0.149 4.321 4.470 0.000 0.000 0.229 1197 S C 1.773 176.368 174.600 -0.009 0.000 1.021 1197 S CA 1.130 59.326 58.200 -0.006 0.000 0.974 1197 S CB -0.353 62.842 63.200 -0.009 0.000 0.800 1197 S HN 0.345 nan 8.310 nan 0.000 0.484 1198 L N 2.824 124.041 121.223 -0.010 0.000 2.027 1198 L HA -0.015 4.325 4.340 0.000 0.000 0.206 1198 L C 2.242 179.106 176.870 -0.010 0.000 1.074 1198 L CA 2.187 57.019 54.840 -0.012 0.000 0.745 1198 L CB -1.083 40.968 42.059 -0.013 0.000 0.898 1198 L HN 0.345 nan 8.230 nan 0.000 0.433 1199 S N -1.577 114.121 115.700 -0.004 0.000 2.528 1199 S HA -0.197 4.273 4.470 0.000 0.000 0.244 1199 S C 1.848 176.443 174.600 -0.009 0.000 0.982 1199 S CA 1.412 59.608 58.200 -0.007 0.000 0.953 1199 S CB -0.469 62.730 63.200 -0.001 0.000 0.754 1199 S HN 0.566 nan 8.310 nan 0.000 0.529 1200 K N 0.865 121.260 120.400 -0.008 0.000 2.365 1200 K HA 0.293 4.613 4.320 0.000 0.000 0.195 1200 K C 0.024 176.618 176.600 -0.009 0.000 1.079 1200 K CA 0.239 56.522 56.287 -0.008 0.000 0.979 1200 K CB 0.408 32.904 32.500 -0.005 0.000 0.929 1200 K HN 0.513 nan 8.250 nan 0.000 0.523 1201 N N -0.385 118.309 118.700 -0.011 0.000 2.594 1201 N HA 0.214 4.954 4.740 0.000 0.000 0.280 1201 N C -2.637 172.864 175.510 -0.015 0.000 1.156 1201 N CA -1.570 51.472 53.050 -0.012 0.000 0.831 1201 N CB 1.735 40.216 38.487 -0.009 0.000 1.379 1201 N HN -0.284 nan 8.380 nan 0.000 0.536 1202 P HA -0.078 nan 4.420 nan 0.000 0.216 1202 P C -0.719 176.568 177.300 -0.022 0.000 1.150 1202 P CA 1.368 64.454 63.100 -0.023 0.000 0.843 1202 P CB 0.048 31.734 31.700 -0.024 0.000 0.787 1203 D N -0.989 119.401 120.400 -0.017 0.000 3.071 1203 D HA 0.142 4.782 4.640 0.000 0.000 0.259 1203 D C 0.078 176.371 176.300 -0.012 0.000 1.331 1203 D CA -0.117 53.875 54.000 -0.015 0.000 0.861 1203 D CB -0.641 40.152 40.800 -0.012 0.000 1.059 1203 D HN 0.148 nan 8.370 nan 0.000 0.486 1204 I N 1.858 122.420 120.570 -0.013 0.000 2.416 1204 I HA 0.067 4.237 4.170 0.000 0.000 0.288 1204 I C 0.584 176.695 176.117 -0.010 0.000 1.051 1204 I CA -0.387 60.907 61.300 -0.011 0.000 1.375 1204 I CB 0.920 38.912 38.000 -0.013 0.000 1.407 1204 I HN 0.166 nan 8.210 nan 0.000 0.516 1205 S N 6.807 122.504 115.700 -0.004 0.000 2.525 1205 S HA 0.321 4.791 4.470 0.000 0.000 0.278 1205 S C 1.505 176.108 174.600 0.006 0.000 1.234 1205 S CA -0.893 57.309 58.200 0.002 0.000 1.058 1205 S CB 1.633 64.837 63.200 0.007 0.000 0.983 1205 S HN 0.516 nan 8.310 nan 0.000 0.495 1206 I N 1.210 121.786 120.570 0.010 0.000 2.499 1206 I HA -0.433 3.737 4.170 0.000 0.000 0.248 1206 I C 2.582 178.724 176.117 0.042 0.000 0.945 1206 I CA 2.251 63.567 61.300 0.028 0.000 1.309 1206 I CB -2.452 35.585 38.000 0.062 0.000 0.994 1206 I HN 0.860 nan 8.210 nan 0.000 0.434 1207 A N 1.112 123.952 122.820 0.033 0.000 1.852 1207 A HA -0.262 4.058 4.320 0.000 0.000 0.217 1207 A C 2.244 179.842 177.584 0.024 0.000 1.215 1207 A CA 2.521 54.576 52.037 0.030 0.000 0.641 1207 A CB -0.893 18.120 19.000 0.020 0.000 0.838 1207 A HN 0.570 nan 8.150 nan 0.000 0.450 1208 E N -0.614 119.593 120.200 0.012 0.000 2.150 1208 E HA -0.091 4.259 4.350 0.000 0.000 0.193 1208 E C 1.832 178.433 176.600 0.002 0.000 0.985 1208 E CA 0.781 57.185 56.400 0.007 0.000 0.814 1208 E CB -0.257 29.444 29.700 0.001 0.000 0.752 1208 E HN 0.369 nan 8.360 nan 0.000 0.466 1209 L N 0.411 121.631 121.223 -0.005 0.000 2.043 1209 L HA -0.160 4.180 4.340 0.000 0.000 0.212 1209 L C 2.106 178.970 176.870 -0.011 0.000 1.075 1209 L CA 1.775 56.600 54.840 -0.025 0.000 0.752 1209 L CB -0.427 41.603 42.059 -0.048 0.000 0.891 1209 L HN 0.278 nan 8.230 nan 0.000 0.432 1210 M N -1.599 118.018 119.600 0.029 0.000 2.374 1210 M HA -0.138 4.342 4.480 0.000 0.000 0.264 1210 M C 1.848 178.178 176.300 0.051 0.000 1.067 1210 M CA 0.847 56.193 55.300 0.075 0.000 1.103 1210 M CB -0.237 32.436 32.600 0.123 0.000 1.402 1210 M HN 0.222 nan 8.290 nan 0.000 0.444 1211 E N 0.620 120.837 120.200 0.028 0.000 2.153 1211 E HA -0.177 4.173 4.350 0.000 0.000 0.194 1211 E C 1.304 177.913 176.600 0.014 0.000 0.988 1211 E CA 1.133 57.544 56.400 0.019 0.000 0.811 1211 E CB -0.089 29.618 29.700 0.012 0.000 0.746 1211 E HN 0.516 nan 8.360 nan 0.000 0.466 1212 D N -0.010 120.395 120.400 0.007 0.000 2.146 1212 D HA 0.014 4.654 4.640 0.000 0.000 0.209 1212 D C 0.744 177.048 176.300 0.007 0.000 0.973 1212 D CA 0.450 54.450 54.000 -0.000 0.000 0.860 1212 D CB 0.181 40.971 40.800 -0.015 0.000 1.015 1212 D HN 0.107 nan 8.370 nan 0.000 0.465 1213 I N 2.214 122.788 120.570 0.007 0.000 2.206 1213 I HA 0.045 4.215 4.170 0.000 0.000 0.292 1213 I C 1.077 177.269 176.117 0.126 0.000 1.156 1213 I CA 0.050 61.370 61.300 0.035 0.000 1.356 1213 I CB 0.332 38.291 38.000 -0.068 0.000 1.494 1213 I HN -0.108 nan 8.210 nan 0.000 0.601 1214 E N 3.141 123.393 120.200 0.086 0.000 2.219 1214 E HA -0.048 4.303 4.350 0.000 0.000 0.198 1214 E C 1.214 177.873 176.600 0.099 0.000 0.998 1214 E CA 0.788 57.233 56.400 0.075 0.000 0.818 1214 E CB 0.048 29.765 29.700 0.028 0.000 0.741 1214 E HN 0.826 nan 8.360 nan 0.000 0.477 1215 G N -0.419 108.472 108.800 0.152 0.000 2.323 1215 G HA2 0.161 4.121 3.960 0.000 0.000 0.291 1215 G HA3 0.161 4.121 3.960 0.000 0.000 0.291 1215 G C -3.075 171.843 174.900 0.030 0.000 1.278 1215 G CA -1.189 43.975 45.100 0.107 0.000 0.860 1215 G HN -0.207 nan 8.290 nan 0.000 0.504 1216 P HA 0.443 nan 4.420 nan 0.000 0.274 1216 P C -1.187 175.606 177.300 -0.845 0.000 1.246 1216 P CA 0.052 62.584 63.100 -0.947 0.000 0.795 1216 P CB 1.054 32.068 31.700 -1.143 0.000 1.006 1217 D N 0.224 120.051 120.400 -0.956 0.000 2.602 1217 D HA 0.373 5.013 4.640 0.000 0.000 0.245 1217 D C -1.450 174.402 176.300 -0.746 0.000 1.325 1217 D CA -0.382 53.223 54.000 -0.659 0.000 0.952 1217 D CB 0.274 40.892 40.800 -0.302 0.000 1.317 1217 D HN -0.019 nan 8.370 nan 0.000 0.577 1218 F N 3.966 123.712 119.950 -0.340 0.000 2.385 1218 F HA 0.350 4.877 4.527 0.000 0.000 0.336 1218 F C -0.958 174.652 175.800 -0.316 0.000 1.100 1218 F CA -2.054 55.664 58.000 -0.471 0.000 1.116 1218 F CB 0.902 39.652 39.000 -0.417 0.000 1.166 1218 F HN 0.258 nan 8.300 nan 0.000 0.511 1219 P HA -0.192 nan 4.420 nan 0.000 0.216 1219 P C 1.173 178.513 177.300 0.067 0.000 1.153 1219 P CA 2.197 65.266 63.100 -0.051 0.000 0.858 1219 P CB -0.439 31.268 31.700 0.012 0.000 0.789 1220 T N -3.764 110.884 114.554 0.157 0.000 3.163 1220 T HA 0.399 4.749 4.350 0.000 0.000 0.260 1220 T C 1.063 175.837 174.700 0.124 0.000 1.156 1220 T CA 0.447 62.659 62.100 0.187 0.000 1.072 1220 T CB -0.753 68.278 68.868 0.270 0.000 0.937 1220 T HN 0.371 nan 8.240 nan 0.000 0.528 1221 A N 0.877 123.765 122.820 0.112 0.000 5.581 1221 A HA 0.253 4.573 4.320 0.000 0.000 0.286 1221 A C 1.261 178.918 177.584 0.122 0.000 2.048 1221 A CA 0.716 52.808 52.037 0.092 0.000 0.715 1221 A CB -1.820 17.214 19.000 0.056 0.000 1.192 1221 A HN 2.329 nan 8.150 nan 0.000 0.364 1222 G N -3.500 105.348 108.800 0.080 0.000 2.632 1222 G HA2 0.324 4.284 3.960 0.000 0.000 0.224 1222 G HA3 0.324 4.284 3.960 0.000 0.000 0.224 1222 G C -0.650 174.293 174.900 0.072 0.000 1.341 1222 G CA 0.291 45.434 45.100 0.071 0.000 0.880 1222 G HN 2.058 nan 8.290 nan 0.000 0.566 1223 L N -0.179 121.077 121.223 0.054 0.000 2.365 1223 L HA 0.757 5.097 4.340 0.000 0.000 0.273 1223 L C 0.506 177.401 176.870 0.043 0.000 1.000 1223 L CA -0.537 54.323 54.840 0.033 0.000 0.819 1223 L CB 1.813 43.869 42.059 -0.005 0.000 1.284 1223 L HN 0.653 nan 8.230 nan 0.000 0.418 1224 I N 2.301 122.899 120.570 0.045 0.000 2.577 1224 I HA 0.251 4.421 4.170 0.000 0.000 0.305 1224 I C 0.792 176.907 176.117 -0.003 0.000 0.986 1224 I CA -0.369 60.958 61.300 0.045 0.000 1.189 1224 I CB 1.784 39.814 38.000 0.050 0.000 1.355 1224 I HN 0.598 nan 8.210 nan 0.000 0.476 1225 L N 2.964 124.179 121.223 -0.013 0.000 2.202 1225 L HA 0.303 4.643 4.340 0.000 0.000 0.205 1225 L C 0.914 177.767 176.870 -0.028 0.000 1.083 1225 L CA 0.420 55.240 54.840 -0.033 0.000 0.790 1225 L CB 0.026 42.055 42.059 -0.049 0.000 0.942 1225 L HN 0.766 nan 8.230 nan 0.000 0.452 1226 G N -1.776 107.009 108.800 -0.025 0.000 2.749 1226 G HA2 0.275 4.235 3.960 0.000 0.000 0.300 1226 G HA3 0.275 4.235 3.960 0.000 0.000 0.300 1226 G C -0.449 174.429 174.900 -0.037 0.000 1.352 1226 G CA -0.458 44.625 45.100 -0.027 0.000 0.789 1226 G HN -0.174 nan 8.290 nan 0.000 0.509 1227 K N -0.215 120.163 120.400 -0.037 0.000 2.367 1227 K HA 0.097 4.417 4.320 0.000 0.000 0.194 1227 K C 2.350 178.915 176.600 -0.058 0.000 1.027 1227 K CA 0.818 57.075 56.287 -0.051 0.000 1.075 1227 K CB 0.556 33.037 32.500 -0.032 0.000 0.845 1227 K HN 0.372 nan 8.250 nan 0.000 0.529 1228 S N 0.855 116.531 115.700 -0.041 0.000 2.345 1228 S HA -0.113 4.357 4.470 0.000 0.000 0.220 1228 S C 2.239 176.813 174.600 -0.044 0.000 1.031 1228 S CA 1.162 59.342 58.200 -0.034 0.000 0.996 1228 S CB -0.884 62.304 63.200 -0.020 0.000 0.882 1228 S HN 0.398 nan 8.310 nan 0.000 0.445 1229 G N 2.207 110.980 108.800 -0.044 0.000 2.459 1229 G HA2 -0.142 3.818 3.960 0.000 0.000 0.217 1229 G HA3 -0.142 3.818 3.960 0.000 0.000 0.217 1229 G C 1.404 176.242 174.900 -0.103 0.000 1.183 1229 G CA 1.024 46.099 45.100 -0.041 0.000 0.776 1229 G HN 0.498 nan 8.290 nan 0.000 0.552 1230 I N 0.203 120.666 120.570 -0.179 0.000 2.151 1230 I HA -0.226 3.944 4.170 0.000 0.000 0.243 1230 I C 2.873 178.717 176.117 -0.455 0.000 1.080 1230 I CA 1.615 62.667 61.300 -0.413 0.000 1.339 1230 I CB -0.175 37.594 38.000 -0.385 0.000 1.039 1230 I HN 0.111 nan 8.210 nan 0.000 0.409 1231 R N 0.418 120.795 120.500 -0.204 0.000 2.073 1231 R HA -0.131 4.209 4.340 0.000 0.000 0.234 1231 R C 2.511 178.791 176.300 -0.033 0.000 1.134 1231 R CA 1.220 57.267 56.100 -0.088 0.000 0.952 1231 R CB -0.026 30.257 30.300 -0.029 0.000 0.850 1231 R HN 0.134 nan 8.270 nan 0.000 0.433 1232 R N 0.114 120.594 120.500 -0.034 0.000 2.073 1232 R HA -0.035 4.305 4.340 0.000 0.000 0.234 1232 R C 2.157 178.476 176.300 0.032 0.000 1.134 1232 R CA 1.521 57.626 56.100 0.007 0.000 0.952 1232 R CB -1.048 29.256 30.300 0.006 0.000 0.850 1232 R HN 0.331 nan 8.270 nan 0.000 0.433 1233 A N 0.397 123.217 122.820 -0.000 0.000 1.972 1233 A HA -0.157 4.163 4.320 0.000 0.000 0.219 1233 A C 1.688 179.406 177.584 0.224 0.000 1.169 1233 A CA 1.126 53.204 52.037 0.070 0.000 0.635 1233 A CB -0.521 18.496 19.000 0.029 0.000 0.810 1233 A HN 0.239 nan 8.150 nan 0.000 0.446 1234 Y N 0.107 120.431 120.300 0.040 0.000 2.420 1234 Y HA 0.026 4.576 4.550 0.000 0.000 0.292 1234 Y C 2.364 178.274 175.900 0.016 0.000 1.119 1234 Y CA 0.585 58.699 58.100 0.022 0.000 1.229 1234 Y CB -0.271 38.195 38.460 0.010 0.000 1.026 1234 Y HN 0.437 nan 8.280 nan 0.000 0.554 1235 E N -0.699 119.606 120.200 0.174 0.000 2.057 1235 E HA -0.053 4.297 4.350 0.000 0.000 0.190 1235 E C 1.934 178.580 176.600 0.078 0.000 0.969 1235 E CA 1.711 58.172 56.400 0.102 0.000 0.812 1235 E CB -0.354 29.390 29.700 0.072 0.000 0.777 1235 E HN 0.440 nan 8.360 nan 0.000 0.455 1236 T N -2.364 112.234 114.554 0.073 0.000 3.057 1236 T HA 0.248 4.598 4.350 0.000 0.000 0.254 1236 T C 1.514 176.255 174.700 0.069 0.000 1.094 1236 T CA 0.622 62.758 62.100 0.059 0.000 1.088 1236 T CB 0.458 69.353 68.868 0.046 0.000 0.934 1236 T HN 0.317 nan 8.240 nan 0.000 0.497 1237 G N 1.350 110.209 108.800 0.098 0.000 2.132 1237 G HA2 -0.200 3.760 3.960 0.000 0.000 0.234 1237 G HA3 -0.200 3.760 3.960 0.000 0.000 0.234 1237 G C 0.006 174.967 174.900 0.102 0.000 0.989 1237 G CA -0.199 44.966 45.100 0.109 0.000 0.676 1237 G HN 0.668 nan 8.290 nan 0.000 0.522 1238 R N -0.819 119.734 120.500 0.088 0.000 2.535 1238 R HA 0.596 4.936 4.340 0.000 0.000 0.274 1238 R C -0.393 175.943 176.300 0.060 0.000 1.090 1238 R CA 0.024 56.167 56.100 0.072 0.000 0.930 1238 R CB 1.895 32.224 30.300 0.050 0.000 1.223 1238 R HN 1.180 nan 8.270 nan 0.000 0.441 1239 G N 0.717 109.555 108.800 0.064 0.000 2.503 1239 G HA2 0.134 4.094 3.960 0.000 0.000 0.305 1239 G HA3 0.134 4.094 3.960 0.000 0.000 0.305 1239 G C -1.220 173.721 174.900 0.069 0.000 1.575 1239 G CA -0.556 44.572 45.100 0.046 0.000 0.890 1239 G HN 0.427 nan 8.290 nan 0.000 0.612 1240 S N 2.195 117.927 115.700 0.054 0.000 2.513 1240 S HA 0.683 5.153 4.470 0.000 0.000 0.276 1240 S C 0.359 175.010 174.600 0.084 0.000 1.254 1240 S CA -0.691 57.554 58.200 0.076 0.000 1.053 1240 S CB 0.485 63.712 63.200 0.044 0.000 0.958 1240 S HN 0.575 nan 8.310 nan 0.000 0.491 1241 I N 3.386 124.046 120.570 0.149 0.000 2.392 1241 I HA 0.320 4.490 4.170 0.000 0.000 0.295 1241 I C 0.054 176.245 176.117 0.123 0.000 0.985 1241 I CA -0.654 60.722 61.300 0.127 0.000 1.221 1241 I CB 1.372 39.481 38.000 0.182 0.000 1.366 1241 I HN 0.648 nan 8.210 nan 0.000 0.467 1242 Q N 6.317 126.156 119.800 0.066 0.000 2.349 1242 Q HA 0.462 4.802 4.340 0.000 0.000 0.254 1242 Q C -0.476 175.545 176.000 0.035 0.000 0.980 1242 Q CA -0.118 55.707 55.803 0.038 0.000 0.924 1242 Q CB 1.590 30.326 28.738 -0.003 0.000 1.209 1242 Q HN 0.544 nan 8.270 nan 0.000 0.445 1243 M N 2.345 121.965 119.600 0.033 0.000 2.209 1243 M HA 0.438 4.918 4.480 0.000 0.000 0.355 1243 M C 0.164 176.445 176.300 -0.032 0.000 1.171 1243 M CA -0.184 55.119 55.300 0.005 0.000 1.069 1243 M CB 1.632 34.189 32.600 -0.072 0.000 1.622 1243 M HN 0.269 nan 8.290 nan 0.000 0.459 1244 R N 1.232 121.704 120.500 -0.046 0.000 2.750 1244 R HA 0.571 4.911 4.340 0.000 0.000 0.281 1244 R C -0.795 175.505 176.300 -0.000 0.000 0.972 1244 R CA -0.454 55.592 56.100 -0.090 0.000 0.912 1244 R CB 1.862 32.003 30.300 -0.266 0.000 1.187 1244 R HN 0.800 nan 8.270 nan 0.000 0.464 1245 S N 1.397 117.152 115.700 0.092 0.000 2.617 1245 S HA 0.109 4.579 4.470 0.000 0.000 0.255 1245 S C -0.112 174.551 174.600 0.104 0.000 1.318 1245 S CA -0.318 57.946 58.200 0.107 0.000 0.978 1245 S CB 0.444 63.729 63.200 0.142 0.000 0.961 1245 S HN 0.559 nan 8.310 nan 0.000 0.582 1246 R N 0.397 120.948 120.500 0.084 0.000 2.229 1246 R HA 0.611 4.951 4.340 0.000 0.000 0.332 1246 R C -1.001 175.348 176.300 0.082 0.000 0.989 1246 R CA -0.110 56.035 56.100 0.075 0.000 0.842 1246 R CB 0.417 30.748 30.300 0.051 0.000 1.119 1246 R HN 0.617 nan 8.270 nan 0.000 0.456 1247 A N 4.123 127.005 122.820 0.103 0.000 2.393 1247 A HA 0.651 4.971 4.320 0.000 0.000 0.306 1247 A C -1.020 176.602 177.584 0.064 0.000 1.050 1247 A CA -0.517 51.568 52.037 0.079 0.000 0.724 1247 A CB 1.601 20.654 19.000 0.090 0.000 1.248 1247 A HN 0.761 nan 8.150 nan 0.000 0.424 1248 V N -0.283 119.653 119.914 0.036 0.000 2.960 1248 V HA 0.814 4.934 4.120 0.000 0.000 0.315 1248 V C -0.878 175.225 176.094 0.015 0.000 1.087 1248 V CA -1.064 61.253 62.300 0.029 0.000 0.982 1248 V CB 1.672 33.509 31.823 0.023 0.000 1.039 1248 V HN 0.615 nan 8.190 nan 0.000 0.437 1249 I N 3.115 123.693 120.570 0.014 0.000 2.321 1249 I HA 0.548 4.718 4.170 0.000 0.000 0.291 1249 I C 0.195 176.315 176.117 0.005 0.000 0.998 1249 I CA -0.470 60.832 61.300 0.005 0.000 1.227 1249 I CB 0.979 38.982 38.000 0.005 0.000 1.368 1249 I HN 1.045 nan 8.210 nan 0.000 0.466 1250 E N 5.736 125.936 120.200 0.001 0.000 2.212 1250 E HA 0.490 4.840 4.350 0.000 0.000 0.268 1250 E C -0.456 176.144 176.600 -0.001 0.000 0.902 1250 E CA -0.905 55.495 56.400 0.001 0.000 0.779 1250 E CB 1.979 31.680 29.700 0.001 0.000 1.172 1250 E HN 0.585 nan 8.360 nan 0.000 0.409 1251 E N 2.359 122.559 120.200 -0.000 0.000 2.435 1251 E HA 0.036 4.386 4.350 0.000 0.000 0.256 1251 E C 0.040 176.639 176.600 -0.002 0.000 1.245 1251 E CA -0.513 55.886 56.400 -0.001 0.000 0.989 1251 E CB 0.645 30.345 29.700 -0.000 0.000 0.983 1251 E HN 0.464 nan 8.360 nan 0.000 0.480 1252 R N -0.146 120.353 120.500 -0.003 0.000 2.493 1252 R HA 0.200 4.540 4.340 0.000 0.000 0.404 1252 R C -0.324 175.975 176.300 -0.003 0.000 0.834 1252 R CA 0.589 56.687 56.100 -0.003 0.000 1.056 1252 R CB 0.147 30.445 30.300 -0.004 0.000 1.620 1252 R HN 0.936 nan 8.270 nan 0.000 0.570 1253 G N -0.664 108.135 108.800 -0.002 0.000 2.819 1253 G HA2 -0.042 3.918 3.960 0.000 0.000 0.682 1253 G HA3 -0.042 3.918 3.960 0.000 0.000 0.682 1253 G C 0.577 175.475 174.900 -0.002 0.000 1.481 1253 G CA 0.089 45.188 45.100 -0.002 0.000 0.904 1253 G HN 0.807 nan 8.290 nan 0.000 0.563 1254 G N -0.805 107.994 108.800 -0.002 0.000 2.258 1254 G HA2 0.314 4.274 3.960 0.000 0.000 0.274 1254 G HA3 0.314 4.274 3.960 0.000 0.000 0.274 1254 G C 2.160 177.059 174.900 -0.003 0.000 1.021 1254 G CA 1.026 46.124 45.100 -0.002 0.000 0.798 1254 G HN 3.131 nan 8.290 nan 0.000 0.507 1255 G N -1.748 107.050 108.800 -0.002 0.000 2.189 1255 G HA2 -0.333 3.627 3.960 0.000 0.000 0.267 1255 G HA3 -0.333 3.627 3.960 0.000 0.000 0.267 1255 G C 0.599 175.497 174.900 -0.003 0.000 0.975 1255 G CA 1.395 46.494 45.100 -0.002 0.000 0.644 1255 G HN 0.975 nan 8.290 nan 0.000 0.537 1256 R N -0.203 120.295 120.500 -0.004 0.000 2.546 1256 R HA 0.693 5.033 4.340 0.000 0.000 0.266 1256 R C 0.613 176.910 176.300 -0.005 0.000 1.086 1256 R CA -0.217 55.880 56.100 -0.005 0.000 1.160 1256 R CB 0.511 30.807 30.300 -0.006 0.000 1.138 1256 R HN 0.434 nan 8.270 nan 0.000 0.567 1257 Q N 0.266 120.061 119.800 -0.007 0.000 2.668 1257 Q HA 0.550 4.890 4.340 0.000 0.000 0.298 1257 Q C -1.157 174.837 176.000 -0.010 0.000 1.071 1257 Q CA -1.067 54.732 55.803 -0.008 0.000 0.789 1257 Q CB 2.846 31.579 28.738 -0.008 0.000 1.497 1257 Q HN 0.314 nan 8.270 nan 0.000 0.460 1258 R N 0.367 120.861 120.500 -0.011 0.000 2.561 1258 R HA 0.441 4.782 4.340 0.000 0.000 0.266 1258 R C -1.782 174.508 176.300 -0.016 0.000 1.091 1258 R CA -0.306 55.786 56.100 -0.013 0.000 0.927 1258 R CB 1.320 31.614 30.300 -0.010 0.000 1.240 1258 R HN 0.547 nan 8.270 nan 0.000 0.449 1259 I N 3.720 124.276 120.570 -0.023 0.000 2.365 1259 I HA 0.340 4.510 4.170 0.000 0.000 0.291 1259 I C -0.520 175.585 176.117 -0.021 0.000 1.004 1259 I CA -0.635 60.648 61.300 -0.028 0.000 1.311 1259 I CB 1.828 39.798 38.000 -0.050 0.000 1.401 1259 I HN 0.210 nan 8.210 nan 0.000 0.491 1260 V N 7.307 127.214 119.914 -0.012 0.000 2.419 1260 V HA 0.226 4.346 4.120 0.000 0.000 0.287 1260 V C -0.215 175.881 176.094 0.003 0.000 1.017 1260 V CA -0.714 61.583 62.300 -0.005 0.000 0.844 1260 V CB 1.596 33.419 31.823 -0.001 0.000 1.011 1260 V HN 0.385 nan 8.190 nan 0.000 0.429 1261 V N 4.159 124.073 119.914 -0.000 0.000 2.372 1261 V HA 0.179 4.299 4.120 0.000 0.000 0.261 1261 V C 1.213 177.314 176.094 0.013 0.000 1.055 1261 V CA 0.261 62.567 62.300 0.011 0.000 0.930 1261 V CB 0.661 32.486 31.823 0.003 0.000 1.031 1261 V HN 0.914 nan 8.190 nan 0.000 0.479 1262 T N 3.364 117.931 114.554 0.022 0.000 2.983 1262 T HA 0.063 4.414 4.350 0.000 0.000 0.250 1262 T C 0.592 175.306 174.700 0.023 0.000 1.037 1262 T CA 0.762 62.874 62.100 0.020 0.000 1.142 1262 T CB 0.104 68.986 68.868 0.023 0.000 0.876 1262 T HN 0.899 nan 8.240 nan 0.000 0.455 1263 E N 1.130 121.349 120.200 0.032 0.000 2.383 1263 E HA 0.532 4.882 4.350 0.000 0.000 0.275 1263 E C -0.985 175.640 176.600 0.041 0.000 0.918 1263 E CA -0.995 55.427 56.400 0.036 0.000 0.764 1263 E CB 2.022 31.748 29.700 0.044 0.000 1.252 1263 E HN 0.347 nan 8.360 nan 0.000 0.449 1264 I N -2.318 118.273 120.570 0.036 0.000 3.237 1264 I HA 0.670 4.840 4.170 0.000 0.000 0.308 1264 I C -2.791 173.340 176.117 0.024 0.000 1.093 1264 I CA -2.931 58.387 61.300 0.030 0.000 1.001 1264 I CB 1.909 39.915 38.000 0.009 0.000 1.245 1264 I HN 0.298 nan 8.210 nan 0.000 0.485 1265 P HA 0.221 nan 4.420 nan 0.000 0.276 1265 P C -0.802 176.479 177.300 -0.032 0.000 1.244 1265 P CA -0.187 62.880 63.100 -0.055 0.000 0.801 1265 P CB 0.346 32.012 31.700 -0.056 0.000 1.006 1266 F N 1.939 121.670 119.950 -0.364 0.000 2.563 1266 F HA 0.012 4.540 4.527 0.000 0.000 0.363 1266 F C 1.527 177.269 175.800 -0.097 0.000 1.123 1266 F CA 0.846 58.685 58.000 -0.268 0.000 1.307 1266 F CB -0.200 38.445 39.000 -0.592 0.000 1.115 1266 F HN 0.569 nan 8.300 nan 0.000 0.592 1267 Q N 0.567 120.013 119.800 -0.590 0.000 2.282 1267 Q HA -0.196 4.144 4.340 0.000 0.000 0.182 1267 Q C -0.228 175.642 176.000 -0.217 0.000 0.609 1267 Q CA 0.959 56.445 55.803 -0.527 0.000 1.397 1267 Q CB -1.544 26.809 28.738 -0.643 0.000 1.458 1267 Q HN 0.393 nan 8.270 nan 0.000 0.852 1268 V N 2.636 122.466 119.914 -0.140 0.000 2.446 1268 V HA 0.021 4.141 4.120 0.000 0.000 0.276 1268 V C 0.783 176.828 176.094 -0.081 0.000 1.030 1268 V CA 0.054 62.302 62.300 -0.085 0.000 1.033 1268 V CB 0.948 32.739 31.823 -0.052 0.000 0.993 1268 V HN 0.220 nan 8.190 nan 0.000 0.477 1269 N N 4.646 123.303 118.700 -0.073 0.000 2.423 1269 N HA -0.030 4.710 4.740 0.000 0.000 0.275 1269 N C 1.149 176.620 175.510 -0.065 0.000 1.283 1269 N CA 0.264 53.273 53.050 -0.070 0.000 0.932 1269 N CB 0.500 38.956 38.487 -0.053 0.000 1.185 1269 N HN 0.707 nan 8.380 nan 0.000 0.483 1270 K N 3.769 124.120 120.400 -0.081 0.000 2.026 1270 K HA -0.136 4.184 4.320 0.000 0.000 0.208 1270 K C 1.758 178.325 176.600 -0.054 0.000 1.048 1270 K CA 1.450 57.696 56.287 -0.068 0.000 0.929 1270 K CB -0.058 32.391 32.500 -0.084 0.000 0.713 1270 K HN 0.579 nan 8.250 nan 0.000 0.439 1271 A N 1.136 123.922 122.820 -0.057 0.000 1.883 1271 A HA -0.203 4.117 4.320 0.000 0.000 0.217 1271 A C 2.145 179.707 177.584 -0.036 0.000 1.186 1271 A CA 1.852 53.863 52.037 -0.044 0.000 0.624 1271 A CB -0.571 18.404 19.000 -0.042 0.000 0.822 1271 A HN 0.248 nan 8.150 nan 0.000 0.444 1272 R N -0.770 119.708 120.500 -0.036 0.000 2.115 1272 R HA -0.039 4.301 4.340 0.000 0.000 0.230 1272 R C 2.219 178.503 176.300 -0.027 0.000 1.111 1272 R CA 1.695 57.777 56.100 -0.030 0.000 0.976 1272 R CB -0.605 29.677 30.300 -0.030 0.000 0.870 1272 R HN 0.763 nan 8.270 nan 0.000 0.445 1273 M N -0.557 119.025 119.600 -0.030 0.000 2.098 1273 M HA -0.139 4.341 4.480 0.000 0.000 0.262 1273 M C 1.225 177.510 176.300 -0.026 0.000 1.072 1273 M CA 1.634 56.919 55.300 -0.026 0.000 1.133 1273 M CB -0.065 32.520 32.600 -0.024 0.000 1.344 1273 M HN 0.006 nan 8.290 nan 0.000 0.414 1274 I N 1.962 122.515 120.570 -0.029 0.000 2.185 1274 I HA -0.326 3.844 4.170 0.000 0.000 0.246 1274 I C 2.503 178.605 176.117 -0.025 0.000 1.088 1274 I CA 2.380 63.664 61.300 -0.028 0.000 1.347 1274 I CB -1.875 36.107 38.000 -0.029 0.000 1.041 1274 I HN 0.614 nan 8.210 nan 0.000 0.415 1275 E N 1.117 121.303 120.200 -0.024 0.000 2.268 1275 E HA -0.251 4.099 4.350 0.000 0.000 0.195 1275 E C 2.157 178.745 176.600 -0.019 0.000 0.995 1275 E CA 1.330 57.718 56.400 -0.020 0.000 0.836 1275 E CB -0.145 29.543 29.700 -0.019 0.000 0.763 1275 E HN 0.512 nan 8.360 nan 0.000 0.491 1276 K N 0.756 121.144 120.400 -0.020 0.000 2.099 1276 K HA 0.033 4.353 4.320 0.000 0.000 0.203 1276 K C 2.075 178.663 176.600 -0.021 0.000 1.047 1276 K CA 0.822 57.098 56.287 -0.018 0.000 0.963 1276 K CB -0.093 32.397 32.500 -0.017 0.000 0.759 1276 K HN 0.119 nan 8.250 nan 0.000 0.451 1277 I N 1.605 122.160 120.570 -0.025 0.000 2.194 1277 I HA -0.334 3.836 4.170 0.000 0.000 0.246 1277 I C 2.407 178.508 176.117 -0.026 0.000 1.093 1277 I CA 1.561 62.843 61.300 -0.030 0.000 1.355 1277 I CB -0.296 37.682 38.000 -0.036 0.000 1.046 1277 I HN 0.332 nan 8.210 nan 0.000 0.413 1278 A N -0.284 122.522 122.820 -0.024 0.000 1.898 1278 A HA -0.251 4.070 4.320 0.000 0.000 0.216 1278 A C 2.347 179.920 177.584 -0.018 0.000 1.181 1278 A CA 1.718 53.743 52.037 -0.021 0.000 0.620 1278 A CB -0.622 18.366 19.000 -0.019 0.000 0.819 1278 A HN 0.478 nan 8.150 nan 0.000 0.442 1279 E N 0.128 120.318 120.200 -0.017 0.000 2.049 1279 E HA -0.215 4.135 4.350 0.000 0.000 0.198 1279 E C 2.004 178.596 176.600 -0.014 0.000 1.007 1279 E CA 1.464 57.855 56.400 -0.014 0.000 0.809 1279 E CB -0.278 29.413 29.700 -0.014 0.000 0.749 1279 E HN 0.632 nan 8.360 nan 0.000 0.450 1280 L N 0.492 121.705 121.223 -0.016 0.000 2.051 1280 L HA -0.261 4.079 4.340 0.000 0.000 0.214 1280 L C 2.671 179.531 176.870 -0.016 0.000 1.076 1280 L CA 1.295 56.125 54.840 -0.016 0.000 0.758 1280 L CB -0.601 41.446 42.059 -0.019 0.000 0.890 1280 L HN 0.114 nan 8.230 nan 0.000 0.433 1281 V N -0.354 119.549 119.914 -0.018 0.000 2.261 1281 V HA -0.325 3.795 4.120 0.000 0.000 0.246 1281 V C 2.620 178.706 176.094 -0.014 0.000 1.047 1281 V CA 2.142 64.432 62.300 -0.017 0.000 1.015 1281 V CB -0.868 30.944 31.823 -0.019 0.000 0.642 1281 V HN 0.499 nan 8.190 nan 0.000 0.446 1282 R N 0.418 120.911 120.500 -0.013 0.000 2.134 1282 R HA -0.265 4.075 4.340 0.000 0.000 0.248 1282 R C 1.897 178.191 176.300 -0.010 0.000 1.143 1282 R CA 2.568 58.662 56.100 -0.011 0.000 0.957 1282 R CB -0.469 29.825 30.300 -0.011 0.000 0.867 1282 R HN 0.555 nan 8.270 nan 0.000 0.441 1283 D N -0.501 119.893 120.400 -0.010 0.000 2.289 1283 D HA -0.096 4.544 4.640 0.000 0.000 0.207 1283 D C 0.844 177.139 176.300 -0.008 0.000 0.966 1283 D CA 0.988 54.983 54.000 -0.009 0.000 0.868 1283 D CB 0.234 41.029 40.800 -0.008 0.000 0.943 1283 D HN 0.329 nan 8.370 nan 0.000 0.514 1284 K N 0.304 120.698 120.400 -0.009 0.000 3.436 1284 K HA -0.188 4.132 4.320 0.000 0.000 0.260 1284 K C 0.576 177.171 176.600 -0.009 0.000 1.281 1284 K CA 0.557 56.839 56.287 -0.009 0.000 0.925 1284 K CB -1.532 30.963 32.500 -0.007 0.000 1.495 1284 K HN 0.088 nan 8.250 nan 0.000 0.528 1285 K N 0.620 121.015 120.400 -0.010 0.000 2.283 1285 K HA 0.151 4.471 4.320 0.000 0.000 0.202 1285 K C 1.196 177.789 176.600 -0.012 0.000 1.048 1285 K CA 1.424 57.705 56.287 -0.009 0.000 0.948 1285 K CB 0.116 32.611 32.500 -0.009 0.000 0.742 1285 K HN 0.369 nan 8.250 nan 0.000 0.458 1286 I N -0.108 120.454 120.570 -0.015 0.000 2.865 1286 I HA 0.167 4.337 4.170 0.000 0.000 0.302 1286 I C -1.880 174.226 176.117 -0.018 0.000 1.140 1286 I CA -0.880 60.409 61.300 -0.018 0.000 1.021 1286 I CB 2.243 40.228 38.000 -0.025 0.000 1.233 1286 I HN -0.155 nan 8.210 nan 0.000 0.427 1287 D N 3.868 124.256 120.400 -0.019 0.000 2.780 1287 D HA 0.570 5.210 4.640 0.000 0.000 0.242 1287 D C 0.304 176.593 176.300 -0.019 0.000 1.135 1287 D CA 0.553 54.543 54.000 -0.016 0.000 0.859 1287 D CB 2.197 42.989 40.800 -0.013 0.000 1.530 1287 D HN 0.836 nan 8.370 nan 0.000 0.493 1288 G N 2.830 111.619 108.800 -0.017 0.000 2.195 1288 G HA2 -0.184 3.776 3.960 0.000 0.000 0.224 1288 G HA3 -0.184 3.776 3.960 0.000 0.000 0.224 1288 G C 0.249 175.136 174.900 -0.021 0.000 0.990 1288 G CA -0.024 45.065 45.100 -0.018 0.000 0.639 1288 G HN 0.481 nan 8.290 nan 0.000 0.514 1289 I N 2.846 123.402 120.570 -0.023 0.000 2.505 1289 I HA 0.301 4.471 4.170 0.000 0.000 0.287 1289 I C 1.807 177.913 176.117 -0.019 0.000 1.104 1289 I CA 1.151 62.436 61.300 -0.024 0.000 1.387 1289 I CB 0.353 38.337 38.000 -0.027 0.000 1.404 1289 I HN 0.321 nan 8.210 nan 0.000 0.528 1290 T N 1.695 116.238 114.554 -0.018 0.000 3.034 1290 T HA 0.113 4.463 4.350 0.000 0.000 0.248 1290 T C 0.488 175.179 174.700 -0.015 0.000 1.040 1290 T CA 0.346 62.437 62.100 -0.015 0.000 1.107 1290 T CB 0.400 69.261 68.868 -0.013 0.000 0.932 1290 T HN 0.505 nan 8.240 nan 0.000 0.474 1291 D N -0.486 119.904 120.400 -0.017 0.000 2.596 1291 D HA 0.612 5.252 4.640 0.000 0.000 0.262 1291 D C -2.031 174.257 176.300 -0.020 0.000 1.210 1291 D CA -0.676 53.314 54.000 -0.017 0.000 0.873 1291 D CB 2.304 43.096 40.800 -0.014 0.000 1.408 1291 D HN 0.306 nan 8.370 nan 0.000 0.441 1292 L N 0.950 122.161 121.223 -0.019 0.000 2.639 1292 L HA 0.562 4.902 4.340 0.000 0.000 0.264 1292 L C -1.827 175.031 176.870 -0.020 0.000 0.948 1292 L CA -0.214 54.612 54.840 -0.022 0.000 0.912 1292 L CB 1.322 43.366 42.059 -0.024 0.000 1.294 1292 L HN 0.399 nan 8.230 nan 0.000 0.412 1293 R N 2.683 123.172 120.500 -0.019 0.000 2.686 1293 R HA 0.473 4.813 4.340 0.000 0.000 0.283 1293 R C -1.489 174.800 176.300 -0.019 0.000 0.978 1293 R CA -0.937 55.152 56.100 -0.018 0.000 0.897 1293 R CB 2.180 32.471 30.300 -0.015 0.000 1.192 1293 R HN 0.556 nan 8.270 nan 0.000 0.457 1294 D N 2.195 122.583 120.400 -0.019 0.000 2.493 1294 D HA 0.092 4.732 4.640 0.000 0.000 0.235 1294 D C 0.110 176.399 176.300 -0.019 0.000 1.117 1294 D CA -0.091 53.896 54.000 -0.022 0.000 0.930 1294 D CB 0.851 41.635 40.800 -0.026 0.000 1.010 1294 D HN 0.520 nan 8.370 nan 0.000 0.514 1295 E N 0.554 120.745 120.200 -0.015 0.000 2.427 1295 E HA -0.013 4.337 4.350 0.000 0.000 0.196 1295 E C 0.244 176.837 176.600 -0.012 0.000 1.028 1295 E CA 0.307 56.700 56.400 -0.012 0.000 0.864 1295 E CB 0.289 29.983 29.700 -0.009 0.000 0.813 1295 E HN 0.351 nan 8.360 nan 0.000 0.514 1296 T N 1.820 116.365 114.554 -0.016 0.000 2.718 1296 T HA -0.016 4.334 4.350 0.000 0.000 0.265 1296 T C 0.014 174.706 174.700 -0.014 0.000 1.014 1296 T CA 0.478 62.567 62.100 -0.017 0.000 1.172 1296 T CB 0.079 68.929 68.868 -0.029 0.000 1.007 1296 T HN 0.146 nan 8.240 nan 0.000 0.500 1297 S N 3.693 119.390 115.700 -0.006 0.000 2.607 1297 S HA 0.471 4.941 4.470 0.000 0.000 0.273 1297 S C 0.895 175.500 174.600 0.009 0.000 1.148 1297 S CA -1.163 57.037 58.200 0.001 0.000 0.833 1297 S CB 1.181 64.382 63.200 0.001 0.000 1.130 1297 S HN 0.495 nan 8.310 nan 0.000 0.470 1298 L N 1.125 122.358 121.223 0.016 0.000 1.978 1298 L HA -0.120 4.220 4.340 0.000 0.000 0.218 1298 L C 2.638 179.520 176.870 0.020 0.000 1.075 1298 L CA 1.806 56.660 54.840 0.024 0.000 0.767 1298 L CB -0.428 41.648 42.059 0.028 0.000 0.890 1298 L HN 0.881 nan 8.230 nan 0.000 0.434 1299 R N -1.158 119.351 120.500 0.016 0.000 2.285 1299 R HA -0.107 4.233 4.340 0.000 0.000 0.213 1299 R C 1.478 177.785 176.300 0.012 0.000 1.068 1299 R CA 1.497 57.605 56.100 0.013 0.000 1.004 1299 R CB -0.085 30.221 30.300 0.011 0.000 0.873 1299 R HN 0.595 nan 8.270 nan 0.000 0.467 1300 T N -4.416 110.145 114.554 0.011 0.000 3.058 1300 T HA 0.301 4.651 4.350 0.000 0.000 0.278 1300 T C 0.858 175.563 174.700 0.009 0.000 0.974 1300 T CA 0.063 62.168 62.100 0.008 0.000 0.893 1300 T CB 0.730 69.601 68.868 0.005 0.000 1.138 1300 T HN 0.298 nan 8.240 nan 0.000 0.529 1301 G N 1.865 110.673 108.800 0.013 0.000 2.682 1301 G HA2 -0.192 3.768 3.960 0.000 0.000 0.256 1301 G HA3 -0.192 3.768 3.960 0.000 0.000 0.256 1301 G C -0.233 174.670 174.900 0.005 0.000 1.333 1301 G CA -0.468 44.640 45.100 0.014 0.000 0.904 1301 G HN 0.990 nan 8.290 nan 0.000 0.569 1302 V N 0.883 120.799 119.914 0.004 0.000 2.557 1302 V HA 0.363 4.483 4.120 0.000 0.000 0.301 1302 V C 1.089 177.182 176.094 -0.002 0.000 1.026 1302 V CA 1.266 63.564 62.300 -0.005 0.000 1.137 1302 V CB 0.847 32.668 31.823 -0.003 0.000 0.917 1302 V HN 0.784 nan 8.190 nan 0.000 0.484 1303 R N 3.505 124.001 120.500 -0.008 0.000 2.631 1303 R HA 0.543 4.883 4.340 0.000 0.000 0.289 1303 R C -1.746 174.547 176.300 -0.012 0.000 1.303 1303 R CA -0.340 55.756 56.100 -0.006 0.000 0.989 1303 R CB 1.897 32.194 30.300 -0.005 0.000 1.208 1303 R HN 0.572 nan 8.270 nan 0.000 0.461 1304 V N 4.449 124.356 119.914 -0.012 0.000 2.459 1304 V HA 0.471 4.591 4.120 0.000 0.000 0.295 1304 V C -0.422 175.662 176.094 -0.017 0.000 1.029 1304 V CA -0.668 61.622 62.300 -0.017 0.000 0.874 1304 V CB 2.041 33.852 31.823 -0.021 0.000 0.985 1304 V HN 0.368 nan 8.190 nan 0.000 0.438 1305 V N 6.565 126.468 119.914 -0.019 0.000 2.443 1305 V HA 0.486 4.606 4.120 0.000 0.000 0.293 1305 V C -0.304 175.777 176.094 -0.022 0.000 1.021 1305 V CA -0.392 61.897 62.300 -0.018 0.000 0.848 1305 V CB 1.737 33.552 31.823 -0.014 0.000 0.998 1305 V HN 0.675 nan 8.190 nan 0.000 0.424 1306 I N 2.794 123.347 120.570 -0.027 0.000 2.330 1306 I HA 0.497 4.667 4.170 0.000 0.000 0.289 1306 I C -0.568 175.533 176.117 -0.027 0.000 1.001 1306 I CA -0.539 60.742 61.300 -0.031 0.000 1.193 1306 I CB 1.433 39.407 38.000 -0.043 0.000 1.345 1306 I HN 0.387 nan 8.210 nan 0.000 0.461 1307 D N 5.872 126.258 120.400 -0.023 0.000 2.264 1307 D HA 0.374 5.014 4.640 0.000 0.000 0.250 1307 D C -0.298 175.989 176.300 -0.020 0.000 1.113 1307 D CA -0.067 53.921 54.000 -0.019 0.000 0.871 1307 D CB 2.718 43.509 40.800 -0.016 0.000 1.167 1307 D HN 0.165 nan 8.370 nan 0.000 0.447 1308 V N 3.310 123.213 119.914 -0.019 0.000 2.513 1308 V HA 0.336 4.456 4.120 0.000 0.000 0.299 1308 V C 0.943 177.028 176.094 -0.014 0.000 1.035 1308 V CA -0.840 61.449 62.300 -0.019 0.000 0.889 1308 V CB 2.020 33.831 31.823 -0.020 0.000 0.988 1308 V HN 0.387 nan 8.190 nan 0.000 0.440 1309 R N 1.841 122.333 120.500 -0.014 0.000 2.822 1309 R HA 0.156 4.496 4.340 0.000 0.000 0.277 1309 R C 1.391 177.686 176.300 -0.009 0.000 1.102 1309 R CA -0.071 56.022 56.100 -0.011 0.000 1.207 1309 R CB 0.389 30.683 30.300 -0.010 0.000 1.139 1309 R HN 0.643 nan 8.270 nan 0.000 0.557 1310 K N 0.391 120.787 120.400 -0.008 0.000 2.002 1310 K HA -0.133 4.187 4.320 0.000 0.000 0.209 1310 K C 0.892 177.488 176.600 -0.006 0.000 1.048 1310 K CA 1.421 57.704 56.287 -0.006 0.000 0.930 1310 K CB -0.023 32.474 32.500 -0.005 0.000 0.714 1310 K HN 0.475 nan 8.250 nan 0.000 0.438 1311 D N 0.342 120.738 120.400 -0.006 0.000 2.370 1311 D HA 0.016 4.656 4.640 0.000 0.000 0.256 1311 D C -0.966 175.330 176.300 -0.007 0.000 1.197 1311 D CA 0.285 54.281 54.000 -0.006 0.000 0.922 1311 D CB 0.029 40.825 40.800 -0.006 0.000 0.911 1311 D HN 0.191 nan 8.370 nan 0.000 0.517 1312 A N 0.592 123.408 122.820 -0.008 0.000 2.422 1312 A HA 0.329 4.649 4.320 0.000 0.000 0.302 1312 A C -0.250 177.329 177.584 -0.009 0.000 1.041 1312 A CA -0.815 51.217 52.037 -0.009 0.000 0.708 1312 A CB 1.479 20.472 19.000 -0.012 0.000 1.257 1312 A HN 0.014 nan 8.150 nan 0.000 0.414 1313 N N 1.616 120.311 118.700 -0.009 0.000 2.488 1313 N HA 0.397 5.137 4.740 0.000 0.000 0.274 1313 N C 0.829 176.331 175.510 -0.014 0.000 1.111 1313 N CA 0.565 53.610 53.050 -0.008 0.000 0.974 1313 N CB 1.751 40.235 38.487 -0.005 0.000 1.089 1313 N HN 0.648 nan 8.380 nan 0.000 0.465 1314 A N 2.832 125.644 122.820 -0.014 0.000 1.956 1314 A HA 0.011 4.331 4.320 0.000 0.000 0.212 1314 A C 2.161 179.730 177.584 -0.025 0.000 1.188 1314 A CA 0.542 52.566 52.037 -0.023 0.000 0.675 1314 A CB -0.502 18.485 19.000 -0.021 0.000 0.845 1314 A HN 0.672 nan 8.150 nan 0.000 0.455 1315 S N -0.494 115.200 115.700 -0.010 0.000 2.374 1315 S HA -0.177 4.293 4.470 0.000 0.000 0.227 1315 S C 1.991 176.590 174.600 -0.000 0.000 1.037 1315 S CA 1.635 59.835 58.200 0.001 0.000 1.024 1315 S CB -0.473 62.734 63.200 0.011 0.000 0.861 1315 S HN 0.558 nan 8.310 nan 0.000 0.456 1316 V N 1.495 121.406 119.914 -0.004 0.000 2.270 1316 V HA -0.118 4.002 4.120 0.000 0.000 0.245 1316 V C 1.868 177.946 176.094 -0.025 0.000 1.043 1316 V CA 1.876 64.173 62.300 -0.005 0.000 1.014 1316 V CB -0.484 31.337 31.823 -0.003 0.000 0.645 1316 V HN 0.575 nan 8.190 nan 0.000 0.447 1317 I N -0.363 120.184 120.570 -0.038 0.000 2.248 1317 I HA -0.247 3.923 4.170 0.000 0.000 0.248 1317 I C 2.408 178.461 176.117 -0.107 0.000 1.107 1317 I CA 1.927 63.191 61.300 -0.059 0.000 1.373 1317 I CB -0.372 37.595 38.000 -0.055 0.000 1.055 1317 I HN 0.429 nan 8.210 nan 0.000 0.418 1318 L N 1.139 122.286 121.223 -0.126 0.000 1.994 1318 L HA -0.233 4.107 4.340 0.000 0.000 0.208 1318 L C 2.175 178.832 176.870 -0.356 0.000 1.071 1318 L CA 1.992 56.679 54.840 -0.254 0.000 0.745 1318 L CB -0.844 41.115 42.059 -0.168 0.000 0.892 1318 L HN 0.217 nan 8.230 nan 0.000 0.431 1319 N N 0.150 118.794 118.700 -0.092 0.000 2.149 1319 N HA -0.183 4.557 4.740 0.000 0.000 0.188 1319 N C 1.586 177.117 175.510 0.035 0.000 1.019 1319 N CA 1.520 54.623 53.050 0.088 0.000 0.857 1319 N CB -0.713 37.848 38.487 0.124 0.000 0.997 1319 N HN 0.432 nan 8.380 nan 0.000 0.426 1320 N N 0.365 119.045 118.700 -0.033 0.000 2.244 1320 N HA -0.034 4.706 4.740 0.000 0.000 0.183 1320 N C 1.433 176.910 175.510 -0.055 0.000 1.016 1320 N CA 0.242 53.277 53.050 -0.025 0.000 0.866 1320 N CB -0.235 38.234 38.487 -0.029 0.000 0.980 1320 N HN 0.077 nan 8.380 nan 0.000 0.430 1321 L N -0.101 121.031 121.223 -0.152 0.000 2.056 1321 L HA -0.091 4.249 4.340 0.000 0.000 0.207 1321 L C 1.426 178.233 176.870 -0.104 0.000 1.078 1321 L CA 1.449 56.185 54.840 -0.172 0.000 0.749 1321 L CB -1.130 40.764 42.059 -0.275 0.000 0.901 1321 L HN 0.181 nan 8.230 nan 0.000 0.433 1322 Y N 0.113 120.411 120.300 -0.004 0.000 2.070 1322 Y HA -0.300 4.250 4.550 0.000 0.000 0.280 1322 Y C 2.660 178.558 175.900 -0.003 0.000 1.148 1322 Y CA 1.598 59.697 58.100 -0.003 0.000 1.125 1322 Y CB -1.083 37.377 38.460 0.000 0.000 0.975 1322 Y HN 0.079 nan 8.280 nan 0.000 0.492 1323 K N -0.348 120.150 120.400 0.164 0.000 2.097 1323 K HA -0.299 4.021 4.320 0.000 0.000 0.214 1323 K C 1.819 178.450 176.600 0.052 0.000 1.052 1323 K CA 2.306 58.644 56.287 0.085 0.000 0.932 1323 K CB -0.157 32.378 32.500 0.059 0.000 0.716 1323 K HN 0.185 nan 8.250 nan 0.000 0.455 1324 Q N -0.384 119.436 119.800 0.033 0.000 2.149 1324 Q HA 0.123 4.463 4.340 0.000 0.000 0.221 1324 Q C -1.196 174.810 176.000 0.009 0.000 0.807 1324 Q CA 0.025 55.837 55.803 0.015 0.000 1.000 1324 Q CB 1.167 29.907 28.738 0.003 0.000 1.157 1324 Q HN 0.382 nan 8.270 nan 0.000 0.487 1325 T N -4.227 110.337 114.554 0.017 0.000 2.906 1325 T HA 0.473 4.823 4.350 0.000 0.000 0.295 1325 T C -2.250 172.469 174.700 0.031 0.000 1.061 1325 T CA -2.067 60.039 62.100 0.010 0.000 1.000 1325 T CB 1.614 70.476 68.868 -0.010 0.000 1.103 1325 T HN -0.275 nan 8.240 nan 0.000 0.486 1326 P HA -0.128 nan 4.420 nan 0.000 0.221 1326 P C 1.478 178.805 177.300 0.045 0.000 1.140 1326 P CA 0.388 63.499 63.100 0.019 0.000 0.797 1326 P CB -0.085 31.613 31.700 -0.003 0.000 0.756 1327 L N -1.150 120.114 121.223 0.067 0.000 2.197 1327 L HA -0.137 4.203 4.340 0.000 0.000 0.215 1327 L C 1.189 178.200 176.870 0.235 0.000 1.095 1327 L CA 1.755 56.671 54.840 0.127 0.000 0.764 1327 L CB -1.028 41.087 42.059 0.093 0.000 0.897 1327 L HN 0.121 nan 8.230 nan 0.000 0.436 1328 Q N -1.202 118.727 119.800 0.215 0.000 2.333 1328 Q HA 0.420 4.760 4.340 0.000 0.000 0.267 1328 Q C -1.207 174.825 176.000 0.053 0.000 1.012 1328 Q CA -0.366 55.498 55.803 0.101 0.000 0.824 1328 Q CB 1.619 30.390 28.738 0.054 0.000 1.290 1328 Q HN 0.057 nan 8.270 nan 0.000 0.449 1329 T N 1.708 116.275 114.554 0.022 0.000 2.912 1329 T HA 0.325 4.675 4.350 0.000 0.000 0.299 1329 T C -1.111 173.605 174.700 0.027 0.000 1.052 1329 T CA -0.571 61.538 62.100 0.015 0.000 0.996 1329 T CB 1.707 70.575 68.868 0.001 0.000 1.070 1329 T HN 0.599 nan 8.240 nan 0.000 0.465 1330 S N 2.221 117.940 115.700 0.031 0.000 2.554 1330 S HA 0.636 5.106 4.470 0.000 0.000 0.278 1330 S C -0.725 173.939 174.600 0.106 0.000 1.242 1330 S CA -0.597 57.640 58.200 0.061 0.000 1.051 1330 S CB 0.205 63.425 63.200 0.032 0.000 0.986 1330 S HN 0.544 nan 8.310 nan 0.000 0.502 1331 F N 3.525 123.490 119.950 0.025 0.000 2.385 1331 F HA 0.587 5.114 4.527 0.000 0.000 0.360 1331 F C 0.707 176.546 175.800 0.065 0.000 1.122 1331 F CA -0.477 57.559 58.000 0.061 0.000 1.090 1331 F CB 0.720 39.802 39.000 0.137 0.000 1.150 1331 F HN 0.768 nan 8.300 nan 0.000 0.472 1332 G N 6.429 115.064 108.800 -0.274 0.000 2.448 1332 G HA2 0.429 4.389 3.960 0.000 0.000 0.309 1332 G HA3 0.429 4.389 3.960 0.000 0.000 0.309 1332 G C -0.803 174.040 174.900 -0.094 0.000 1.027 1332 G CA -0.412 44.609 45.100 -0.131 0.000 1.104 1332 G HN 0.530 nan 8.290 nan 0.000 0.428 1333 V N 2.992 122.982 119.914 0.126 0.000 2.555 1333 V HA 0.230 4.350 4.120 0.000 0.000 0.286 1333 V C 0.606 176.770 176.094 0.116 0.000 1.044 1333 V CA -0.298 62.133 62.300 0.218 0.000 1.026 1333 V CB 1.225 33.217 31.823 0.283 0.000 0.981 1333 V HN 0.828 nan 8.190 nan 0.000 0.480 1334 N N 4.349 123.119 118.700 0.117 0.000 2.751 1334 N HA 0.263 5.003 4.740 0.000 0.000 0.234 1334 N C -0.315 175.244 175.510 0.082 0.000 1.403 1334 N CA -0.464 52.630 53.050 0.073 0.000 0.747 1334 N CB 0.537 39.040 38.487 0.027 0.000 1.326 1334 N HN 0.676 nan 8.380 nan 0.000 0.532 1335 M N 3.060 122.717 119.600 0.096 0.000 3.705 1335 M HA 0.222 4.703 4.480 0.000 0.000 0.191 1335 M C -0.419 175.909 176.300 0.046 0.000 1.570 1335 M CA 0.563 55.913 55.300 0.084 0.000 1.714 1335 M CB -0.396 32.260 32.600 0.094 0.000 1.148 1335 M HN 0.364 nan 8.290 nan 0.000 0.547 1336 I N 1.259 121.851 120.570 0.036 0.000 2.440 1336 I HA 0.673 4.843 4.170 0.000 0.000 0.294 1336 I C 0.199 176.316 176.117 0.001 0.000 0.995 1336 I CA -0.500 60.809 61.300 0.015 0.000 1.306 1336 I CB 1.364 39.371 38.000 0.013 0.000 1.407 1336 I HN 0.478 nan 8.210 nan 0.000 0.501 1337 A N 5.757 128.566 122.820 -0.020 0.000 2.586 1337 A HA 0.498 4.818 4.320 0.000 0.000 0.291 1337 A C -1.245 176.302 177.584 -0.062 0.000 1.062 1337 A CA -0.694 51.319 52.037 -0.039 0.000 0.666 1337 A CB 1.020 19.990 19.000 -0.049 0.000 1.281 1337 A HN 0.548 nan 8.150 nan 0.000 0.421 1338 L N 1.803 122.983 121.223 -0.072 0.000 2.485 1338 L HA 0.310 4.650 4.340 0.000 0.000 0.279 1338 L C -0.677 176.112 176.870 -0.135 0.000 1.124 1338 L CA -0.138 54.652 54.840 -0.083 0.000 0.888 1338 L CB 0.249 42.265 42.059 -0.071 0.000 1.217 1338 L HN 0.446 nan 8.230 nan 0.000 0.464 1339 V N 4.160 123.987 119.914 -0.145 0.000 2.459 1339 V HA 0.257 4.377 4.120 0.000 0.000 0.295 1339 V C 0.302 176.318 176.094 -0.129 0.000 1.029 1339 V CA -0.917 61.250 62.300 -0.222 0.000 0.874 1339 V CB 1.577 33.213 31.823 -0.310 0.000 0.985 1339 V HN 0.863 nan 8.190 nan 0.000 0.438 1340 N N 4.163 122.794 118.700 -0.114 0.000 2.707 1340 N HA -0.261 4.479 4.740 0.000 0.000 0.253 1340 N C 1.206 176.691 175.510 -0.043 0.000 0.998 1340 N CA 1.329 54.347 53.050 -0.052 0.000 0.751 1340 N CB -1.136 37.341 38.487 -0.016 0.000 0.920 1340 N HN 1.479 nan 8.380 nan 0.000 0.539 1341 G N -0.940 107.827 108.800 -0.054 0.000 3.078 1341 G HA2 -0.432 3.528 3.960 0.000 0.000 0.227 1341 G HA3 -0.432 3.528 3.960 0.000 0.000 0.227 1341 G C 0.308 175.188 174.900 -0.034 0.000 1.306 1341 G CA 0.832 45.909 45.100 -0.039 0.000 0.841 1341 G HN 0.588 nan 8.290 nan 0.000 0.530 1342 R N 2.091 122.573 120.500 -0.030 0.000 2.582 1342 R HA 0.517 4.857 4.340 0.000 0.000 0.271 1342 R C -2.475 173.804 176.300 -0.034 0.000 1.078 1342 R CA -1.268 54.817 56.100 -0.024 0.000 1.127 1342 R CB 0.402 30.694 30.300 -0.014 0.000 1.038 1342 R HN 0.240 nan 8.270 nan 0.000 0.500 1343 P HA 0.119 nan 4.420 nan 0.000 0.282 1343 P C -0.970 176.316 177.300 -0.024 0.000 1.262 1343 P CA -0.095 62.989 63.100 -0.026 0.000 0.773 1343 P CB 0.847 32.538 31.700 -0.014 0.000 0.879 1344 K N 2.393 122.774 120.400 -0.032 0.000 2.295 1344 K HA 0.546 4.866 4.320 0.000 0.000 0.239 1344 K C -0.884 175.712 176.600 -0.008 0.000 0.991 1344 K CA -1.199 55.077 56.287 -0.019 0.000 0.845 1344 K CB 1.610 34.092 32.500 -0.030 0.000 1.197 1344 K HN 0.356 nan 8.250 nan 0.000 0.441 1345 L N 4.994 126.221 121.223 0.007 0.000 2.277 1345 L HA 0.409 4.749 4.340 0.000 0.000 0.284 1345 L C -0.268 176.618 176.870 0.026 0.000 1.028 1345 L CA -0.536 54.315 54.840 0.018 0.000 0.835 1345 L CB 0.472 42.544 42.059 0.023 0.000 1.215 1345 L HN 0.462 nan 8.230 nan 0.000 0.425 1346 I N 1.687 122.274 120.570 0.027 0.000 2.566 1346 I HA 0.534 4.704 4.170 0.000 0.000 0.303 1346 I C -0.500 175.643 176.117 0.045 0.000 0.983 1346 I CA -0.681 60.642 61.300 0.038 0.000 1.235 1346 I CB 1.576 39.598 38.000 0.036 0.000 1.386 1346 I HN 0.759 nan 8.210 nan 0.000 0.494 1347 N N 4.822 123.548 118.700 0.044 0.000 2.448 1347 N HA 0.211 4.951 4.740 0.000 0.000 0.274 1347 N C 0.843 176.355 175.510 0.004 0.000 1.239 1347 N CA -0.861 52.217 53.050 0.048 0.000 0.982 1347 N CB 0.870 39.387 38.487 0.050 0.000 1.199 1347 N HN 0.786 nan 8.380 nan 0.000 0.576 1348 L N -0.202 121.004 121.223 -0.028 0.000 1.951 1348 L HA -0.271 4.069 4.340 0.000 0.000 0.222 1348 L C 2.250 179.033 176.870 -0.145 0.000 1.078 1348 L CA 2.481 57.204 54.840 -0.195 0.000 0.778 1348 L CB -0.755 41.066 42.059 -0.397 0.000 0.893 1348 L HN 0.948 nan 8.230 nan 0.000 0.436 1349 K N 0.235 120.578 120.400 -0.095 0.000 2.089 1349 K HA -0.311 4.009 4.320 0.000 0.000 0.210 1349 K C 1.941 178.520 176.600 -0.035 0.000 1.048 1349 K CA 2.396 58.644 56.287 -0.064 0.000 0.926 1349 K CB -0.329 32.150 32.500 -0.036 0.000 0.714 1349 K HN 0.557 nan 8.250 nan 0.000 0.448 1350 E N -0.262 119.934 120.200 -0.006 0.000 2.072 1350 E HA -0.161 4.189 4.350 0.000 0.000 0.191 1350 E C 1.835 178.488 176.600 0.089 0.000 0.985 1350 E CA 1.116 57.539 56.400 0.039 0.000 0.801 1350 E CB -0.298 29.444 29.700 0.071 0.000 0.750 1350 E HN 0.434 nan 8.360 nan 0.000 0.452 1351 A N 0.694 123.538 122.820 0.040 0.000 1.917 1351 A HA -0.179 4.141 4.320 0.000 0.000 0.219 1351 A C 2.137 179.747 177.584 0.042 0.000 1.182 1351 A CA 1.539 53.593 52.037 0.029 0.000 0.633 1351 A CB -0.657 18.311 19.000 -0.053 0.000 0.819 1351 A HN 0.341 nan 8.150 nan 0.000 0.448 1352 L N -0.910 120.308 121.223 -0.008 0.000 2.109 1352 L HA -0.081 4.259 4.340 0.000 0.000 0.207 1352 L C 2.479 179.394 176.870 0.076 0.000 1.086 1352 L CA 0.840 55.690 54.840 0.016 0.000 0.760 1352 L CB -0.327 41.703 42.059 -0.049 0.000 0.910 1352 L HN 0.208 nan 8.230 nan 0.000 0.437 1353 V N -1.032 118.894 119.914 0.019 0.000 2.343 1353 V HA -0.335 3.785 4.120 0.000 0.000 0.247 1353 V C 2.292 178.363 176.094 -0.039 0.000 1.051 1353 V CA 1.937 64.213 62.300 -0.039 0.000 1.036 1353 V CB -0.697 31.055 31.823 -0.119 0.000 0.654 1353 V HN 0.489 nan 8.190 nan 0.000 0.451 1354 H N -2.295 116.793 119.070 0.030 0.000 2.457 1354 H HA -0.139 4.418 4.556 0.000 0.000 0.294 1354 H C 2.003 177.363 175.328 0.054 0.000 1.064 1354 H CA 1.846 57.909 56.048 0.025 0.000 1.330 1354 H CB 0.011 29.777 29.762 0.006 0.000 1.395 1354 H HN 0.594 nan 8.280 nan 0.000 0.541 1355 Y N 0.186 120.541 120.300 0.092 0.000 2.130 1355 Y HA -0.180 4.370 4.550 0.000 0.000 0.287 1355 Y C 2.234 178.176 175.900 0.070 0.000 1.124 1355 Y CA 1.015 59.154 58.100 0.065 0.000 1.118 1355 Y CB -0.304 38.158 38.460 0.004 0.000 0.994 1355 Y HN 0.187 nan 8.280 nan 0.000 0.497 1356 L N 0.993 122.194 121.223 -0.036 0.000 2.187 1356 L HA -0.166 4.174 4.340 0.000 0.000 0.213 1356 L C 1.970 178.748 176.870 -0.154 0.000 1.100 1356 L CA 2.179 56.936 54.840 -0.139 0.000 0.765 1356 L CB -0.741 41.316 42.059 -0.004 0.000 0.904 1356 L HN 0.314 nan 8.230 nan 0.000 0.437 1357 E N -1.354 118.795 120.200 -0.084 0.000 2.158 1357 E HA -0.220 4.130 4.350 0.000 0.000 0.191 1357 E C 2.196 178.768 176.600 -0.045 0.000 0.982 1357 E CA 1.172 57.537 56.400 -0.058 0.000 0.823 1357 E CB -0.332 29.346 29.700 -0.038 0.000 0.766 1357 E HN 0.712 nan 8.360 nan 0.000 0.468 1358 H N -0.473 118.497 119.070 -0.167 0.000 2.436 1358 H HA -0.002 4.554 4.556 0.000 0.000 0.294 1358 H C 1.382 176.563 175.328 -0.244 0.000 1.048 1358 H CA 1.004 56.944 56.048 -0.181 0.000 1.353 1358 H CB 0.544 30.202 29.762 -0.173 0.000 1.414 1358 H HN 0.130 nan 8.280 nan 0.000 0.536 1359 Q N 1.130 120.641 119.800 -0.483 0.000 2.079 1359 Q HA -0.096 4.244 4.340 0.000 0.000 0.200 1359 Q C 2.234 178.073 176.000 -0.268 0.000 0.974 1359 Q CA 0.894 56.431 55.803 -0.444 0.000 0.840 1359 Q CB -0.110 28.363 28.738 -0.441 0.000 0.898 1359 Q HN 0.495 nan 8.270 nan 0.000 0.430 1360 K N 0.066 120.349 120.400 -0.195 0.000 2.032 1360 K HA -0.105 4.215 4.320 0.000 0.000 0.209 1360 K C 2.303 178.829 176.600 -0.123 0.000 1.048 1360 K CA 1.661 57.872 56.287 -0.126 0.000 0.927 1360 K CB -0.285 32.161 32.500 -0.090 0.000 0.712 1360 K HN 0.085 nan 8.250 nan 0.000 0.441 1361 T N 0.808 115.281 114.554 -0.135 0.000 2.720 1361 T HA -0.118 4.232 4.350 0.000 0.000 0.268 1361 T C 1.943 176.556 174.700 -0.144 0.000 1.037 1361 T CA 1.241 63.276 62.100 -0.109 0.000 1.144 1361 T CB -0.111 68.717 68.868 -0.067 0.000 0.864 1361 T HN -0.039 nan 8.240 nan 0.000 0.444 1362 V N 0.499 120.263 119.914 -0.251 0.000 2.323 1362 V HA -0.060 4.061 4.120 0.000 0.000 0.244 1362 V C 2.504 178.511 176.094 -0.145 0.000 1.041 1362 V CA 1.142 63.296 62.300 -0.244 0.000 1.025 1362 V CB -0.436 31.150 31.823 -0.396 0.000 0.656 1362 V HN 0.297 nan 8.190 nan 0.000 0.451 1363 V N 0.552 120.387 119.914 -0.132 0.000 2.515 1363 V HA -0.234 3.886 4.120 0.000 0.000 0.250 1363 V C 2.637 178.701 176.094 -0.050 0.000 1.058 1363 V CA 2.529 64.784 62.300 -0.075 0.000 1.064 1363 V CB -0.457 31.327 31.823 -0.065 0.000 0.675 1363 V HN 0.615 nan 8.190 nan 0.000 0.461 1364 R N -0.335 120.130 120.500 -0.058 0.000 2.062 1364 R HA -0.101 4.239 4.340 0.000 0.000 0.229 1364 R C 2.461 178.749 176.300 -0.019 0.000 1.128 1364 R CA 1.474 57.552 56.100 -0.036 0.000 0.960 1364 R CB -0.410 29.867 30.300 -0.039 0.000 0.855 1364 R HN 0.385 nan 8.270 nan 0.000 0.432 1365 R N 0.177 120.662 120.500 -0.025 0.000 2.091 1365 R HA -0.098 4.242 4.340 0.000 0.000 0.238 1365 R C 2.608 178.929 176.300 0.035 0.000 1.136 1365 R CA 1.634 57.736 56.100 0.004 0.000 0.959 1365 R CB -0.397 29.899 30.300 -0.007 0.000 0.856 1365 R HN 0.232 nan 8.270 nan 0.000 0.437 1366 R N 0.333 120.835 120.500 0.005 0.000 2.097 1366 R HA -0.164 4.176 4.340 0.000 0.000 0.236 1366 R C 1.925 178.275 176.300 0.084 0.000 1.135 1366 R CA 2.397 58.512 56.100 0.026 0.000 0.934 1366 R CB -0.606 29.690 30.300 -0.006 0.000 0.846 1366 R HN 0.229 nan 8.270 nan 0.000 0.431 1367 T N 1.758 116.333 114.554 0.036 0.000 2.699 1367 T HA -0.206 4.144 4.350 0.000 0.000 0.268 1367 T C 1.842 176.549 174.700 0.012 0.000 1.036 1367 T CA 1.875 63.983 62.100 0.013 0.000 1.147 1367 T CB -0.213 68.646 68.868 -0.015 0.000 0.862 1367 T HN 0.495 nan 8.240 nan 0.000 0.446 1368 Q N -0.352 119.467 119.800 0.032 0.000 2.119 1368 Q HA -0.127 4.213 4.340 0.000 0.000 0.201 1368 Q C 2.118 178.155 176.000 0.063 0.000 0.972 1368 Q CA 1.428 57.248 55.803 0.027 0.000 0.847 1368 Q CB -0.459 28.297 28.738 0.030 0.000 0.903 1368 Q HN 0.698 nan 8.270 nan 0.000 0.433 1369 Y N 2.483 122.773 120.300 -0.016 0.000 2.133 1369 Y HA -0.201 4.349 4.550 0.000 0.000 0.287 1369 Y C 2.021 177.918 175.900 -0.004 0.000 1.134 1369 Y CA 1.511 59.611 58.100 0.001 0.000 1.133 1369 Y CB -0.169 38.305 38.460 0.022 0.000 0.987 1369 Y HN 0.060 nan 8.280 nan 0.000 0.502 1370 N N 0.891 119.751 118.700 0.267 0.000 2.060 1370 N HA -0.234 4.506 4.740 0.000 0.000 0.195 1370 N C 1.848 177.291 175.510 -0.111 0.000 1.028 1370 N CA 1.726 54.845 53.050 0.115 0.000 0.861 1370 N CB -0.863 37.696 38.487 0.120 0.000 1.029 1370 N HN 0.415 nan 8.380 nan 0.000 0.428 1371 L N 2.224 123.359 121.223 -0.148 0.000 1.971 1371 L HA -0.193 4.147 4.340 0.000 0.000 0.215 1371 L C 2.569 179.354 176.870 -0.141 0.000 1.072 1371 L CA 1.847 56.580 54.840 -0.178 0.000 0.758 1371 L CB -0.916 41.063 42.059 -0.134 0.000 0.889 1371 L HN 0.226 nan 8.230 nan 0.000 0.433 1372 R N 0.052 120.471 120.500 -0.134 0.000 2.081 1372 R HA -0.248 4.093 4.340 0.000 0.000 0.235 1372 R C 2.364 178.556 176.300 -0.180 0.000 1.131 1372 R CA 2.042 58.058 56.100 -0.141 0.000 0.960 1372 R CB -0.675 29.553 30.300 -0.119 0.000 0.856 1372 R HN 0.517 nan 8.270 nan 0.000 0.436 1373 K N 0.379 120.604 120.400 -0.291 0.000 2.147 1373 K HA -0.059 4.261 4.320 0.000 0.000 0.205 1373 K C 2.002 178.547 176.600 -0.090 0.000 1.049 1373 K CA 1.321 57.450 56.287 -0.263 0.000 0.936 1373 K CB -0.157 32.075 32.500 -0.447 0.000 0.722 1373 K HN 0.310 nan 8.250 nan 0.000 0.446 1374 A N 1.550 124.337 122.820 -0.056 0.000 1.897 1374 A HA -0.105 4.215 4.320 0.000 0.000 0.215 1374 A C 1.886 179.474 177.584 0.007 0.000 1.181 1374 A CA 1.359 53.406 52.037 0.017 0.000 0.620 1374 A CB -0.328 18.674 19.000 0.003 0.000 0.821 1374 A HN 0.268 nan 8.150 nan 0.000 0.443 1375 K N -0.142 120.242 120.400 -0.026 0.000 2.026 1375 K HA -0.162 4.158 4.320 0.000 0.000 0.208 1375 K C 1.515 178.141 176.600 0.043 0.000 1.048 1375 K CA 1.557 57.844 56.287 0.001 0.000 0.929 1375 K CB -0.391 32.092 32.500 -0.028 0.000 0.713 1375 K HN 0.417 nan 8.250 nan 0.000 0.439 1376 D N 0.531 120.936 120.400 0.009 0.000 2.123 1376 D HA -0.170 4.470 4.640 0.000 0.000 0.196 1376 D C 1.978 178.333 176.300 0.092 0.000 0.992 1376 D CA 1.154 55.174 54.000 0.033 0.000 0.833 1376 D CB -0.165 40.624 40.800 -0.017 0.000 0.954 1376 D HN 0.060 nan 8.370 nan 0.000 0.455 1377 R N 0.967 121.507 120.500 0.068 0.000 2.115 1377 R HA 0.013 4.353 4.340 0.000 0.000 0.230 1377 R C 1.917 178.295 176.300 0.130 0.000 1.111 1377 R CA 1.511 57.662 56.100 0.085 0.000 0.976 1377 R CB -0.488 29.854 30.300 0.070 0.000 0.870 1377 R HN 0.093 nan 8.270 nan 0.000 0.445 1378 A N -0.850 122.062 122.820 0.153 0.000 1.929 1378 A HA -0.154 4.166 4.320 0.000 0.000 0.216 1378 A C 2.018 179.768 177.584 0.276 0.000 1.176 1378 A CA 1.621 53.807 52.037 0.249 0.000 0.628 1378 A CB -0.839 18.246 19.000 0.143 0.000 0.816 1378 A HN 0.631 nan 8.150 nan 0.000 0.444 1379 H N -0.418 118.723 119.070 0.119 0.000 2.456 1379 H HA -0.073 4.483 4.556 0.000 0.000 0.296 1379 H C 1.655 177.014 175.328 0.052 0.000 1.079 1379 H CA 1.739 57.835 56.048 0.079 0.000 1.322 1379 H CB 0.017 29.805 29.762 0.044 0.000 1.388 1379 H HN 0.346 nan 8.280 nan 0.000 0.538 1380 I N 0.163 120.773 120.570 0.067 0.000 2.193 1380 I HA -0.210 3.960 4.170 0.000 0.000 0.240 1380 I C 2.390 178.476 176.117 -0.052 0.000 1.084 1380 I CA 0.859 62.155 61.300 -0.008 0.000 1.365 1380 I CB -1.164 36.862 38.000 0.043 0.000 1.064 1380 I HN 0.362 nan 8.210 nan 0.000 0.410 1381 L N 0.338 121.568 121.223 0.012 0.000 2.081 1381 L HA -0.267 4.073 4.340 0.000 0.000 0.212 1381 L C 2.462 179.216 176.870 -0.193 0.000 1.080 1381 L CA 1.493 56.317 54.840 -0.026 0.000 0.754 1381 L CB -0.684 41.452 42.059 0.128 0.000 0.893 1381 L HN 0.281 nan 8.230 nan 0.000 0.433 1382 E N 0.015 120.086 120.200 -0.215 0.000 2.070 1382 E HA -0.218 4.132 4.350 0.000 0.000 0.197 1382 E C 2.132 178.593 176.600 -0.233 0.000 1.004 1382 E CA 1.534 57.755 56.400 -0.297 0.000 0.805 1382 E CB -0.288 29.295 29.700 -0.194 0.000 0.744 1382 E HN 0.535 nan 8.360 nan 0.000 0.451 1383 G N 0.012 108.681 108.800 -0.219 0.000 2.394 1383 G HA2 -0.193 3.767 3.960 0.000 0.000 0.215 1383 G HA3 -0.193 3.767 3.960 0.000 0.000 0.215 1383 G C 1.486 176.302 174.900 -0.140 0.000 1.165 1383 G CA 0.451 45.445 45.100 -0.177 0.000 0.784 1383 G HN 0.129 nan 8.290 nan 0.000 0.535 1384 L N -0.274 120.874 121.223 -0.125 0.000 2.056 1384 L HA 0.000 4.340 4.340 0.000 0.000 0.207 1384 L C 3.125 179.930 176.870 -0.108 0.000 1.078 1384 L CA 0.769 55.545 54.840 -0.106 0.000 0.749 1384 L CB -0.377 41.635 42.059 -0.078 0.000 0.901 1384 L HN 0.128 nan 8.230 nan 0.000 0.433 1385 R N 0.059 120.483 120.500 -0.127 0.000 2.113 1385 R HA -0.225 4.115 4.340 0.000 0.000 0.231 1385 R C 2.192 178.452 176.300 -0.068 0.000 1.129 1385 R CA 1.740 57.768 56.100 -0.120 0.000 0.915 1385 R CB -0.680 29.508 30.300 -0.187 0.000 0.837 1385 R HN 0.082 nan 8.270 nan 0.000 0.430 1386 I N 0.911 121.453 120.570 -0.046 0.000 2.121 1386 I HA -0.369 3.801 4.170 0.000 0.000 0.243 1386 I C 2.468 178.619 176.117 0.056 0.000 1.047 1386 I CA 1.956 63.295 61.300 0.066 0.000 1.308 1386 I CB -0.887 37.119 38.000 0.009 0.000 1.015 1386 I HN 0.306 nan 8.210 nan 0.000 0.410 1387 A N -0.225 122.525 122.820 -0.115 0.000 1.877 1387 A HA -0.165 4.155 4.320 0.000 0.000 0.216 1387 A C 2.368 179.877 177.584 -0.126 0.000 1.186 1387 A CA 1.707 53.614 52.037 -0.217 0.000 0.620 1387 A CB -0.892 17.984 19.000 -0.207 0.000 0.822 1387 A HN 0.429 nan 8.150 nan 0.000 0.443 1388 L N -0.689 120.481 121.223 -0.089 0.000 2.027 1388 L HA -0.192 4.148 4.340 0.000 0.000 0.206 1388 L C 2.102 178.920 176.870 -0.087 0.000 1.074 1388 L CA 1.907 56.700 54.840 -0.079 0.000 0.745 1388 L CB -0.994 41.021 42.059 -0.073 0.000 0.898 1388 L HN 0.411 nan 8.230 nan 0.000 0.433 1389 D N -0.960 119.370 120.400 -0.115 0.000 2.228 1389 D HA -0.192 4.448 4.640 0.000 0.000 0.203 1389 D C 0.852 176.913 176.300 -0.398 0.000 0.988 1389 D CA 1.233 55.070 54.000 -0.272 0.000 0.864 1389 D CB -0.058 40.515 40.800 -0.378 0.000 0.928 1389 D HN 0.504 nan 8.370 nan 0.000 0.469 1390 H N -1.210 117.843 119.070 -0.028 0.000 2.567 1390 H HA 0.223 4.779 4.556 0.000 0.000 0.267 1390 H C 1.026 176.341 175.328 -0.022 0.000 1.148 1390 H CA -0.500 55.563 56.048 0.026 0.000 1.031 1390 H CB 0.435 30.295 29.762 0.163 0.000 1.691 1390 H HN -0.087 nan 8.280 nan 0.000 0.588 1391 I N 1.768 122.344 120.570 0.010 0.000 2.147 1391 I HA -0.373 3.797 4.170 0.000 0.000 0.245 1391 I C 1.150 177.279 176.117 0.019 0.000 1.059 1391 I CA 1.621 62.908 61.300 -0.022 0.000 1.320 1391 I CB -0.581 37.398 38.000 -0.035 0.000 1.021 1391 I HN 0.407 nan 8.210 nan 0.000 0.415 1392 D N 0.032 120.459 120.400 0.045 0.000 2.177 1392 D HA -0.246 4.395 4.640 0.000 0.000 0.189 1392 D C 2.097 178.453 176.300 0.092 0.000 1.002 1392 D CA 1.820 55.854 54.000 0.058 0.000 0.845 1392 D CB -0.358 40.478 40.800 0.060 0.000 0.960 1392 D HN 0.429 nan 8.370 nan 0.000 0.447 1393 E N 0.175 120.473 120.200 0.163 0.000 2.085 1393 E HA -0.175 4.175 4.350 0.000 0.000 0.194 1393 E C 2.396 179.173 176.600 0.296 0.000 0.994 1393 E CA 0.659 57.215 56.400 0.260 0.000 0.801 1393 E CB -0.136 29.817 29.700 0.422 0.000 0.743 1393 E HN 0.389 nan 8.360 nan 0.000 0.453 1394 I N 1.692 122.338 120.570 0.127 0.000 2.076 1394 I HA -0.287 3.883 4.170 0.000 0.000 0.237 1394 I C 2.598 178.723 176.117 0.013 0.000 1.059 1394 I CA 1.095 62.346 61.300 -0.082 0.000 1.317 1394 I CB -0.982 36.839 38.000 -0.298 0.000 1.037 1394 I HN 0.101 nan 8.210 nan 0.000 0.398 1395 I N 0.275 120.848 120.570 0.005 0.000 2.185 1395 I HA -0.327 3.843 4.170 0.000 0.000 0.246 1395 I C 2.773 178.912 176.117 0.038 0.000 1.088 1395 I CA 1.503 62.811 61.300 0.013 0.000 1.347 1395 I CB -1.493 36.513 38.000 0.010 0.000 1.041 1395 I HN 0.222 nan 8.210 nan 0.000 0.415 1396 S N 0.325 116.062 115.700 0.063 0.000 2.351 1396 S HA -0.220 4.250 4.470 0.000 0.000 0.220 1396 S C 2.232 176.871 174.600 0.066 0.000 1.035 1396 S CA 2.567 60.805 58.200 0.063 0.000 1.031 1396 S CB -0.416 62.829 63.200 0.075 0.000 0.928 1396 S HN 0.692 nan 8.310 nan 0.000 0.433 1397 T N 1.539 116.155 114.554 0.103 0.000 2.746 1397 T HA -0.045 4.305 4.350 0.000 0.000 0.267 1397 T C 1.794 176.534 174.700 0.066 0.000 1.039 1397 T CA 1.338 63.494 62.100 0.094 0.000 1.142 1397 T CB -0.509 68.451 68.868 0.154 0.000 0.866 1397 T HN 0.352 nan 8.240 nan 0.000 0.444 1398 I N 0.549 121.156 120.570 0.061 0.000 2.208 1398 I HA -0.139 4.031 4.170 0.000 0.000 0.245 1398 I C 2.968 179.100 176.117 0.025 0.000 1.097 1398 I CA 1.575 62.895 61.300 0.034 0.000 1.363 1398 I CB -0.738 37.273 38.000 0.018 0.000 1.051 1398 I HN 0.293 nan 8.210 nan 0.000 0.413 1399 R N 1.135 121.650 120.500 0.025 0.000 2.092 1399 R HA -0.192 4.148 4.340 0.000 0.000 0.231 1399 R C 2.331 178.641 176.300 0.017 0.000 1.119 1399 R CA 1.554 57.664 56.100 0.018 0.000 0.970 1399 R CB -0.174 30.137 30.300 0.017 0.000 0.864 1399 R HN 0.552 nan 8.270 nan 0.000 0.440 1400 E N 0.156 120.368 120.200 0.020 0.000 2.208 1400 E HA -0.058 4.292 4.350 0.000 0.000 0.193 1400 E C -0.392 176.217 176.600 0.015 0.000 0.988 1400 E CA 0.754 57.164 56.400 0.017 0.000 0.828 1400 E CB -0.000 29.710 29.700 0.018 0.000 0.763 1400 E HN 0.160 nan 8.360 nan 0.000 0.478 1401 S N 1.319 117.030 115.700 0.019 0.000 2.510 1401 S HA 0.036 4.506 4.470 0.000 0.000 0.279 1401 S C 0.088 174.696 174.600 0.012 0.000 1.284 1401 S CA -0.161 58.049 58.200 0.017 0.000 1.059 1401 S CB 1.587 64.800 63.200 0.022 0.000 0.901 1401 S HN 0.160 nan 8.310 nan 0.000 0.491 1402 D N 2.219 122.625 120.400 0.010 0.000 2.144 1402 D HA -0.038 4.602 4.640 0.000 0.000 0.200 1402 D C 1.145 177.449 176.300 0.007 0.000 0.978 1402 D CA 1.531 55.536 54.000 0.007 0.000 0.833 1402 D CB 0.236 41.039 40.800 0.006 0.000 0.961 1402 D HN 0.775 nan 8.370 nan 0.000 0.470 1403 T N -3.436 111.122 114.554 0.007 0.000 2.887 1403 T HA 0.286 4.636 4.350 0.000 0.000 0.292 1403 T C 0.340 175.045 174.700 0.008 0.000 1.087 1403 T CA -0.835 61.269 62.100 0.006 0.000 1.009 1403 T CB 1.518 70.390 68.868 0.005 0.000 1.203 1403 T HN -0.315 nan 8.240 nan 0.000 0.518 1404 D N 0.006 120.410 120.400 0.007 0.000 2.218 1404 D HA -0.007 4.633 4.640 0.000 0.000 0.204 1404 D C 1.779 178.085 176.300 0.009 0.000 0.976 1404 D CA 1.071 55.076 54.000 0.007 0.000 0.853 1404 D CB 0.075 40.878 40.800 0.005 0.000 0.939 1404 D HN 0.590 nan 8.370 nan 0.000 0.481 1405 K N 0.041 120.446 120.400 0.009 0.000 2.001 1405 K HA -0.074 4.246 4.320 0.000 0.000 0.208 1405 K C 2.012 178.619 176.600 0.012 0.000 1.048 1405 K CA 0.629 56.922 56.287 0.010 0.000 0.932 1405 K CB -0.254 32.250 32.500 0.007 0.000 0.715 1405 K HN -0.046 nan 8.250 nan 0.000 0.437 1406 V N 1.107 121.028 119.914 0.012 0.000 2.343 1406 V HA -0.223 3.897 4.120 0.000 0.000 0.247 1406 V C 2.096 178.203 176.094 0.020 0.000 1.051 1406 V CA 2.065 64.373 62.300 0.014 0.000 1.036 1406 V CB -0.424 31.405 31.823 0.011 0.000 0.654 1406 V HN 0.445 nan 8.190 nan 0.000 0.451 1407 A N 0.066 122.898 122.820 0.021 0.000 1.870 1407 A HA -0.326 3.994 4.320 0.000 0.000 0.219 1407 A C 2.298 179.902 177.584 0.034 0.000 1.224 1407 A CA 2.768 54.822 52.037 0.028 0.000 0.650 1407 A CB -0.796 18.216 19.000 0.020 0.000 0.836 1407 A HN 0.524 nan 8.150 nan 0.000 0.454 1408 M N -0.577 119.038 119.600 0.025 0.000 2.539 1408 M HA -0.292 4.188 4.480 0.000 0.000 0.265 1408 M C 2.296 178.617 176.300 0.036 0.000 1.064 1408 M CA 2.742 58.059 55.300 0.028 0.000 1.077 1408 M CB -1.208 31.404 32.600 0.020 0.000 1.246 1408 M HN 0.786 nan 8.290 nan 0.000 0.470 1409 E N -0.832 119.385 120.200 0.028 0.000 2.160 1409 E HA -0.140 4.210 4.350 0.000 0.000 0.195 1409 E C 1.730 178.349 176.600 0.032 0.000 0.991 1409 E CA 2.061 58.477 56.400 0.026 0.000 0.810 1409 E CB -0.600 29.110 29.700 0.016 0.000 0.742 1409 E HN 0.284 nan 8.360 nan 0.000 0.466 1410 S N -0.174 115.548 115.700 0.036 0.000 2.442 1410 S HA 0.011 4.481 4.470 0.000 0.000 0.236 1410 S C 1.599 176.253 174.600 0.090 0.000 1.007 1410 S CA 0.907 59.133 58.200 0.043 0.000 0.965 1410 S CB -0.187 63.038 63.200 0.042 0.000 0.773 1410 S HN 0.276 nan 8.310 nan 0.000 0.504 1411 L N 0.238 121.533 121.223 0.119 0.000 2.249 1411 L HA 0.064 4.405 4.340 0.000 0.000 0.207 1411 L C 2.432 179.423 176.870 0.202 0.000 1.090 1411 L CA 0.739 55.714 54.840 0.225 0.000 0.802 1411 L CB -0.309 41.830 42.059 0.133 0.000 0.947 1411 L HN 0.198 nan 8.230 nan 0.000 0.453 1412 Q N -0.466 119.395 119.800 0.100 0.000 2.230 1412 Q HA -0.151 4.189 4.340 0.000 0.000 0.202 1412 Q C 2.194 178.216 176.000 0.037 0.000 0.963 1412 Q CA 1.024 56.870 55.803 0.071 0.000 0.866 1412 Q CB 0.103 28.869 28.738 0.047 0.000 0.931 1412 Q HN 0.513 nan 8.270 nan 0.000 0.452 1413 Q N -0.208 119.599 119.800 0.012 0.000 2.096 1413 Q HA -0.066 4.274 4.340 0.000 0.000 0.197 1413 Q C 1.929 177.871 176.000 -0.096 0.000 0.964 1413 Q CA 0.858 56.642 55.803 -0.032 0.000 0.838 1413 Q CB 0.131 28.849 28.738 -0.033 0.000 0.906 1413 Q HN 0.157 nan 8.270 nan 0.000 0.444 1414 R N -0.817 119.589 120.500 -0.156 0.000 2.127 1414 R HA 0.001 4.341 4.340 0.000 0.000 0.217 1414 R C 0.853 176.726 176.300 -0.712 0.000 1.074 1414 R CA 1.035 56.869 56.100 -0.444 0.000 0.991 1414 R CB 0.351 30.306 30.300 -0.574 0.000 0.895 1414 R HN 0.146 nan 8.270 nan 0.000 0.450 1415 F N -0.452 119.450 119.950 -0.081 0.000 2.746 1415 F HA 0.314 4.841 4.527 0.000 0.000 0.320 1415 F C 0.315 176.068 175.800 -0.079 0.000 1.097 1415 F CA -0.518 57.416 58.000 -0.111 0.000 1.195 1415 F CB 0.688 39.620 39.000 -0.114 0.000 1.056 1415 F HN -0.267 nan 8.300 nan 0.000 0.562 1416 K N 1.038 121.469 120.400 0.051 0.000 3.020 1416 K HA -0.214 4.106 4.320 0.000 0.000 0.266 1416 K C -0.103 176.530 176.600 0.055 0.000 1.067 1416 K CA 0.338 56.645 56.287 0.033 0.000 0.780 1416 K CB -2.025 30.478 32.500 0.005 0.000 1.220 1416 K HN 0.343 nan 8.250 nan 0.000 0.483 1417 L N 0.901 122.173 121.223 0.081 0.000 2.473 1417 L HA 0.045 4.385 4.340 0.000 0.000 0.268 1417 L C 1.400 178.307 176.870 0.062 0.000 1.215 1417 L CA 0.085 54.955 54.840 0.050 0.000 0.823 1417 L CB 0.554 42.635 42.059 0.037 0.000 1.099 1417 L HN 0.190 nan 8.230 nan 0.000 0.483 1418 S N 0.005 115.756 115.700 0.085 0.000 2.632 1418 S HA 0.105 4.575 4.470 0.000 0.000 0.267 1418 S C 0.938 175.600 174.600 0.103 0.000 1.276 1418 S CA -0.437 57.843 58.200 0.134 0.000 0.998 1418 S CB 1.182 64.560 63.200 0.297 0.000 0.953 1418 S HN 0.763 nan 8.310 nan 0.000 0.547 1419 E N 1.232 121.480 120.200 0.080 0.000 2.108 1419 E HA -0.270 4.080 4.350 0.000 0.000 0.203 1419 E C 1.847 178.484 176.600 0.062 0.000 1.022 1419 E CA 1.898 58.332 56.400 0.057 0.000 0.823 1419 E CB -0.183 29.540 29.700 0.038 0.000 0.744 1419 E HN 0.729 nan 8.360 nan 0.000 0.456 1420 K N -0.242 120.215 120.400 0.095 0.000 2.097 1420 K HA -0.174 4.146 4.320 0.000 0.000 0.206 1420 K C 2.322 178.968 176.600 0.076 0.000 1.049 1420 K CA 1.519 57.865 56.287 0.098 0.000 0.933 1420 K CB 0.004 32.594 32.500 0.149 0.000 0.717 1420 K HN 0.224 nan 8.250 nan 0.000 0.442 1421 Q N -0.263 119.577 119.800 0.067 0.000 2.096 1421 Q HA -0.039 4.301 4.340 0.000 0.000 0.197 1421 Q C 2.193 178.182 176.000 -0.020 0.000 0.964 1421 Q CA 1.088 56.878 55.803 -0.021 0.000 0.838 1421 Q CB -0.074 28.602 28.738 -0.102 0.000 0.906 1421 Q HN 0.286 nan 8.270 nan 0.000 0.444 1422 A N 1.082 123.906 122.820 0.006 0.000 1.883 1422 A HA -0.291 4.029 4.320 0.000 0.000 0.217 1422 A C 2.056 179.638 177.584 -0.003 0.000 1.186 1422 A CA 1.828 53.867 52.037 0.003 0.000 0.624 1422 A CB -0.539 18.477 19.000 0.027 0.000 0.822 1422 A HN 0.262 nan 8.150 nan 0.000 0.444 1423 Q N -0.685 119.120 119.800 0.009 0.000 2.079 1423 Q HA 0.017 4.357 4.340 0.000 0.000 0.200 1423 Q C 2.155 178.153 176.000 -0.003 0.000 0.974 1423 Q CA 1.763 57.569 55.803 0.006 0.000 0.840 1423 Q CB -0.479 28.267 28.738 0.013 0.000 0.898 1423 Q HN 0.610 nan 8.270 nan 0.000 0.430 1424 A N 0.072 122.890 122.820 -0.003 0.000 1.940 1424 A HA -0.186 4.134 4.320 0.000 0.000 0.219 1424 A C 2.022 179.589 177.584 -0.028 0.000 1.176 1424 A CA 1.387 53.417 52.037 -0.011 0.000 0.631 1424 A CB -0.689 18.305 19.000 -0.010 0.000 0.814 1424 A HN 0.461 nan 8.150 nan 0.000 0.446 1425 I N -0.635 119.909 120.570 -0.043 0.000 2.110 1425 I HA -0.251 3.919 4.170 0.000 0.000 0.236 1425 I C 2.389 178.476 176.117 -0.051 0.000 1.068 1425 I CA 1.212 62.473 61.300 -0.066 0.000 1.333 1425 I CB -0.361 37.578 38.000 -0.102 0.000 1.054 1425 I HN 0.288 nan 8.210 nan 0.000 0.402 1426 L N 0.342 121.543 121.223 -0.037 0.000 2.151 1426 L HA -0.318 4.022 4.340 0.000 0.000 0.215 1426 L C 1.548 178.407 176.870 -0.019 0.000 1.084 1426 L CA 1.372 56.198 54.840 -0.023 0.000 0.764 1426 L CB -0.519 41.533 42.059 -0.011 0.000 0.891 1426 L HN 0.366 nan 8.230 nan 0.000 0.435 1427 D N -1.041 119.349 120.400 -0.017 0.000 2.339 1427 D HA 0.053 4.693 4.640 0.000 0.000 0.217 1427 D C 0.928 177.219 176.300 -0.016 0.000 1.050 1427 D CA 0.118 54.110 54.000 -0.012 0.000 0.856 1427 D CB 0.224 41.020 40.800 -0.007 0.000 0.922 1427 D HN 0.245 nan 8.370 nan 0.000 0.518 1428 M N 1.070 120.656 119.600 -0.024 0.000 2.248 1428 M HA 0.088 4.568 4.480 0.000 0.000 0.337 1428 M C -0.314 175.973 176.300 -0.022 0.000 1.121 1428 M CA 0.241 55.525 55.300 -0.026 0.000 1.155 1428 M CB 0.682 33.259 32.600 -0.039 0.000 1.514 1428 M HN -0.289 nan 8.290 nan 0.000 0.452 1429 R N 3.583 124.072 120.500 -0.018 0.000 2.604 1429 R HA 0.363 4.703 4.340 0.000 0.000 0.287 1429 R C 0.798 177.087 176.300 -0.017 0.000 0.970 1429 R CA -0.779 55.312 56.100 -0.015 0.000 0.946 1429 R CB 0.831 31.125 30.300 -0.011 0.000 1.127 1429 R HN 0.804 nan 8.270 nan 0.000 0.473 1430 L N 1.895 123.109 121.223 -0.015 0.000 2.129 1430 L HA -0.247 4.093 4.340 0.000 0.000 0.212 1430 L C 2.367 179.228 176.870 -0.015 0.000 1.087 1430 L CA 1.615 56.446 54.840 -0.016 0.000 0.757 1430 L CB -0.554 41.498 42.059 -0.012 0.000 0.896 1430 L HN 0.636 nan 8.230 nan 0.000 0.434 1431 R N 0.116 120.608 120.500 -0.013 0.000 2.200 1431 R HA -0.185 4.155 4.340 0.000 0.000 0.234 1431 R C 2.105 178.397 176.300 -0.013 0.000 1.127 1431 R CA 1.079 57.172 56.100 -0.011 0.000 0.989 1431 R CB -0.507 29.788 30.300 -0.009 0.000 0.869 1431 R HN 0.129 nan 8.270 nan 0.000 0.459 1432 R N 0.388 120.878 120.500 -0.016 0.000 2.285 1432 R HA 0.052 4.392 4.340 0.000 0.000 0.213 1432 R C 1.085 177.371 176.300 -0.023 0.000 1.068 1432 R CA 0.517 56.605 56.100 -0.019 0.000 1.004 1432 R CB -0.093 30.194 30.300 -0.023 0.000 0.873 1432 R HN 0.174 nan 8.270 nan 0.000 0.467 1433 L N 0.287 121.496 121.223 -0.023 0.000 2.599 1433 L HA 0.047 4.387 4.340 0.000 0.000 0.230 1433 L C 0.781 177.638 176.870 -0.021 0.000 1.141 1433 L CA 0.760 55.585 54.840 -0.025 0.000 0.877 1433 L CB -0.814 41.230 42.059 -0.024 0.000 1.009 1433 L HN 0.153 nan 8.230 nan 0.000 0.447 1434 T N -4.317 110.226 114.554 -0.017 0.000 2.813 1434 T HA 0.323 4.673 4.350 0.000 0.000 0.297 1434 T C 1.687 176.378 174.700 -0.016 0.000 1.036 1434 T CA -0.124 61.967 62.100 -0.015 0.000 1.044 1434 T CB 0.986 69.847 68.868 -0.011 0.000 0.993 1434 T HN 0.211 nan 8.240 nan 0.000 0.535 1435 G N 0.606 109.398 108.800 -0.014 0.000 2.672 1435 G HA2 -0.188 3.772 3.960 0.000 0.000 0.218 1435 G HA3 -0.188 3.772 3.960 0.000 0.000 0.218 1435 G C 1.314 176.206 174.900 -0.014 0.000 1.238 1435 G CA 0.929 46.020 45.100 -0.014 0.000 0.791 1435 G HN 0.744 nan 8.290 nan 0.000 0.606 1436 L N 0.588 121.804 121.223 -0.011 0.000 2.622 1436 L HA 0.080 4.420 4.340 0.000 0.000 0.233 1436 L C 2.572 179.437 176.870 -0.009 0.000 1.156 1436 L CA 0.604 55.438 54.840 -0.009 0.000 0.866 1436 L CB -0.067 41.989 42.059 -0.007 0.000 0.980 1436 L HN 0.317 nan 8.230 nan 0.000 0.448 1437 E N 0.713 120.906 120.200 -0.011 0.000 2.076 1437 E HA -0.218 4.132 4.350 0.000 0.000 0.190 1437 E C 2.150 178.742 176.600 -0.014 0.000 0.979 1437 E CA 0.788 57.181 56.400 -0.012 0.000 0.807 1437 E CB 0.086 29.777 29.700 -0.014 0.000 0.761 1437 E HN 0.062 nan 8.360 nan 0.000 0.454 1438 R N 1.056 121.544 120.500 -0.020 0.000 2.103 1438 R HA -0.158 4.182 4.340 0.000 0.000 0.242 1438 R C 1.292 177.582 176.300 -0.017 0.000 1.142 1438 R CA 2.218 58.302 56.100 -0.026 0.000 0.960 1438 R CB -0.786 29.494 30.300 -0.033 0.000 0.858 1438 R HN 0.239 nan 8.270 nan 0.000 0.439 1439 D N 0.079 120.473 120.400 -0.011 0.000 2.144 1439 D HA -0.129 4.512 4.640 0.000 0.000 0.200 1439 D C 1.563 177.866 176.300 0.005 0.000 0.978 1439 D CA 0.814 54.812 54.000 -0.002 0.000 0.833 1439 D CB -0.221 40.577 40.800 -0.003 0.000 0.961 1439 D HN 0.095 nan 8.370 nan 0.000 0.470 1440 K N 0.779 121.181 120.400 0.003 0.000 2.113 1440 K HA -0.118 4.202 4.320 0.000 0.000 0.208 1440 K C 2.058 178.668 176.600 0.017 0.000 1.047 1440 K CA 0.692 56.984 56.287 0.008 0.000 0.928 1440 K CB -0.323 32.179 32.500 0.003 0.000 0.716 1440 K HN 0.257 nan 8.250 nan 0.000 0.446 1441 I N 0.121 120.698 120.570 0.011 0.000 2.193 1441 I HA -0.220 3.950 4.170 0.000 0.000 0.240 1441 I C 2.364 178.508 176.117 0.046 0.000 1.084 1441 I CA 0.945 62.256 61.300 0.018 0.000 1.365 1441 I CB -0.356 37.638 38.000 -0.011 0.000 1.064 1441 I HN 0.107 nan 8.210 nan 0.000 0.410 1442 E N 1.574 121.791 120.200 0.029 0.000 2.049 1442 E HA -0.236 4.114 4.350 0.000 0.000 0.198 1442 E C 2.158 178.819 176.600 0.101 0.000 1.007 1442 E CA 2.005 58.441 56.400 0.060 0.000 0.809 1442 E CB -0.340 29.378 29.700 0.029 0.000 0.749 1442 E HN 0.411 nan 8.360 nan 0.000 0.450 1443 A N 0.563 123.419 122.820 0.060 0.000 1.948 1443 A HA -0.287 4.033 4.320 0.000 0.000 0.220 1443 A C 2.225 179.843 177.584 0.057 0.000 1.177 1443 A CA 2.058 54.125 52.037 0.050 0.000 0.636 1443 A CB -0.723 18.293 19.000 0.027 0.000 0.815 1443 A HN 0.453 nan 8.150 nan 0.000 0.449 1444 E N -1.732 118.508 120.200 0.066 0.000 2.047 1444 E HA -0.235 4.115 4.350 0.000 0.000 0.191 1444 E C 1.879 178.542 176.600 0.105 0.000 0.987 1444 E CA 1.366 57.807 56.400 0.068 0.000 0.799 1444 E CB -0.344 29.393 29.700 0.062 0.000 0.752 1444 E HN 0.696 nan 8.360 nan 0.000 0.449 1445 Y N 1.792 122.098 120.300 0.010 0.000 2.165 1445 Y HA -0.235 4.315 4.550 0.000 0.000 0.286 1445 Y C 1.969 177.883 175.900 0.023 0.000 1.155 1445 Y CA 2.013 60.123 58.100 0.017 0.000 1.164 1445 Y CB -0.167 38.298 38.460 0.009 0.000 0.978 1445 Y HN 0.113 nan 8.280 nan 0.000 0.513 1446 N N 0.290 119.045 118.700 0.091 0.000 2.106 1446 N HA -0.183 4.557 4.740 0.000 0.000 0.188 1446 N C 1.884 177.372 175.510 -0.038 0.000 1.029 1446 N CA 1.537 54.592 53.050 0.008 0.000 0.848 1446 N CB -0.461 38.064 38.487 0.063 0.000 1.007 1446 N HN 0.539 nan 8.380 nan 0.000 0.423 1447 E N 0.577 120.770 120.200 -0.011 0.000 2.072 1447 E HA -0.136 4.214 4.350 0.000 0.000 0.191 1447 E C 1.933 178.528 176.600 -0.009 0.000 0.985 1447 E CA 0.444 56.836 56.400 -0.014 0.000 0.801 1447 E CB -0.021 29.668 29.700 -0.018 0.000 0.750 1447 E HN 0.069 nan 8.360 nan 0.000 0.452 1448 L N 1.222 122.433 121.223 -0.020 0.000 2.042 1448 L HA -0.215 4.125 4.340 0.000 0.000 0.210 1448 L C 2.184 179.028 176.870 -0.045 0.000 1.076 1448 L CA 1.407 56.252 54.840 0.008 0.000 0.749 1448 L CB -0.474 41.582 42.059 -0.005 0.000 0.893 1448 L HN 0.206 nan 8.230 nan 0.000 0.432 1449 L N -0.405 120.701 121.223 -0.195 0.000 2.079 1449 L HA -0.232 4.108 4.340 0.000 0.000 0.210 1449 L C 2.240 179.065 176.870 -0.075 0.000 1.081 1449 L CA 1.618 56.334 54.840 -0.208 0.000 0.752 1449 L CB -1.254 40.626 42.059 -0.298 0.000 0.896 1449 L HN 0.443 nan 8.230 nan 0.000 0.433 1450 N N -0.757 117.927 118.700 -0.026 0.000 2.188 1450 N HA -0.229 4.511 4.740 0.000 0.000 0.184 1450 N C 1.718 177.279 175.510 0.085 0.000 1.018 1450 N CA 0.926 53.988 53.050 0.021 0.000 0.858 1450 N CB -0.538 37.966 38.487 0.028 0.000 0.989 1450 N HN 0.270 nan 8.380 nan 0.000 0.426 1451 Y N 2.111 122.381 120.300 -0.050 0.000 2.145 1451 Y HA -0.055 4.495 4.550 0.000 0.000 0.286 1451 Y C 2.125 178.005 175.900 -0.033 0.000 1.145 1451 Y CA 0.982 59.062 58.100 -0.033 0.000 1.148 1451 Y CB -0.571 37.872 38.460 -0.028 0.000 0.981 1451 Y HN -0.043 nan 8.280 nan 0.000 0.507 1452 I N -1.179 119.348 120.570 -0.072 0.000 2.151 1452 I HA -0.385 3.785 4.170 0.000 0.000 0.243 1452 I C 2.648 178.696 176.117 -0.115 0.000 1.080 1452 I CA 1.698 62.908 61.300 -0.150 0.000 1.339 1452 I CB -1.156 36.786 38.000 -0.096 0.000 1.039 1452 I HN 0.189 nan 8.210 nan 0.000 0.409 1453 S N 0.970 116.634 115.700 -0.060 0.000 2.404 1453 S HA -0.266 4.204 4.470 0.000 0.000 0.230 1453 S C 1.821 176.396 174.600 -0.043 0.000 1.046 1453 S CA 2.346 60.522 58.200 -0.040 0.000 1.135 1453 S CB -0.356 62.835 63.200 -0.016 0.000 1.056 1453 S HN 0.589 nan 8.310 nan 0.000 0.426 1454 E N 0.600 120.788 120.200 -0.021 0.000 2.268 1454 E HA -0.084 4.266 4.350 0.000 0.000 0.195 1454 E C 2.134 178.703 176.600 -0.052 0.000 0.995 1454 E CA 0.745 57.138 56.400 -0.011 0.000 0.836 1454 E CB -0.338 29.387 29.700 0.042 0.000 0.763 1454 E HN 0.472 nan 8.360 nan 0.000 0.491 1455 L N 0.982 122.126 121.223 -0.131 0.000 2.072 1455 L HA -0.124 4.216 4.340 0.000 0.000 0.205 1455 L C 2.405 179.212 176.870 -0.105 0.000 1.079 1455 L CA 1.290 56.029 54.840 -0.169 0.000 0.752 1455 L CB -0.222 41.641 42.059 -0.327 0.000 0.906 1455 L HN 0.079 nan 8.230 nan 0.000 0.436 1456 E N -0.523 119.621 120.200 -0.093 0.000 2.110 1456 E HA -0.181 4.169 4.350 0.000 0.000 0.193 1456 E C 2.041 178.614 176.600 -0.045 0.000 0.988 1456 E CA 1.661 58.023 56.400 -0.063 0.000 0.804 1456 E CB -0.035 29.631 29.700 -0.056 0.000 0.745 1456 E HN 0.399 nan 8.360 nan 0.000 0.458 1457 T N 1.056 115.586 114.554 -0.040 0.000 2.737 1457 T HA -0.168 4.182 4.350 0.000 0.000 0.269 1457 T C 1.852 176.537 174.700 -0.024 0.000 1.040 1457 T CA 0.980 63.065 62.100 -0.026 0.000 1.142 1457 T CB -0.132 68.725 68.868 -0.017 0.000 0.861 1457 T HN 0.121 nan 8.240 nan 0.000 0.456 1458 I N 0.442 120.994 120.570 -0.030 0.000 2.162 1458 I HA -0.064 4.106 4.170 0.000 0.000 0.238 1458 I C 2.177 178.278 176.117 -0.027 0.000 1.076 1458 I CA 1.072 62.356 61.300 -0.025 0.000 1.353 1458 I CB -0.348 37.637 38.000 -0.025 0.000 1.063 1458 I HN 0.151 nan 8.210 nan 0.000 0.408 1459 L N 0.766 121.969 121.223 -0.034 0.000 2.187 1459 L HA -0.205 4.135 4.340 0.000 0.000 0.213 1459 L C 2.710 179.565 176.870 -0.026 0.000 1.100 1459 L CA 1.130 55.952 54.840 -0.030 0.000 0.765 1459 L CB -0.873 41.165 42.059 -0.035 0.000 0.904 1459 L HN 0.261 nan 8.230 nan 0.000 0.437 1460 A N -1.107 121.698 122.820 -0.025 0.000 2.070 1460 A HA -0.168 4.152 4.320 0.000 0.000 0.220 1460 A C 0.873 178.446 177.584 -0.018 0.000 1.159 1460 A CA 1.380 53.404 52.037 -0.021 0.000 0.656 1460 A CB -0.256 18.732 19.000 -0.020 0.000 0.800 1460 A HN 0.437 nan 8.150 nan 0.000 0.453 1461 D N -1.364 119.025 120.400 -0.018 0.000 2.763 1461 D HA 0.186 4.826 4.640 0.000 0.000 0.235 1461 D C 0.121 176.411 176.300 -0.017 0.000 1.334 1461 D CA -0.405 53.586 54.000 -0.016 0.000 0.950 1461 D CB 1.050 41.842 40.800 -0.013 0.000 1.433 1461 D HN 0.016 nan 8.370 nan 0.000 0.580 1462 E N 2.082 122.272 120.200 -0.017 0.000 2.204 1462 E HA -0.134 4.216 4.350 0.000 0.000 0.194 1462 E C 1.181 177.770 176.600 -0.019 0.000 0.989 1462 E CA 0.531 56.920 56.400 -0.019 0.000 0.824 1462 E CB 0.450 30.138 29.700 -0.020 0.000 0.756 1462 E HN 0.588 nan 8.360 nan 0.000 0.477 1463 E N 1.046 121.236 120.200 -0.016 0.000 2.047 1463 E HA -0.092 4.258 4.350 0.000 0.000 0.191 1463 E C 2.181 178.774 176.600 -0.013 0.000 0.987 1463 E CA 0.411 56.803 56.400 -0.014 0.000 0.799 1463 E CB -0.109 29.584 29.700 -0.011 0.000 0.752 1463 E HN 0.037 nan 8.360 nan 0.000 0.449 1464 V N 1.431 121.338 119.914 -0.012 0.000 2.392 1464 V HA -0.245 3.876 4.120 0.000 0.000 0.249 1464 V C 2.650 178.738 176.094 -0.011 0.000 1.059 1464 V CA 1.640 63.934 62.300 -0.009 0.000 1.051 1464 V CB -0.351 31.466 31.823 -0.008 0.000 0.658 1464 V HN 0.253 nan 8.190 nan 0.000 0.455 1465 L N -1.136 120.077 121.223 -0.016 0.000 2.156 1465 L HA -0.088 4.252 4.340 0.000 0.000 0.208 1465 L C 2.134 178.991 176.870 -0.023 0.000 1.095 1465 L CA 1.464 56.292 54.840 -0.020 0.000 0.770 1465 L CB -0.138 41.906 42.059 -0.025 0.000 0.914 1465 L HN 0.330 nan 8.230 nan 0.000 0.439 1466 L N -0.512 120.698 121.223 -0.022 0.000 2.131 1466 L HA -0.125 4.215 4.340 0.000 0.000 0.206 1466 L C 2.423 179.283 176.870 -0.016 0.000 1.087 1466 L CA 1.525 56.350 54.840 -0.024 0.000 0.767 1466 L CB -0.728 41.317 42.059 -0.023 0.000 0.917 1466 L HN 0.315 nan 8.230 nan 0.000 0.441 1467 Q N -0.708 119.085 119.800 -0.011 0.000 2.135 1467 Q HA -0.203 4.137 4.340 0.000 0.000 0.204 1467 Q C 2.083 178.081 176.000 -0.003 0.000 0.981 1467 Q CA 1.685 57.485 55.803 -0.005 0.000 0.856 1467 Q CB -0.615 28.121 28.738 -0.003 0.000 0.902 1467 Q HN 0.428 nan 8.270 nan 0.000 0.425 1468 L N -0.766 120.454 121.223 -0.005 0.000 1.989 1468 L HA -0.155 4.185 4.340 0.000 0.000 0.211 1468 L C 2.208 179.076 176.870 -0.003 0.000 1.071 1468 L CA 1.545 56.384 54.840 -0.002 0.000 0.749 1468 L CB -1.036 41.021 42.059 -0.004 0.000 0.890 1468 L HN 0.131 nan 8.230 nan 0.000 0.431 1469 V N -0.354 119.551 119.914 -0.015 0.000 2.392 1469 V HA -0.297 3.823 4.120 0.000 0.000 0.249 1469 V C 2.696 178.792 176.094 0.003 0.000 1.059 1469 V CA 1.833 64.121 62.300 -0.020 0.000 1.051 1469 V CB -0.607 31.188 31.823 -0.046 0.000 0.658 1469 V HN 0.455 nan 8.190 nan 0.000 0.455 1470 R N -0.438 120.065 120.500 0.005 0.000 2.073 1470 R HA -0.104 4.236 4.340 0.000 0.000 0.229 1470 R C 2.095 178.407 176.300 0.019 0.000 1.120 1470 R CA 1.490 57.599 56.100 0.015 0.000 0.967 1470 R CB -0.403 29.902 30.300 0.008 0.000 0.862 1470 R HN 0.522 nan 8.270 nan 0.000 0.436 1471 D N 0.891 121.299 120.400 0.014 0.000 2.078 1471 D HA -0.154 4.486 4.640 0.000 0.000 0.193 1471 D C 1.786 178.101 176.300 0.024 0.000 0.990 1471 D CA 1.307 55.316 54.000 0.016 0.000 0.827 1471 D CB -0.168 40.639 40.800 0.012 0.000 0.975 1471 D HN 0.279 nan 8.370 nan 0.000 0.451 1472 E N 0.332 120.549 120.200 0.028 0.000 2.085 1472 E HA -0.142 4.208 4.350 0.000 0.000 0.194 1472 E C 2.390 179.028 176.600 0.062 0.000 0.994 1472 E CA 0.494 56.918 56.400 0.041 0.000 0.801 1472 E CB -0.117 29.605 29.700 0.037 0.000 0.743 1472 E HN 0.240 nan 8.360 nan 0.000 0.453 1473 L N 0.448 121.711 121.223 0.066 0.000 2.141 1473 L HA -0.152 4.188 4.340 0.000 0.000 0.209 1473 L C 2.479 179.391 176.870 0.071 0.000 1.094 1473 L CA 0.936 55.832 54.840 0.093 0.000 0.763 1473 L CB -0.294 41.827 42.059 0.104 0.000 0.908 1473 L HN 0.178 nan 8.230 nan 0.000 0.437 1474 T N -1.150 113.431 114.554 0.045 0.000 2.777 1474 T HA -0.187 4.163 4.350 0.000 0.000 0.266 1474 T C 1.855 176.567 174.700 0.022 0.000 1.040 1474 T CA 1.085 63.202 62.100 0.028 0.000 1.141 1474 T CB -0.056 68.822 68.868 0.017 0.000 0.868 1474 T HN 0.280 nan 8.240 nan 0.000 0.444 1475 E N 0.890 121.103 120.200 0.023 0.000 2.072 1475 E HA -0.114 4.236 4.350 0.000 0.000 0.191 1475 E C 2.184 178.788 176.600 0.006 0.000 0.985 1475 E CA 0.821 57.223 56.400 0.004 0.000 0.801 1475 E CB -0.126 29.578 29.700 0.006 0.000 0.750 1475 E HN 0.299 nan 8.360 nan 0.000 0.452 1476 I N 1.630 122.243 120.570 0.072 0.000 2.163 1476 I HA -0.272 3.898 4.170 0.000 0.000 0.243 1476 I C 2.679 178.866 176.117 0.117 0.000 1.085 1476 I CA 1.080 62.477 61.300 0.160 0.000 1.347 1476 I CB -1.434 36.703 38.000 0.227 0.000 1.044 1476 I HN 0.179 nan 8.210 nan 0.000 0.408 1477 R N 1.077 121.619 120.500 0.070 0.000 2.094 1477 R HA -0.220 4.120 4.340 0.000 0.000 0.239 1477 R C 1.785 178.087 176.300 0.004 0.000 1.137 1477 R CA 2.192 58.315 56.100 0.037 0.000 0.943 1477 R CB -0.418 29.897 30.300 0.026 0.000 0.850 1477 R HN 0.360 nan 8.270 nan 0.000 0.433 1478 D N -0.312 120.073 120.400 -0.024 0.000 2.117 1478 D HA -0.175 4.465 4.640 0.000 0.000 0.197 1478 D C 1.987 178.221 176.300 -0.110 0.000 0.987 1478 D CA 1.167 55.136 54.000 -0.051 0.000 0.829 1478 D CB -0.271 40.500 40.800 -0.048 0.000 0.961 1478 D HN 0.310 nan 8.370 nan 0.000 0.460 1479 R N -0.890 119.484 120.500 -0.210 0.000 2.240 1479 R HA 0.006 4.346 4.340 0.000 0.000 0.203 1479 R C 0.896 176.824 176.300 -0.620 0.000 1.011 1479 R CA 0.686 56.523 56.100 -0.438 0.000 1.007 1479 R CB 0.081 30.031 30.300 -0.584 0.000 0.911 1479 R HN 0.087 nan 8.270 nan 0.000 0.468 1480 F N -0.885 119.039 119.950 -0.044 0.000 2.831 1480 F HA 0.392 4.919 4.527 0.000 0.000 0.334 1480 F C 1.150 176.948 175.800 -0.003 0.000 1.071 1480 F CA -0.195 57.776 58.000 -0.047 0.000 1.172 1480 F CB 0.062 38.975 39.000 -0.145 0.000 1.054 1480 F HN -0.039 nan 8.300 nan 0.000 0.572 1481 G N 1.641 110.512 108.800 0.119 0.000 2.414 1481 G HA2 0.337 4.297 3.960 0.000 0.000 0.236 1481 G HA3 0.337 4.297 3.960 0.000 0.000 0.236 1481 G C -0.693 174.272 174.900 0.109 0.000 1.293 1481 G CA 0.058 45.218 45.100 0.100 0.000 0.869 1481 G HN 0.235 nan 8.290 nan 0.000 0.556 1482 D N 0.440 120.917 120.400 0.129 0.000 2.552 1482 D HA 0.350 4.990 4.640 0.000 0.000 0.239 1482 D C -0.795 175.535 176.300 0.050 0.000 1.139 1482 D CA -0.998 53.050 54.000 0.080 0.000 0.914 1482 D CB 0.712 41.554 40.800 0.071 0.000 1.461 1482 D HN 0.187 nan 8.370 nan 0.000 0.462 1483 D N -0.026 120.387 120.400 0.022 0.000 2.449 1483 D HA 0.077 4.717 4.640 0.000 0.000 0.236 1483 D C 0.528 176.827 176.300 -0.000 0.000 1.149 1483 D CA 0.172 54.178 54.000 0.009 0.000 0.878 1483 D CB 0.557 41.359 40.800 0.002 0.000 1.198 1483 D HN 0.361 nan 8.370 nan 0.000 0.446 1484 R N 1.937 122.434 120.500 -0.005 0.000 2.643 1484 R HA 0.134 4.474 4.340 0.000 0.000 0.270 1484 R C 0.477 176.759 176.300 -0.029 0.000 1.061 1484 R CA 0.074 56.160 56.100 -0.023 0.000 1.107 1484 R CB 0.617 30.903 30.300 -0.023 0.000 0.999 1484 R HN 0.433 nan 8.270 nan 0.000 0.460 1485 R N 1.154 121.627 120.500 -0.045 0.000 2.287 1485 R HA 0.118 4.458 4.340 0.000 0.000 0.197 1485 R C -0.076 176.218 176.300 -0.011 0.000 0.900 1485 R CA 0.270 56.354 56.100 -0.028 0.000 1.052 1485 R CB 0.808 31.087 30.300 -0.035 0.000 1.117 1485 R HN 0.523 nan 8.270 nan 0.000 0.568 1486 T N 1.347 115.883 114.554 -0.030 0.000 2.771 1486 T HA 0.148 4.498 4.350 0.000 0.000 0.281 1486 T C -0.822 173.869 174.700 -0.014 0.000 0.982 1486 T CA -0.371 61.729 62.100 -0.001 0.000 0.978 1486 T CB 2.009 70.877 68.868 -0.000 0.000 0.930 1486 T HN 0.031 nan 8.240 nan 0.000 0.447 1487 E N 3.576 123.781 120.200 0.007 0.000 2.194 1487 E HA 0.266 4.616 4.350 0.000 0.000 0.284 1487 E C -0.563 176.035 176.600 -0.004 0.000 1.035 1487 E CA -0.435 55.964 56.400 -0.002 0.000 0.836 1487 E CB 0.525 30.227 29.700 0.004 0.000 1.070 1487 E HN 0.549 nan 8.360 nan 0.000 0.401 1488 I N 6.120 126.680 120.570 -0.016 0.000 2.287 1488 I HA 0.052 4.222 4.170 0.000 0.000 0.290 1488 I C 0.581 176.689 176.117 -0.015 0.000 1.069 1488 I CA -0.384 60.905 61.300 -0.019 0.000 1.237 1488 I CB 0.525 38.508 38.000 -0.030 0.000 1.418 1488 I HN 0.405 nan 8.210 nan 0.000 0.481 1489 Q N 6.674 126.466 119.800 -0.015 0.000 2.249 1489 Q HA 0.790 5.130 4.340 0.000 0.000 0.226 1489 Q C -0.680 175.310 176.000 -0.016 0.000 0.983 1489 Q CA -0.799 54.995 55.803 -0.014 0.000 0.930 1489 Q CB 1.493 30.222 28.738 -0.014 0.000 1.193 1489 Q HN 0.505 nan 8.270 nan 0.000 0.508 1490 L N -2.054 119.161 121.223 -0.013 0.000 2.205 1490 L HA 0.931 5.271 4.340 0.000 0.000 0.242 1490 L C 0.037 176.901 176.870 -0.010 0.000 1.115 1490 L CA -1.001 53.832 54.840 -0.012 0.000 0.987 1490 L CB 1.174 43.228 42.059 -0.009 0.000 1.568 1490 L HN 0.788 nan 8.230 nan 0.000 0.450 1491 G N 0.000 108.795 108.800 -0.008 0.000 5.446 1491 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 1491 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1491 G CA 0.000 45.096 45.100 -0.006 0.000 0.502 1491 G HN 0.000 nan 8.290 nan 0.000 0.925