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 3edl_1_F DATA FIRST_RESID 2 DATA SEQUENCE RECISIHVGQ AGVQIGNACW ELYCLEHGIQ PDGQMXXXXX XXXXXDSFNT DATA SEQUENCE FFSETGAGKH VPRAVFVDLE PTVIDEVRTG TYRQLFHPEQ LITGKEDAAN DATA SEQUENCE NYARGHYTIG KEIIDLVLDR IRKLADQCTG LQGFSVFHSF GGGTGSGFTS DATA SEQUENCE LLMERLSVDY GKKSKLEFSI YPAPQVSTAV VEPYNSILTT HTTLEHSDCA DATA SEQUENCE FMVDNEAIYD ICRRNLDIER PTYTNLNRLI GQIVSSITAS LRFDGALNVD DATA SEQUENCE LTEFQTNLVP YPRIHFPLAT YAPVISAEXX XXXQLSVAEI TNACFEPANQ DATA SEQUENCE MVKCDPRHGK YMACCLLYRG DVVPKDVNAA IATIKTKRTI QFVDWCPTGF DATA SEQUENCE KVGINYEPPT VVPGGDLAKV QRAVCMLSNT TAIAEAWARL DHKFDLMYAK DATA SEQUENCE RAFVHWYVGE GMEEGEFSEA REDMAALEKD YEEVGV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.240 176.300 -0.099 0.000 0.893 2 R CA 0.000 56.060 56.100 -0.066 0.000 0.921 2 R CB 0.000 30.265 30.300 -0.058 0.000 0.687 3 E N -0.119 119.997 120.200 -0.139 0.000 2.790 3 E HA 0.456 4.806 4.350 -0.000 0.000 0.256 3 E C -0.766 175.658 176.600 -0.293 0.000 1.246 3 E CA -0.217 56.070 56.400 -0.189 0.000 1.041 3 E CB 1.197 30.796 29.700 -0.168 0.000 1.272 3 E HN 0.303 nan 8.360 nan 0.000 0.603 4 C N 1.009 120.076 119.300 -0.388 0.000 3.087 4 C HA 0.292 4.752 4.460 -0.000 0.000 0.386 4 C C -1.291 173.395 174.990 -0.506 0.000 1.013 4 C CA -0.495 58.199 59.018 -0.540 0.000 1.287 4 C CB -0.983 26.258 27.740 -0.831 0.000 1.615 4 C HN 0.546 nan 8.230 nan 0.000 0.536 5 I N 3.549 123.929 120.570 -0.317 0.000 2.496 5 I HA 0.277 4.447 4.170 -0.000 0.000 0.285 5 I C 0.769 176.974 176.117 0.148 0.000 1.080 5 I CA 0.914 62.189 61.300 -0.043 0.000 1.404 5 I CB 1.334 39.411 38.000 0.128 0.000 1.403 5 I HN 0.531 nan 8.210 nan 0.000 0.539 6 S N 6.763 122.641 115.700 0.296 0.000 2.462 6 S HA 0.630 5.100 4.470 -0.000 0.000 0.294 6 S C -0.308 174.539 174.600 0.412 0.000 1.144 6 S CA -0.482 58.004 58.200 0.477 0.000 1.088 6 S CB 0.699 64.446 63.200 0.911 0.000 1.009 6 S HN 0.307 nan 8.310 nan 0.000 0.484 7 I N 3.383 124.109 120.570 0.260 0.000 2.498 7 I HA 0.351 4.521 4.170 -0.000 0.000 0.290 7 I C -1.175 174.991 176.117 0.081 0.000 1.032 7 I CA -0.687 60.750 61.300 0.229 0.000 1.073 7 I CB 1.675 39.751 38.000 0.126 0.000 1.251 7 I HN 0.624 nan 8.210 nan 0.000 0.426 8 H N 4.627 123.873 119.070 0.292 0.000 2.708 8 H HA 0.449 5.005 4.556 -0.000 0.000 0.320 8 H C -0.709 174.655 175.328 0.061 0.000 0.991 8 H CA -0.531 55.580 56.048 0.104 0.000 1.243 8 H CB 1.990 31.517 29.762 -0.391 0.000 1.446 8 H HN 0.269 nan 8.280 nan 0.000 0.502 9 V N 3.446 123.490 119.914 0.217 0.000 2.417 9 V HA 0.801 4.921 4.120 -0.000 0.000 0.291 9 V C 0.315 176.496 176.094 0.144 0.000 1.024 9 V CA 0.409 62.822 62.300 0.188 0.000 0.861 9 V CB 0.654 32.651 31.823 0.290 0.000 0.985 9 V HN 1.095 nan 8.190 nan 0.000 0.436 10 G N 4.720 113.556 108.800 0.061 0.000 2.892 10 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.686 10 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.686 10 G C 0.217 175.116 174.900 -0.001 0.000 1.244 10 G CA 0.954 46.074 45.100 0.032 0.000 0.947 10 G HN 1.812 nan 8.290 nan 0.000 0.584 11 Q N 1.570 121.348 119.800 -0.037 0.000 2.440 11 Q HA -0.373 3.967 4.340 -0.000 0.000 0.228 11 Q C 2.861 178.785 176.000 -0.126 0.000 1.100 11 Q CA 4.724 60.476 55.803 -0.084 0.000 0.991 11 Q CB -0.800 27.888 28.738 -0.084 0.000 1.027 11 Q HN 2.190 nan 8.270 nan 0.000 0.528 12 A N -0.158 122.592 122.820 -0.116 0.000 1.859 12 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 12 A C 2.322 179.869 177.584 -0.061 0.000 1.198 12 A CA 2.459 54.419 52.037 -0.129 0.000 0.629 12 A CB -1.805 17.152 19.000 -0.072 0.000 0.830 12 A HN 0.777 nan 8.150 nan 0.000 0.446 13 G N -0.490 108.325 108.800 0.024 0.000 2.553 13 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 13 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 13 G C 1.559 176.429 174.900 -0.049 0.000 1.195 13 G CA 1.842 47.004 45.100 0.102 0.000 0.779 13 G HN 0.396 nan 8.290 nan 0.000 0.577 14 V N 0.466 120.272 119.914 -0.180 0.000 2.219 14 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 14 V C 2.842 178.695 176.094 -0.402 0.000 1.053 14 V CA 2.584 64.605 62.300 -0.464 0.000 1.009 14 V CB -0.898 30.742 31.823 -0.305 0.000 0.636 14 V HN 0.439 nan 8.190 nan 0.000 0.445 15 Q N -1.093 118.569 119.800 -0.231 0.000 2.181 15 Q HA -0.211 4.129 4.340 -0.000 0.000 0.205 15 Q C 2.130 178.029 176.000 -0.169 0.000 0.980 15 Q CA 1.875 57.574 55.803 -0.174 0.000 0.862 15 Q CB -0.259 28.378 28.738 -0.169 0.000 0.905 15 Q HN 0.620 nan 8.270 nan 0.000 0.429 16 I N -0.503 119.962 120.570 -0.175 0.000 2.142 16 I HA -0.209 3.961 4.170 -0.000 0.000 0.240 16 I C 2.149 178.090 176.117 -0.293 0.000 1.078 16 I CA 1.577 62.775 61.300 -0.170 0.000 1.343 16 I CB -0.470 37.481 38.000 -0.082 0.000 1.046 16 I HN 0.265 nan 8.210 nan 0.000 0.405 17 G N -0.320 108.236 108.800 -0.407 0.000 2.432 17 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.219 17 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.219 17 G C 1.529 176.311 174.900 -0.196 0.000 1.135 17 G CA 0.798 45.562 45.100 -0.559 0.000 0.767 17 G HN 0.306 nan 8.290 nan 0.000 0.550 18 N N 1.199 119.807 118.700 -0.154 0.000 2.149 18 N HA -0.064 4.676 4.740 -0.000 0.000 0.188 18 N C 2.269 177.789 175.510 0.017 0.000 1.019 18 N CA 1.433 54.516 53.050 0.055 0.000 0.857 18 N CB -0.272 38.230 38.487 0.024 0.000 0.997 18 N HN 0.281 nan 8.380 nan 0.000 0.426 19 A N -0.671 122.103 122.820 -0.077 0.000 2.030 19 A HA 0.010 4.330 4.320 -0.000 0.000 0.215 19 A C 2.304 179.779 177.584 -0.181 0.000 1.164 19 A CA 0.937 52.925 52.037 -0.082 0.000 0.697 19 A CB -0.448 18.508 19.000 -0.073 0.000 0.827 19 A HN 0.587 nan 8.150 nan 0.000 0.457 20 C N -4.597 114.499 119.300 -0.340 0.000 2.799 20 C HA 0.254 4.714 4.460 -0.000 0.000 0.267 20 C C 1.910 176.338 174.990 -0.937 0.000 1.257 20 C CA -0.759 57.885 59.018 -0.623 0.000 1.702 20 C CB -2.230 25.058 27.740 -0.753 0.000 1.934 20 C HN 0.695 nan 8.230 nan 0.000 0.594 21 W N 2.418 123.421 121.300 -0.494 0.000 2.658 21 W HA 0.080 4.740 4.660 -0.000 0.000 0.263 21 W C 2.598 179.003 176.519 -0.190 0.000 1.274 21 W CA 1.083 58.251 57.345 -0.294 0.000 1.343 21 W CB 0.095 29.513 29.460 -0.070 0.000 1.106 21 W HN 0.524 nan 8.180 nan 0.000 0.615 22 E N 0.204 120.365 120.200 -0.065 0.000 2.170 22 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 22 E C 1.933 178.547 176.600 0.025 0.000 0.981 22 E CA 0.873 57.211 56.400 -0.104 0.000 0.830 22 E CB -0.506 29.188 29.700 -0.009 0.000 0.775 22 E HN 0.259 nan 8.360 nan 0.000 0.470 23 L N 0.033 121.230 121.223 -0.044 0.000 2.179 23 L HA -0.010 4.330 4.340 -0.000 0.000 0.208 23 L C 1.986 178.934 176.870 0.129 0.000 1.096 23 L CA 1.129 55.972 54.840 0.004 0.000 0.779 23 L CB -0.263 41.748 42.059 -0.079 0.000 0.922 23 L HN 0.228 nan 8.230 nan 0.000 0.443 24 Y N -1.934 118.375 120.300 0.014 0.000 2.089 24 Y HA -0.362 4.188 4.550 -0.000 0.000 0.282 24 Y C 2.757 178.790 175.900 0.222 0.000 1.139 24 Y CA 0.990 59.148 58.100 0.097 0.000 1.123 24 Y CB -0.578 37.925 38.460 0.072 0.000 0.980 24 Y HN 0.244 nan 8.280 nan 0.000 0.493 25 C N -0.132 119.415 119.300 0.413 0.000 2.398 25 C HA -0.234 4.226 4.460 -0.000 0.000 0.276 25 C C 2.659 177.759 174.990 0.184 0.000 1.222 25 C CA 0.809 59.989 59.018 0.269 0.000 1.746 25 C CB -1.307 26.562 27.740 0.215 0.000 2.039 25 C HN 0.463 nan 8.230 nan 0.000 0.470 26 L N 0.466 121.788 121.223 0.165 0.000 2.083 26 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 26 L C 2.376 179.299 176.870 0.088 0.000 1.083 26 L CA 1.703 56.616 54.840 0.121 0.000 0.752 26 L CB -0.927 41.197 42.059 0.109 0.000 0.899 26 L HN 0.395 nan 8.230 nan 0.000 0.433 27 E N -1.463 118.786 120.200 0.082 0.000 2.077 27 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 27 E C 1.574 178.116 176.600 -0.096 0.000 0.989 27 E CA 1.029 57.429 56.400 -0.000 0.000 0.800 27 E CB 0.063 29.759 29.700 -0.007 0.000 0.746 27 E HN 0.554 nan 8.360 nan 0.000 0.452 28 H N -1.273 117.840 119.070 0.072 0.000 2.551 28 H HA 0.196 4.752 4.556 -0.000 0.000 0.271 28 H C 0.445 175.749 175.328 -0.040 0.000 0.984 28 H CA 0.645 56.679 56.048 -0.025 0.000 1.164 28 H CB 0.708 30.346 29.762 -0.207 0.000 1.437 28 H HN 0.229 nan 8.280 nan 0.000 0.550 29 G N 1.985 110.839 108.800 0.090 0.000 2.354 29 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.278 29 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.278 29 G C -0.287 174.647 174.900 0.057 0.000 0.953 29 G CA -0.006 45.137 45.100 0.072 0.000 1.346 29 G HN 0.358 nan 8.290 nan 0.000 0.467 30 I N 1.079 121.689 120.570 0.067 0.000 2.437 30 I HA 0.545 4.715 4.170 -0.000 0.000 0.279 30 I C 0.753 176.945 176.117 0.125 0.000 1.028 30 I CA -0.228 61.113 61.300 0.068 0.000 1.142 30 I CB 1.409 39.398 38.000 -0.017 0.000 1.266 30 I HN 0.641 nan 8.210 nan 0.000 0.461 31 Q N 8.636 128.504 119.800 0.113 0.000 2.239 31 Q HA 0.132 4.472 4.340 -0.000 0.000 0.286 31 Q C -1.906 174.188 176.000 0.157 0.000 1.102 31 Q CA -0.974 54.902 55.803 0.121 0.000 0.936 31 Q CB -0.918 27.869 28.738 0.081 0.000 1.127 31 Q HN 0.480 nan 8.270 nan 0.000 0.380 32 P HA -0.410 nan 4.420 nan 0.000 0.224 32 P C 1.296 178.722 177.300 0.210 0.000 1.130 32 P CA 2.779 66.074 63.100 0.325 0.000 0.976 32 P CB -0.523 31.307 31.700 0.218 0.000 0.781 33 D N -1.134 119.338 120.400 0.119 0.000 2.370 33 D HA -0.230 4.410 4.640 -0.000 0.000 0.190 33 D C 1.851 178.193 176.300 0.069 0.000 1.019 33 D CA 3.207 57.250 54.000 0.071 0.000 0.869 33 D CB -1.219 39.604 40.800 0.039 0.000 0.944 33 D HN 0.512 nan 8.370 nan 0.000 0.456 34 G N -3.169 105.673 108.800 0.070 0.000 4.103 34 G HA2 0.519 4.479 3.960 -0.000 0.000 0.123 34 G HA3 0.519 4.479 3.960 -0.000 0.000 0.123 34 G C 0.723 175.653 174.900 0.050 0.000 1.189 34 G CA 1.410 46.538 45.100 0.048 0.000 1.111 34 G HN 1.225 nan 8.290 nan 0.000 0.399 35 Q N 0.133 119.935 119.800 0.004 0.000 2.252 35 Q HA 0.890 5.230 4.340 -0.000 0.000 0.256 35 Q C 0.115 176.179 176.000 0.106 0.000 1.020 35 Q CA -0.244 55.573 55.803 0.023 0.000 0.913 35 Q CB 0.668 29.298 28.738 -0.181 0.000 1.286 35 Q HN 0.797 nan 8.270 nan 0.000 0.480 48 S N -1.489 114.199 115.700 -0.019 0.000 3.140 48 S HA -0.100 4.370 4.470 -0.000 0.000 0.283 48 S C 2.687 177.215 174.600 -0.121 0.000 1.462 48 S CA 4.239 62.422 58.200 -0.028 0.000 3.164 48 S CB -2.616 60.597 63.200 0.021 0.000 1.477 48 S HN 2.342 nan 8.310 nan 0.000 0.493 49 F N 1.634 121.464 119.950 -0.201 0.000 2.604 49 F HA 0.296 4.823 4.527 -0.000 0.000 0.298 49 F C 2.100 177.795 175.800 -0.175 0.000 1.131 49 F CA 1.717 59.469 58.000 -0.413 0.000 1.457 49 F CB -1.307 37.387 39.000 -0.510 0.000 1.095 49 F HN 0.712 nan 8.300 nan 0.000 0.574 50 N N -0.247 118.407 118.700 -0.077 0.000 2.459 50 N HA -0.100 4.640 4.740 -0.000 0.000 0.181 50 N C 1.763 177.289 175.510 0.028 0.000 1.046 50 N CA 1.236 54.289 53.050 0.006 0.000 0.904 50 N CB -0.236 38.246 38.487 -0.009 0.000 0.964 50 N HN 0.481 nan 8.380 nan 0.000 0.444 51 T N -0.622 113.948 114.554 0.026 0.000 2.803 51 T HA -0.129 4.221 4.350 -0.000 0.000 0.269 51 T C 1.008 175.662 174.700 -0.077 0.000 1.052 51 T CA 1.177 63.280 62.100 0.005 0.000 1.136 51 T CB -0.187 68.746 68.868 0.108 0.000 0.864 51 T HN 0.226 nan 8.240 nan 0.000 0.467 52 F N -0.853 119.048 119.950 -0.083 0.000 2.727 52 F HA 0.445 4.972 4.527 -0.000 0.000 0.302 52 F C 0.126 175.816 175.800 -0.183 0.000 1.107 52 F CA -0.973 56.954 58.000 -0.122 0.000 1.277 52 F CB 0.566 39.385 39.000 -0.301 0.000 1.079 52 F HN 0.016 nan 8.300 nan 0.000 0.594 53 F N -0.506 119.500 119.950 0.093 0.000 2.561 53 F HA 0.481 5.008 4.527 -0.000 0.000 0.321 53 F C 0.206 176.004 175.800 -0.003 0.000 1.065 53 F CA -1.542 56.481 58.000 0.039 0.000 0.934 53 F CB 1.508 40.508 39.000 0.000 0.000 1.215 53 F HN -0.364 nan 8.300 nan 0.000 0.471 54 S N -0.468 115.339 115.700 0.179 0.000 2.594 54 S HA 0.520 4.989 4.470 -0.000 0.000 0.322 54 S C -0.233 174.456 174.600 0.149 0.000 1.085 54 S CA -0.739 57.526 58.200 0.109 0.000 1.116 54 S CB 0.813 64.034 63.200 0.036 0.000 0.979 54 S HN 0.780 nan 8.310 nan 0.000 0.465 55 E N 2.064 122.361 120.200 0.162 0.000 2.030 55 E HA 0.389 4.739 4.350 -0.000 0.000 0.267 55 E C 0.545 177.192 176.600 0.079 0.000 1.172 55 E CA 0.485 56.993 56.400 0.179 0.000 1.080 55 E CB -1.651 28.152 29.700 0.173 0.000 1.080 55 E HN 1.044 nan 8.360 nan 0.000 0.446 56 T N 0.461 115.057 114.554 0.070 0.000 2.889 56 T HA 0.664 5.014 4.350 -0.000 0.000 0.291 56 T C 1.158 175.864 174.700 0.010 0.000 0.995 56 T CA 0.442 62.573 62.100 0.051 0.000 1.092 56 T CB 0.588 69.516 68.868 0.100 0.000 0.954 56 T HN 1.793 nan 8.240 nan 0.000 0.506 57 G N 0.349 109.158 108.800 0.015 0.000 2.804 57 G HA2 0.328 4.288 3.960 -0.000 0.000 0.230 57 G HA3 0.328 4.288 3.960 -0.000 0.000 0.230 57 G C 0.571 175.454 174.900 -0.028 0.000 1.386 57 G CA -0.054 45.042 45.100 -0.006 0.000 0.875 57 G HN 1.989 nan 8.290 nan 0.000 0.557 58 A N 0.199 122.999 122.820 -0.033 0.000 2.988 58 A HA 0.727 5.047 4.320 -0.000 0.000 0.288 58 A C 1.423 178.968 177.584 -0.066 0.000 1.385 58 A CA 1.167 53.180 52.037 -0.041 0.000 1.001 58 A CB -0.761 18.225 19.000 -0.024 0.000 1.071 58 A HN 2.414 nan 8.150 nan 0.000 0.608 59 G N -0.744 107.992 108.800 -0.107 0.000 3.962 59 G HA2 0.152 4.112 3.960 -0.000 0.000 0.147 59 G HA3 0.152 4.112 3.960 -0.000 0.000 0.147 59 G C 0.338 175.082 174.900 -0.259 0.000 1.294 59 G CA -0.182 44.831 45.100 -0.144 0.000 1.011 59 G HN 0.343 nan 8.290 nan 0.000 0.432 60 K N 0.037 120.328 120.400 -0.181 0.000 2.508 60 K HA 0.091 4.411 4.320 -0.000 0.000 0.273 60 K C 0.585 177.040 176.600 -0.242 0.000 0.964 60 K CA 0.290 56.481 56.287 -0.159 0.000 0.948 60 K CB 0.210 32.672 32.500 -0.062 0.000 0.917 60 K HN 0.406 nan 8.250 nan 0.000 0.512 61 H N 0.198 119.283 119.070 0.025 0.000 3.017 61 H HA 0.016 4.572 4.556 -0.000 0.000 0.255 61 H C -0.299 175.130 175.328 0.169 0.000 0.990 61 H CA 0.492 56.561 56.048 0.035 0.000 1.205 61 H CB 0.238 29.945 29.762 -0.092 0.000 1.460 61 H HN 0.436 nan 8.280 nan 0.000 0.478 62 V N 2.771 122.834 119.914 0.248 0.000 3.738 62 V HA -0.193 3.927 4.120 -0.000 0.000 0.430 62 V C -2.879 173.232 176.094 0.028 0.000 1.624 62 V CA -0.674 61.696 62.300 0.116 0.000 2.032 62 V CB 0.239 32.084 31.823 0.037 0.000 1.891 62 V HN 0.082 nan 8.190 nan 0.000 0.493 63 P HA 0.349 nan 4.420 nan 0.000 0.274 63 P C -0.488 176.415 177.300 -0.661 0.000 1.237 63 P CA -0.260 62.229 63.100 -1.019 0.000 0.793 63 P CB 0.379 30.805 31.700 -2.124 0.000 0.977 64 R N 1.134 121.367 120.500 -0.444 0.000 3.436 64 R HA 0.607 4.947 4.340 -0.000 0.000 0.247 64 R C -0.342 175.892 176.300 -0.111 0.000 1.434 64 R CA -0.164 55.812 56.100 -0.207 0.000 1.543 64 R CB 0.002 30.227 30.300 -0.125 0.000 1.289 64 R HN 0.496 nan 8.270 nan 0.000 0.664 65 A N 0.657 123.317 122.820 -0.267 0.000 2.485 65 A HA 0.719 5.039 4.320 -0.000 0.000 0.292 65 A C -0.914 176.687 177.584 0.028 0.000 1.147 65 A CA -0.710 51.313 52.037 -0.023 0.000 0.750 65 A CB 2.091 20.988 19.000 -0.172 0.000 1.331 65 A HN 0.232 nan 8.150 nan 0.000 0.419 66 V N -0.939 119.158 119.914 0.305 0.000 2.733 66 V HA 0.857 4.977 4.120 -0.000 0.000 0.306 66 V C -2.048 174.437 176.094 0.653 0.000 1.084 66 V CA -0.719 61.769 62.300 0.314 0.000 0.905 66 V CB 1.387 33.332 31.823 0.204 0.000 1.010 66 V HN 0.695 nan 8.190 nan 0.000 0.424 67 F N 5.041 125.101 119.950 0.182 0.000 2.458 67 F HA 0.861 5.388 4.527 -0.000 0.000 0.336 67 F C 0.105 175.961 175.800 0.093 0.000 1.114 67 F CA -1.149 56.951 58.000 0.166 0.000 0.987 67 F CB 2.194 41.253 39.000 0.099 0.000 1.130 67 F HN 0.635 nan 8.300 nan 0.000 0.458 68 V N 0.827 120.861 119.914 0.199 0.000 2.686 68 V HA 0.726 4.846 4.120 -0.000 0.000 0.306 68 V C -1.230 174.838 176.094 -0.043 0.000 1.065 68 V CA -0.622 61.703 62.300 0.041 0.000 0.894 68 V CB 2.025 33.826 31.823 -0.036 0.000 1.004 68 V HN 0.607 nan 8.190 nan 0.000 0.424 69 D N 2.242 122.589 120.400 -0.088 0.000 2.661 69 D HA 0.594 5.234 4.640 -0.000 0.000 0.228 69 D C -0.082 176.135 176.300 -0.139 0.000 1.183 69 D CA -0.592 53.347 54.000 -0.101 0.000 0.844 69 D CB 2.486 43.258 40.800 -0.047 0.000 1.555 69 D HN 0.310 nan 8.370 nan 0.000 0.453 70 L N 1.207 122.351 121.223 -0.132 0.000 2.591 70 L HA 0.241 4.581 4.340 -0.000 0.000 0.228 70 L C 0.823 177.653 176.870 -0.067 0.000 1.133 70 L CA 0.526 55.294 54.840 -0.120 0.000 0.880 70 L CB -0.723 41.263 42.059 -0.122 0.000 1.033 70 L HN 0.475 nan 8.230 nan 0.000 0.450 71 E N -1.832 118.338 120.200 -0.051 0.000 2.343 71 E HA 0.363 4.713 4.350 -0.000 0.000 0.270 71 E C -2.569 174.014 176.600 -0.029 0.000 0.895 71 E CA -1.848 54.532 56.400 -0.033 0.000 0.767 71 E CB 2.442 32.127 29.700 -0.025 0.000 1.248 71 E HN -0.221 nan 8.360 nan 0.000 0.440 72 P HA -0.125 nan 4.420 nan 0.000 0.203 72 P C 0.616 177.907 177.300 -0.014 0.000 1.202 72 P CA 2.221 65.312 63.100 -0.016 0.000 0.917 72 P CB -0.124 31.568 31.700 -0.013 0.000 0.750 73 T N -0.721 113.826 114.554 -0.013 0.000 10.555 73 T HA -0.328 4.022 4.350 -0.000 0.000 0.353 73 T C 1.598 176.290 174.700 -0.013 0.000 1.522 73 T CA 2.956 65.049 62.100 -0.012 0.000 2.084 73 T CB -2.439 66.423 68.868 -0.010 0.000 2.477 73 T HN -0.045 nan 8.240 nan 0.000 0.766 74 V N 2.274 122.178 119.914 -0.017 0.000 2.255 74 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 74 V C 2.630 178.719 176.094 -0.009 0.000 1.051 74 V CA 2.294 64.582 62.300 -0.020 0.000 1.018 74 V CB -0.977 30.823 31.823 -0.037 0.000 0.641 74 V HN 0.535 nan 8.190 nan 0.000 0.445 75 I N 0.640 121.213 120.570 0.005 0.000 2.361 75 I HA -0.205 3.965 4.170 -0.000 0.000 0.251 75 I C 2.266 178.377 176.117 -0.010 0.000 1.133 75 I CA 1.786 63.102 61.300 0.026 0.000 1.413 75 I CB -1.307 36.718 38.000 0.041 0.000 1.073 75 I HN 0.341 nan 8.210 nan 0.000 0.424 76 D N 1.009 121.400 120.400 -0.016 0.000 2.178 76 D HA -0.161 4.479 4.640 -0.000 0.000 0.201 76 D C 2.130 178.411 176.300 -0.032 0.000 0.980 76 D CA 0.941 54.927 54.000 -0.025 0.000 0.842 76 D CB -0.041 40.748 40.800 -0.018 0.000 0.948 76 D HN 0.404 nan 8.370 nan 0.000 0.472 77 E N -0.072 120.111 120.200 -0.027 0.000 2.274 77 E HA -0.058 4.292 4.350 -0.000 0.000 0.194 77 E C 2.135 178.710 176.600 -0.042 0.000 0.996 77 E CA 0.282 56.665 56.400 -0.028 0.000 0.840 77 E CB 0.353 30.043 29.700 -0.017 0.000 0.772 77 E HN 0.226 nan 8.360 nan 0.000 0.491 78 V N 1.506 121.386 119.914 -0.057 0.000 2.346 78 V HA -0.183 3.937 4.120 -0.000 0.000 0.244 78 V C 1.989 177.990 176.094 -0.155 0.000 1.037 78 V CA 1.456 63.688 62.300 -0.114 0.000 1.029 78 V CB -0.486 31.245 31.823 -0.153 0.000 0.663 78 V HN 0.198 nan 8.190 nan 0.000 0.454 79 R N -0.167 120.256 120.500 -0.128 0.000 2.346 79 R HA 0.047 4.387 4.340 -0.000 0.000 0.199 79 R C 1.611 177.865 176.300 -0.077 0.000 1.015 79 R CA 0.862 56.896 56.100 -0.111 0.000 1.058 79 R CB -0.392 29.859 30.300 -0.082 0.000 0.921 79 R HN 0.440 nan 8.270 nan 0.000 0.475 80 T N -0.101 114.411 114.554 -0.070 0.000 3.234 80 T HA 0.132 4.482 4.350 -0.000 0.000 0.235 80 T C 1.031 175.692 174.700 -0.064 0.000 0.971 80 T CA 0.546 62.613 62.100 -0.056 0.000 1.292 80 T CB 0.024 68.867 68.868 -0.043 0.000 0.994 80 T HN 0.405 nan 8.240 nan 0.000 0.412 81 G N 2.517 111.276 108.800 -0.068 0.000 2.614 81 G HA2 0.359 4.319 3.960 -0.000 0.000 0.239 81 G HA3 0.359 4.319 3.960 -0.000 0.000 0.239 81 G C 0.012 174.832 174.900 -0.134 0.000 1.240 81 G CA -0.348 44.696 45.100 -0.093 0.000 0.842 81 G HN 0.469 nan 8.290 nan 0.000 0.584 82 T N -0.848 113.577 114.554 -0.215 0.000 2.934 82 T HA 0.055 4.405 4.350 -0.000 0.000 0.321 82 T C 0.363 174.836 174.700 -0.378 0.000 1.080 82 T CA 0.987 62.911 62.100 -0.293 0.000 1.132 82 T CB 0.120 68.757 68.868 -0.384 0.000 1.039 82 T HN 0.891 nan 8.240 nan 0.000 0.543 83 Y N -1.863 118.428 120.300 -0.014 0.000 4.713 83 Y HA -0.258 4.292 4.550 -0.000 0.000 0.305 83 Y C 2.026 177.868 175.900 -0.096 0.000 0.837 83 Y CA 0.185 58.281 58.100 -0.007 0.000 1.533 83 Y CB -1.273 37.176 38.460 -0.019 0.000 0.846 83 Y HN 0.659 nan 8.280 nan 0.000 0.422 84 R N 1.672 122.178 120.500 0.010 0.000 2.083 84 R HA -0.202 4.138 4.340 -0.000 0.000 0.237 84 R C 1.589 177.878 176.300 -0.019 0.000 1.137 84 R CA 2.406 58.471 56.100 -0.057 0.000 0.951 84 R CB -0.098 30.168 30.300 -0.057 0.000 0.851 84 R HN 0.531 nan 8.270 nan 0.000 0.434 85 Q N 0.404 120.219 119.800 0.026 0.000 2.172 85 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 85 Q C 2.229 178.279 176.000 0.082 0.000 0.964 85 Q CA 0.781 56.602 55.803 0.031 0.000 0.855 85 Q CB -0.253 28.502 28.738 0.028 0.000 0.918 85 Q HN 0.287 nan 8.270 nan 0.000 0.444 86 L N 0.303 121.639 121.223 0.188 0.000 2.089 86 L HA -0.118 4.222 4.340 -0.000 0.000 0.213 86 L C 0.735 177.778 176.870 0.289 0.000 1.079 86 L CA 1.668 56.678 54.840 0.282 0.000 0.758 86 L CB -0.378 41.935 42.059 0.424 0.000 0.891 86 L HN -0.013 nan 8.230 nan 0.000 0.433 87 F N -2.279 117.592 119.950 -0.132 0.000 2.461 87 F HA 0.306 4.833 4.527 -0.000 0.000 0.337 87 F C 0.608 176.326 175.800 -0.137 0.000 1.079 87 F CA -1.118 56.775 58.000 -0.179 0.000 1.032 87 F CB 0.394 39.226 39.000 -0.281 0.000 1.327 87 F HN -0.211 nan 8.300 nan 0.000 0.491 88 H N 1.120 120.230 119.070 0.066 0.000 2.496 88 H HA 0.192 4.748 4.556 -0.000 0.000 0.342 88 H C -1.595 173.749 175.328 0.027 0.000 1.170 88 H CA -1.374 54.686 56.048 0.019 0.000 1.274 88 H CB 1.510 31.260 29.762 -0.020 0.000 1.538 88 H HN 0.120 nan 8.280 nan 0.000 0.542 89 P HA -0.111 nan 4.420 nan 0.000 0.221 89 P C 0.564 177.910 177.300 0.077 0.000 1.150 89 P CA 1.140 64.283 63.100 0.072 0.000 0.800 89 P CB 0.469 32.202 31.700 0.054 0.000 0.787 90 E N 0.375 120.637 120.200 0.103 0.000 2.106 90 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 90 E C 2.166 178.794 176.600 0.048 0.000 0.984 90 E CA 1.000 57.433 56.400 0.055 0.000 0.806 90 E CB -0.428 29.282 29.700 0.015 0.000 0.750 90 E HN 0.488 nan 8.360 nan 0.000 0.458 91 Q N 0.211 120.045 119.800 0.057 0.000 2.488 91 Q HA -0.031 4.309 4.340 -0.000 0.000 0.211 91 Q C 0.198 176.243 176.000 0.075 0.000 0.967 91 Q CA 0.516 56.346 55.803 0.044 0.000 0.926 91 Q CB -0.033 28.694 28.738 -0.018 0.000 0.992 91 Q HN 0.259 nan 8.270 nan 0.000 0.506 92 L N 2.031 123.292 121.223 0.064 0.000 2.321 92 L HA 0.447 4.787 4.340 -0.000 0.000 0.272 92 L C -0.691 176.218 176.870 0.064 0.000 1.050 92 L CA -0.677 54.204 54.840 0.067 0.000 0.893 92 L CB 0.576 42.633 42.059 -0.002 0.000 1.272 92 L HN 0.083 nan 8.230 nan 0.000 0.435 93 I N 2.065 122.685 120.570 0.083 0.000 2.385 93 I HA 0.430 4.600 4.170 -0.000 0.000 0.294 93 I C 0.584 176.710 176.117 0.016 0.000 0.988 93 I CA 0.057 61.382 61.300 0.041 0.000 1.265 93 I CB 1.972 39.994 38.000 0.037 0.000 1.388 93 I HN 0.452 nan 8.210 nan 0.000 0.480 94 T N 2.013 116.562 114.554 -0.009 0.000 2.896 94 T HA 0.685 5.035 4.350 -0.000 0.000 0.297 94 T C 0.162 174.836 174.700 -0.044 0.000 1.108 94 T CA -0.490 61.594 62.100 -0.026 0.000 1.004 94 T CB 1.815 70.676 68.868 -0.011 0.000 1.159 94 T HN 0.710 nan 8.240 nan 0.000 0.499 95 G N 1.270 110.036 108.800 -0.057 0.000 3.839 95 G HA2 0.315 4.275 3.960 -0.000 0.000 0.286 95 G HA3 0.315 4.275 3.960 -0.000 0.000 0.286 95 G C 0.624 175.502 174.900 -0.037 0.000 1.005 95 G CA 0.515 45.581 45.100 -0.057 0.000 0.824 95 G HN 1.114 nan 8.290 nan 0.000 0.489 96 K N -0.899 119.485 120.400 -0.027 0.000 10.031 96 K HA -0.263 4.057 4.320 -0.000 0.000 0.514 96 K C -0.101 176.490 176.600 -0.015 0.000 0.374 96 K CA 1.850 58.127 56.287 -0.017 0.000 1.951 96 K CB -1.019 31.474 32.500 -0.011 0.000 0.736 96 K HN 0.297 nan 8.250 nan 0.000 1.121 97 E N 2.402 122.592 120.200 -0.016 0.000 2.227 97 E HA 0.170 4.520 4.350 -0.000 0.000 0.282 97 E C -0.748 175.842 176.600 -0.017 0.000 1.015 97 E CA -0.229 56.165 56.400 -0.010 0.000 0.823 97 E CB 1.338 31.037 29.700 -0.002 0.000 1.081 97 E HN 0.289 nan 8.360 nan 0.000 0.396 98 D N 1.612 122.003 120.400 -0.014 0.000 2.357 98 D HA 0.120 4.760 4.640 -0.000 0.000 0.242 98 D C 0.610 176.902 176.300 -0.013 0.000 1.153 98 D CA 0.068 54.057 54.000 -0.018 0.000 0.918 98 D CB 1.347 42.136 40.800 -0.018 0.000 1.181 98 D HN 0.446 nan 8.370 nan 0.000 0.435 99 A N 2.100 124.912 122.820 -0.012 0.000 2.067 99 A HA 0.218 4.538 4.320 -0.000 0.000 0.219 99 A C 1.593 179.176 177.584 -0.002 0.000 1.158 99 A CA 1.935 53.974 52.037 0.004 0.000 0.661 99 A CB -0.473 18.538 19.000 0.018 0.000 0.801 99 A HN 1.164 nan 8.150 nan 0.000 0.452 100 A N -2.122 120.683 122.820 -0.025 0.000 3.661 100 A HA -0.293 4.027 4.320 -0.000 0.000 0.269 100 A C 0.982 178.512 177.584 -0.091 0.000 1.056 100 A CA 1.505 53.503 52.037 -0.065 0.000 1.159 100 A CB -1.960 16.997 19.000 -0.072 0.000 1.105 100 A HN 1.231 nan 8.150 nan 0.000 0.907 101 N N -1.781 116.895 118.700 -0.041 0.000 3.031 101 N HA -0.163 4.577 4.740 -0.000 0.000 0.232 101 N C -0.652 174.853 175.510 -0.008 0.000 0.958 101 N CA 1.385 54.417 53.050 -0.029 0.000 0.964 101 N CB -1.448 36.990 38.487 -0.081 0.000 1.086 101 N HN 1.551 nan 8.380 nan 0.000 0.558 102 N N -0.044 118.651 118.700 -0.008 0.000 2.519 102 N HA 0.072 4.812 4.740 -0.000 0.000 0.286 102 N C 0.810 176.448 175.510 0.215 0.000 1.079 102 N CA -0.493 52.565 53.050 0.013 0.000 0.878 102 N CB 0.416 38.631 38.487 -0.453 0.000 1.375 102 N HN 0.125 nan 8.380 nan 0.000 0.514 103 Y N 3.961 124.433 120.300 0.287 0.000 2.100 103 Y HA -0.444 4.106 4.550 -0.000 0.000 0.267 103 Y C 2.180 178.261 175.900 0.301 0.000 1.250 103 Y CA 3.498 61.766 58.100 0.280 0.000 1.105 103 Y CB -0.476 38.147 38.460 0.273 0.000 0.924 103 Y HN 0.710 nan 8.280 nan 0.000 0.508 104 A N -0.231 122.990 122.820 0.669 0.000 2.042 104 A HA -0.317 4.003 4.320 -0.000 0.000 0.222 104 A C 2.233 180.057 177.584 0.400 0.000 1.167 104 A CA 2.266 54.688 52.037 0.642 0.000 0.649 104 A CB -0.843 18.546 19.000 0.649 0.000 0.809 104 A HN 0.662 nan 8.150 nan 0.000 0.457 105 R N -1.375 119.251 120.500 0.211 0.000 2.057 105 R HA 0.062 4.402 4.340 -0.000 0.000 0.224 105 R C 2.403 178.763 176.300 0.100 0.000 1.136 105 R CA 1.154 57.341 56.100 0.145 0.000 0.968 105 R CB -0.654 29.695 30.300 0.082 0.000 0.863 105 R HN 0.424 nan 8.270 nan 0.000 0.433 106 G N -0.917 107.920 108.800 0.062 0.000 2.442 106 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.219 106 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.219 106 G C 1.224 176.116 174.900 -0.012 0.000 1.141 106 G CA 1.320 46.454 45.100 0.055 0.000 0.763 106 G HN 0.419 nan 8.290 nan 0.000 0.554 107 H N -1.539 117.305 119.070 -0.377 0.000 2.482 107 H HA 0.231 4.787 4.556 -0.000 0.000 0.286 107 H C 1.464 176.462 175.328 -0.549 0.000 1.017 107 H CA 0.941 56.596 56.048 -0.655 0.000 1.322 107 H CB 0.219 29.180 29.762 -1.336 0.000 1.426 107 H HN 0.499 nan 8.280 nan 0.000 0.546 108 Y N -2.123 118.138 120.300 -0.064 0.000 3.131 108 Y HA 0.106 4.656 4.550 -0.000 0.000 0.163 108 Y C 2.569 178.466 175.900 -0.005 0.000 0.886 108 Y CA 0.243 58.314 58.100 -0.049 0.000 1.800 108 Y CB -0.253 38.240 38.460 0.056 0.000 1.321 108 Y HN -0.092 nan 8.280 nan 0.000 0.387 109 T N 1.458 116.161 114.554 0.249 0.000 2.469 109 T HA -0.279 4.071 4.350 -0.000 0.000 0.254 109 T C 1.732 176.490 174.700 0.097 0.000 1.214 109 T CA 2.368 64.554 62.100 0.144 0.000 1.202 109 T CB -0.654 68.294 68.868 0.134 0.000 0.864 109 T HN 0.196 nan 8.240 nan 0.000 0.408 110 I N 0.957 121.578 120.570 0.086 0.000 2.676 110 I HA 0.081 4.251 4.170 -0.000 0.000 0.259 110 I C 2.292 178.446 176.117 0.061 0.000 1.194 110 I CA 0.734 62.068 61.300 0.057 0.000 1.473 110 I CB -0.579 37.445 38.000 0.039 0.000 1.096 110 I HN 0.330 nan 8.210 nan 0.000 0.443 111 G N -0.410 108.448 108.800 0.095 0.000 2.454 111 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.214 111 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.214 111 G C 1.710 176.698 174.900 0.148 0.000 1.217 111 G CA 0.450 45.663 45.100 0.189 0.000 0.799 111 G HN 0.200 nan 8.290 nan 0.000 0.538 112 K N 0.033 120.470 120.400 0.062 0.000 2.169 112 K HA -0.257 4.063 4.320 -0.000 0.000 0.213 112 K C 2.313 178.945 176.600 0.054 0.000 1.050 112 K CA 1.942 58.250 56.287 0.036 0.000 0.935 112 K CB -0.108 32.413 32.500 0.035 0.000 0.722 112 K HN 0.195 nan 8.250 nan 0.000 0.468 113 E N -0.048 120.186 120.200 0.057 0.000 2.150 113 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 113 E C 1.786 178.414 176.600 0.047 0.000 0.985 113 E CA 0.876 57.302 56.400 0.043 0.000 0.814 113 E CB -0.023 29.696 29.700 0.031 0.000 0.752 113 E HN 0.311 nan 8.360 nan 0.000 0.466 114 I N 0.157 120.770 120.570 0.071 0.000 4.070 114 I HA 0.012 4.182 4.170 -0.000 0.000 0.328 114 I C 1.700 177.919 176.117 0.170 0.000 1.298 114 I CA -0.041 61.298 61.300 0.065 0.000 1.173 114 I CB 0.315 38.285 38.000 -0.050 0.000 1.051 114 I HN 0.007 nan 8.210 nan 0.000 0.409 115 I N 0.822 121.540 120.570 0.247 0.000 2.163 115 I HA -0.326 3.844 4.170 -0.000 0.000 0.243 115 I C 1.619 177.796 176.117 0.101 0.000 1.085 115 I CA 1.931 63.362 61.300 0.218 0.000 1.347 115 I CB -0.416 37.614 38.000 0.048 0.000 1.044 115 I HN 0.245 nan 8.210 nan 0.000 0.408 116 D N 0.197 120.633 120.400 0.060 0.000 2.144 116 D HA -0.209 4.431 4.640 -0.000 0.000 0.199 116 D C 1.912 178.237 176.300 0.042 0.000 0.984 116 D CA 0.763 54.782 54.000 0.032 0.000 0.834 116 D CB 0.020 40.831 40.800 0.019 0.000 0.955 116 D HN 0.156 nan 8.370 nan 0.000 0.465 117 L N -0.145 121.111 121.223 0.055 0.000 2.240 117 L HA -0.019 4.321 4.340 -0.000 0.000 0.211 117 L C 1.782 178.691 176.870 0.065 0.000 1.106 117 L CA 1.073 55.942 54.840 0.049 0.000 0.793 117 L CB -0.096 41.985 42.059 0.038 0.000 0.927 117 L HN -0.037 nan 8.230 nan 0.000 0.446 118 V N -1.189 118.787 119.914 0.104 0.000 2.273 118 V HA -0.208 3.912 4.120 -0.000 0.000 0.242 118 V C 2.389 178.538 176.094 0.091 0.000 1.035 118 V CA 1.293 63.670 62.300 0.128 0.000 1.013 118 V CB -0.578 31.397 31.823 0.254 0.000 0.652 118 V HN 0.313 nan 8.190 nan 0.000 0.452 119 L N 0.909 122.176 121.223 0.073 0.000 2.064 119 L HA -0.302 4.038 4.340 -0.000 0.000 0.216 119 L C 2.373 179.274 176.870 0.050 0.000 1.077 119 L CA 2.628 57.489 54.840 0.034 0.000 0.766 119 L CB -0.707 41.351 42.059 -0.003 0.000 0.890 119 L HN 0.592 nan 8.230 nan 0.000 0.435 120 D N -1.287 119.139 120.400 0.043 0.000 2.149 120 D HA -0.192 4.448 4.640 -0.000 0.000 0.201 120 D C 2.178 178.507 176.300 0.048 0.000 0.972 120 D CA 0.889 54.913 54.000 0.039 0.000 0.835 120 D CB 0.062 40.877 40.800 0.025 0.000 0.966 120 D HN 0.354 nan 8.370 nan 0.000 0.476 121 R N 0.539 121.068 120.500 0.049 0.000 2.115 121 R HA -0.024 4.316 4.340 -0.000 0.000 0.226 121 R C 2.645 178.977 176.300 0.052 0.000 1.100 121 R CA 0.908 57.033 56.100 0.041 0.000 0.980 121 R CB -0.247 30.077 30.300 0.041 0.000 0.875 121 R HN 0.445 nan 8.270 nan 0.000 0.445 122 I N -1.517 119.097 120.570 0.074 0.000 2.493 122 I HA -0.150 4.020 4.170 -0.000 0.000 0.254 122 I C 2.092 178.291 176.117 0.138 0.000 1.160 122 I CA 1.345 62.700 61.300 0.091 0.000 1.445 122 I CB -0.227 37.803 38.000 0.050 0.000 1.086 122 I HN -0.053 nan 8.210 nan 0.000 0.433 123 R N 1.607 122.202 120.500 0.158 0.000 2.193 123 R HA -0.027 4.313 4.340 -0.000 0.000 0.213 123 R C 2.244 178.608 176.300 0.106 0.000 1.055 123 R CA 0.951 57.170 56.100 0.200 0.000 0.995 123 R CB -0.136 30.269 30.300 0.174 0.000 0.893 123 R HN 0.340 nan 8.270 nan 0.000 0.459 124 K N -0.335 120.101 120.400 0.060 0.000 2.217 124 K HA -0.006 4.314 4.320 -0.000 0.000 0.202 124 K C 1.595 178.194 176.600 -0.002 0.000 1.051 124 K CA 0.753 57.051 56.287 0.017 0.000 0.952 124 K CB 0.129 32.625 32.500 -0.007 0.000 0.736 124 K HN 0.218 nan 8.250 nan 0.000 0.453 125 L N -0.376 120.855 121.223 0.012 0.000 2.127 125 L HA -0.006 4.334 4.340 -0.000 0.000 0.203 125 L C 2.145 179.010 176.870 -0.007 0.000 1.080 125 L CA 0.692 55.525 54.840 -0.011 0.000 0.768 125 L CB -0.191 41.868 42.059 0.000 0.000 0.924 125 L HN 0.136 nan 8.230 nan 0.000 0.444 126 A N -0.904 121.934 122.820 0.029 0.000 2.209 126 A HA -0.184 4.136 4.320 -0.000 0.000 0.212 126 A C 1.543 179.138 177.584 0.018 0.000 1.158 126 A CA 1.373 53.414 52.037 0.008 0.000 0.742 126 A CB -0.398 18.633 19.000 0.051 0.000 0.790 126 A HN 0.326 nan 8.150 nan 0.000 0.472 127 D N -0.085 120.330 120.400 0.025 0.000 2.277 127 D HA -0.056 4.584 4.640 -0.000 0.000 0.208 127 D C 1.271 177.569 176.300 -0.002 0.000 0.962 127 D CA 0.900 54.911 54.000 0.019 0.000 0.865 127 D CB 0.050 40.862 40.800 0.020 0.000 0.939 127 D HN 0.710 nan 8.370 nan 0.000 0.510 128 Q N 0.301 120.092 119.800 -0.015 0.000 2.923 128 Q HA 0.321 4.661 4.340 -0.000 0.000 0.363 128 Q C -0.935 175.048 176.000 -0.029 0.000 1.159 128 Q CA -0.196 55.595 55.803 -0.019 0.000 1.073 128 Q CB -0.072 28.653 28.738 -0.022 0.000 1.364 128 Q HN 0.025 nan 8.270 nan 0.000 0.466 129 C N 1.665 120.946 119.300 -0.032 0.000 3.220 129 C HA 0.200 4.660 4.460 -0.000 0.000 0.352 129 C C 0.351 175.315 174.990 -0.043 0.000 1.031 129 C CA -0.775 58.213 59.018 -0.050 0.000 1.338 129 C CB 0.844 28.535 27.740 -0.082 0.000 1.763 129 C HN 0.640 nan 8.230 nan 0.000 0.548 130 T N -0.229 114.305 114.554 -0.034 0.000 2.933 130 T HA 0.449 4.799 4.350 -0.000 0.000 0.263 130 T C 0.949 175.628 174.700 -0.036 0.000 0.925 130 T CA 0.831 62.915 62.100 -0.026 0.000 1.156 130 T CB -0.013 68.844 68.868 -0.018 0.000 0.916 130 T HN 1.909 nan 8.240 nan 0.000 0.601 131 G N 2.385 111.162 108.800 -0.039 0.000 2.734 131 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.277 131 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.277 131 G C -0.294 174.557 174.900 -0.083 0.000 1.099 131 G CA -0.433 44.639 45.100 -0.048 0.000 1.218 131 G HN 0.969 nan 8.290 nan 0.000 0.554 132 L N -0.030 121.127 121.223 -0.109 0.000 2.472 132 L HA 0.454 4.794 4.340 -0.000 0.000 0.273 132 L C 1.511 178.257 176.870 -0.207 0.000 1.254 132 L CA 1.425 56.151 54.840 -0.190 0.000 0.823 132 L CB 0.718 42.622 42.059 -0.258 0.000 1.096 132 L HN 0.571 nan 8.230 nan 0.000 0.521 133 Q N 0.597 120.228 119.800 -0.281 0.000 2.548 133 Q HA 0.396 4.736 4.340 -0.000 0.000 0.230 133 Q C 0.117 175.934 176.000 -0.305 0.000 0.899 133 Q CA 0.390 56.048 55.803 -0.241 0.000 0.936 133 Q CB 0.799 29.411 28.738 -0.210 0.000 1.114 133 Q HN 0.952 nan 8.270 nan 0.000 0.606 134 G N -0.692 107.820 108.800 -0.480 0.000 2.315 134 G HA2 0.322 4.282 3.960 -0.000 0.000 0.294 134 G HA3 0.322 4.282 3.960 -0.000 0.000 0.294 134 G C -1.855 172.630 174.900 -0.692 0.000 1.300 134 G CA -0.906 43.865 45.100 -0.548 0.000 0.843 134 G HN 0.080 nan 8.290 nan 0.000 0.527 135 F N 0.435 120.308 119.950 -0.129 0.000 2.508 135 F HA 0.694 5.221 4.527 -0.000 0.000 0.325 135 F C 0.614 176.383 175.800 -0.052 0.000 1.090 135 F CA -0.777 57.161 58.000 -0.103 0.000 0.945 135 F CB 2.726 41.664 39.000 -0.104 0.000 1.156 135 F HN 0.270 nan 8.300 nan 0.000 0.463 136 S N 2.051 117.855 115.700 0.173 0.000 2.422 136 S HA 0.602 5.072 4.470 -0.000 0.000 0.308 136 S C -0.646 173.969 174.600 0.025 0.000 1.097 136 S CA -0.627 57.636 58.200 0.105 0.000 1.099 136 S CB 1.107 64.412 63.200 0.174 0.000 0.976 136 S HN 0.330 nan 8.310 nan 0.000 0.471 137 V N 5.065 124.940 119.914 -0.065 0.000 2.448 137 V HA 0.514 4.634 4.120 -0.000 0.000 0.295 137 V C -1.040 174.995 176.094 -0.098 0.000 1.025 137 V CA -0.662 61.617 62.300 -0.035 0.000 0.859 137 V CB 0.871 32.693 31.823 -0.001 0.000 0.988 137 V HN 0.738 nan 8.190 nan 0.000 0.431 138 F N 5.376 125.370 119.950 0.073 0.000 2.411 138 F HA 0.716 5.243 4.527 -0.000 0.000 0.352 138 F C 0.362 176.304 175.800 0.237 0.000 1.123 138 F CA -0.364 57.731 58.000 0.159 0.000 1.044 138 F CB 1.123 40.132 39.000 0.015 0.000 1.135 138 F HN 0.714 nan 8.300 nan 0.000 0.461 139 H N -0.869 118.329 119.070 0.214 0.000 3.042 139 H HA 0.500 5.056 4.556 -0.000 0.000 0.346 139 H C -1.426 173.974 175.328 0.120 0.000 1.294 139 H CA -1.277 54.865 56.048 0.158 0.000 1.141 139 H CB 0.796 30.653 29.762 0.157 0.000 1.872 139 H HN 0.432 nan 8.280 nan 0.000 0.541 140 S N 1.071 116.793 115.700 0.036 0.000 2.592 140 S HA 0.220 4.690 4.470 -0.000 0.000 0.271 140 S C 1.073 175.706 174.600 0.055 0.000 1.326 140 S CA -0.688 57.507 58.200 -0.008 0.000 1.024 140 S CB 0.879 64.124 63.200 0.076 0.000 0.921 140 S HN 0.571 nan 8.310 nan 0.000 0.527 141 F N 0.951 120.879 119.950 -0.036 0.000 2.104 141 F HA 0.173 4.700 4.527 -0.000 0.000 0.288 141 F C 1.917 177.766 175.800 0.081 0.000 1.107 141 F CA 0.326 58.342 58.000 0.026 0.000 1.208 141 F CB -0.290 38.718 39.000 0.014 0.000 1.033 141 F HN 0.740 nan 8.300 nan 0.000 0.478 142 G N -0.749 108.197 108.800 0.243 0.000 2.522 142 G HA2 0.466 4.426 3.960 -0.000 0.000 0.304 142 G HA3 0.466 4.426 3.960 -0.000 0.000 0.304 142 G C -0.728 174.267 174.900 0.158 0.000 1.210 142 G CA 0.159 45.350 45.100 0.151 0.000 0.960 142 G HN 0.629 nan 8.290 nan 0.000 0.497 143 G N -1.937 106.944 108.800 0.136 0.000 2.885 143 G HA2 0.407 4.367 3.960 -0.000 0.000 0.685 143 G HA3 0.407 4.367 3.960 -0.000 0.000 0.685 143 G C 0.841 175.828 174.900 0.144 0.000 1.216 143 G CA 0.031 45.200 45.100 0.115 0.000 0.790 143 G HN 1.596 nan 8.290 nan 0.000 0.631 144 G N 0.641 109.502 108.800 0.101 0.000 2.900 144 G HA2 0.009 3.969 3.960 -0.000 0.000 0.212 144 G HA3 0.009 3.969 3.960 -0.000 0.000 0.212 144 G C 2.095 177.074 174.900 0.131 0.000 1.359 144 G CA 3.096 48.255 45.100 0.099 0.000 0.800 144 G HN 2.237 nan 8.290 nan 0.000 0.680 145 T N -0.709 113.910 114.554 0.108 0.000 3.067 145 T HA 0.226 4.576 4.350 -0.000 0.000 0.261 145 T C 2.350 177.178 174.700 0.212 0.000 1.110 145 T CA 1.468 63.651 62.100 0.138 0.000 1.113 145 T CB -0.312 68.585 68.868 0.050 0.000 0.917 145 T HN 0.391 nan 8.240 nan 0.000 0.499 146 G N 1.333 110.259 108.800 0.210 0.000 2.440 146 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 146 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 146 G C 1.924 177.068 174.900 0.406 0.000 1.154 146 G CA 1.306 46.582 45.100 0.293 0.000 0.767 146 G HN 0.695 nan 8.290 nan 0.000 0.552 147 S N 0.474 116.390 115.700 0.361 0.000 2.371 147 S HA 0.171 4.641 4.470 -0.000 0.000 0.219 147 S C 2.430 177.232 174.600 0.337 0.000 1.040 147 S CA 1.058 59.515 58.200 0.429 0.000 0.958 147 S CB -0.824 62.641 63.200 0.441 0.000 0.860 147 S HN 0.433 nan 8.310 nan 0.000 0.487 148 G N 1.388 110.294 108.800 0.178 0.000 2.575 148 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.215 148 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.215 148 G C 1.217 176.086 174.900 -0.052 0.000 1.262 148 G CA 0.752 45.739 45.100 -0.187 0.000 0.807 148 G HN 0.412 nan 8.290 nan 0.000 0.567 149 F N 1.921 121.836 119.950 -0.059 0.000 2.091 149 F HA -0.166 4.361 4.527 -0.000 0.000 0.299 149 F C 3.054 178.836 175.800 -0.030 0.000 1.103 149 F CA 2.288 60.260 58.000 -0.046 0.000 1.228 149 F CB -0.402 38.586 39.000 -0.020 0.000 0.984 149 F HN 0.158 nan 8.300 nan 0.000 0.477 150 T N -0.871 113.719 114.554 0.061 0.000 2.570 150 T HA -0.328 4.022 4.350 -0.000 0.000 0.266 150 T C 2.154 176.757 174.700 -0.162 0.000 1.071 150 T CA 1.890 63.933 62.100 -0.095 0.000 1.172 150 T CB -1.007 67.783 68.868 -0.130 0.000 0.864 150 T HN 0.348 nan 8.240 nan 0.000 0.421 151 S N 0.675 116.345 115.700 -0.049 0.000 2.381 151 S HA -0.165 4.305 4.470 -0.000 0.000 0.230 151 S C 1.976 176.560 174.600 -0.026 0.000 1.052 151 S CA 1.575 59.770 58.200 -0.007 0.000 1.068 151 S CB -0.559 62.667 63.200 0.043 0.000 0.918 151 S HN 0.360 nan 8.310 nan 0.000 0.448 152 L N 1.280 122.475 121.223 -0.048 0.000 2.093 152 L HA 0.093 4.433 4.340 -0.000 0.000 0.208 152 L C 2.164 178.822 176.870 -0.354 0.000 1.085 152 L CA 1.485 56.207 54.840 -0.196 0.000 0.755 152 L CB -0.544 41.257 42.059 -0.430 0.000 0.904 152 L HN 0.393 nan 8.230 nan 0.000 0.435 153 L N -0.985 119.930 121.223 -0.513 0.000 1.989 153 L HA -0.255 4.085 4.340 -0.000 0.000 0.211 153 L C 2.538 179.220 176.870 -0.312 0.000 1.071 153 L CA 2.016 56.570 54.840 -0.476 0.000 0.749 153 L CB -0.309 41.461 42.059 -0.481 0.000 0.890 153 L HN 0.366 nan 8.230 nan 0.000 0.431 154 M N -0.509 118.935 119.600 -0.260 0.000 2.108 154 M HA -0.228 4.252 4.480 -0.000 0.000 0.261 154 M C 1.995 178.076 176.300 -0.366 0.000 1.066 154 M CA 1.594 56.758 55.300 -0.226 0.000 1.107 154 M CB -1.094 31.433 32.600 -0.122 0.000 1.356 154 M HN 0.342 nan 8.290 nan 0.000 0.406 155 E N 0.371 120.353 120.200 -0.364 0.000 2.038 155 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 155 E C 2.124 178.494 176.600 -0.384 0.000 1.000 155 E CA 1.139 57.230 56.400 -0.515 0.000 0.803 155 E CB -0.386 29.216 29.700 -0.162 0.000 0.750 155 E HN 0.580 nan 8.360 nan 0.000 0.448 156 R N 0.458 120.803 120.500 -0.258 0.000 2.148 156 R HA 0.016 4.356 4.340 -0.000 0.000 0.223 156 R C 2.587 178.791 176.300 -0.160 0.000 1.088 156 R CA 0.452 56.437 56.100 -0.193 0.000 0.985 156 R CB -0.270 29.925 30.300 -0.174 0.000 0.880 156 R HN 0.182 nan 8.270 nan 0.000 0.451 157 L N 0.385 121.513 121.223 -0.159 0.000 2.131 157 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 157 L C 2.149 179.049 176.870 0.050 0.000 1.092 157 L CA 1.097 55.923 54.840 -0.024 0.000 0.759 157 L CB -0.202 41.775 42.059 -0.137 0.000 0.903 157 L HN 0.121 nan 8.230 nan 0.000 0.435 158 S N -0.932 114.712 115.700 -0.094 0.000 2.423 158 S HA -0.099 4.371 4.470 -0.000 0.000 0.231 158 S C 1.924 176.496 174.600 -0.047 0.000 1.014 158 S CA 0.808 58.972 58.200 -0.060 0.000 0.965 158 S CB 0.047 63.132 63.200 -0.192 0.000 0.785 158 S HN 0.184 nan 8.310 nan 0.000 0.495 159 V N 1.983 121.838 119.914 -0.098 0.000 2.407 159 V HA -0.081 4.039 4.120 -0.000 0.000 0.245 159 V C 1.827 177.840 176.094 -0.135 0.000 1.041 159 V CA 1.414 63.658 62.300 -0.093 0.000 1.040 159 V CB -0.405 31.358 31.823 -0.100 0.000 0.671 159 V HN 0.411 nan 8.190 nan 0.000 0.455 160 D N -1.260 119.005 120.400 -0.227 0.000 2.289 160 D HA -0.004 4.636 4.640 -0.000 0.000 0.207 160 D C -0.010 175.878 176.300 -0.687 0.000 0.966 160 D CA 0.874 54.584 54.000 -0.485 0.000 0.868 160 D CB 0.238 40.644 40.800 -0.656 0.000 0.943 160 D HN 0.534 nan 8.370 nan 0.000 0.514 161 Y N 0.007 120.332 120.300 0.042 0.000 2.662 161 Y HA 0.353 4.903 4.550 -0.000 0.000 0.358 161 Y C 1.527 177.457 175.900 0.049 0.000 1.041 161 Y CA -0.893 57.252 58.100 0.076 0.000 1.184 161 Y CB 1.330 39.908 38.460 0.197 0.000 1.114 161 Y HN -0.210 nan 8.280 nan 0.000 0.650 162 G N 2.326 111.188 108.800 0.104 0.000 2.777 162 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.217 162 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.217 162 G C 1.447 176.395 174.900 0.080 0.000 1.295 162 G CA 1.705 46.847 45.100 0.070 0.000 0.800 162 G HN 0.520 nan 8.290 nan 0.000 0.637 163 K N 0.847 121.288 120.400 0.067 0.000 1.965 163 K HA 0.040 4.360 4.320 -0.000 0.000 0.214 163 K C 0.733 177.364 176.600 0.053 0.000 1.042 163 K CA 0.887 57.202 56.287 0.047 0.000 0.950 163 K CB -0.432 32.084 32.500 0.027 0.000 0.733 163 K HN 0.143 nan 8.250 nan 0.000 0.441 164 K N 2.658 123.083 120.400 0.041 0.000 2.382 164 K HA -0.130 4.190 4.320 -0.000 0.000 0.244 164 K C -0.309 176.302 176.600 0.018 0.000 1.068 164 K CA 0.626 56.906 56.287 -0.011 0.000 1.150 164 K CB -0.905 31.555 32.500 -0.065 0.000 0.726 164 K HN 0.338 nan 8.250 nan 0.000 0.486 165 S N 3.180 118.867 115.700 -0.021 0.000 2.585 165 S HA 0.219 4.689 4.470 -0.000 0.000 0.273 165 S C 0.071 174.697 174.600 0.044 0.000 1.339 165 S CA -0.652 57.554 58.200 0.010 0.000 1.028 165 S CB 1.169 64.365 63.200 -0.006 0.000 0.906 165 S HN 0.421 nan 8.310 nan 0.000 0.528 166 K N 0.998 121.436 120.400 0.064 0.000 2.450 166 K HA 0.451 4.771 4.320 -0.000 0.000 0.257 166 K C -1.667 174.956 176.600 0.038 0.000 0.953 166 K CA -0.457 55.884 56.287 0.090 0.000 0.844 166 K CB 1.247 33.807 32.500 0.099 0.000 1.103 166 K HN 0.345 nan 8.250 nan 0.000 0.429 167 L N 3.939 125.188 121.223 0.042 0.000 2.294 167 L HA 0.212 4.552 4.340 -0.000 0.000 0.283 167 L C -0.128 176.754 176.870 0.020 0.000 1.015 167 L CA -0.215 54.632 54.840 0.011 0.000 0.831 167 L CB 1.134 43.223 42.059 0.051 0.000 1.217 167 L HN 0.579 nan 8.230 nan 0.000 0.420 168 E N 2.584 122.776 120.200 -0.014 0.000 2.242 168 E HA 0.381 4.731 4.350 -0.000 0.000 0.275 168 E C -1.257 175.338 176.600 -0.010 0.000 1.002 168 E CA -0.553 55.880 56.400 0.056 0.000 0.841 168 E CB 1.290 31.082 29.700 0.153 0.000 1.109 168 E HN 0.297 nan 8.360 nan 0.000 0.394 169 F N 1.999 121.916 119.950 -0.055 0.000 2.363 169 F HA 0.252 4.779 4.527 -0.000 0.000 0.366 169 F C -0.415 175.356 175.800 -0.048 0.000 1.083 169 F CA -0.473 57.508 58.000 -0.032 0.000 1.176 169 F CB 1.546 40.393 39.000 -0.255 0.000 1.432 169 F HN 0.350 nan 8.300 nan 0.000 0.482 170 S N 3.282 118.947 115.700 -0.060 0.000 2.586 170 S HA 0.567 5.037 4.470 -0.000 0.000 0.274 170 S C -0.270 174.101 174.600 -0.382 0.000 1.281 170 S CA -0.425 57.468 58.200 -0.512 0.000 1.035 170 S CB 1.331 63.945 63.200 -0.977 0.000 0.962 170 S HN 0.312 nan 8.310 nan 0.000 0.512 171 I N 2.954 123.288 120.570 -0.393 0.000 2.371 171 I HA 0.209 4.379 4.170 -0.000 0.000 0.282 171 I C -0.603 175.517 176.117 0.005 0.000 1.031 171 I CA -0.400 60.834 61.300 -0.109 0.000 1.180 171 I CB 0.359 38.352 38.000 -0.013 0.000 1.336 171 I HN 0.607 nan 8.210 nan 0.000 0.467 172 Y N 9.943 130.225 120.300 -0.031 0.000 2.465 172 Y HA 0.341 4.891 4.550 -0.000 0.000 0.331 172 Y C -2.172 173.795 175.900 0.112 0.000 1.102 172 Y CA -2.063 56.156 58.100 0.197 0.000 1.358 172 Y CB 0.485 39.013 38.460 0.113 0.000 1.213 172 Y HN 0.369 nan 8.280 nan 0.000 0.525 173 P HA 0.403 nan 4.420 nan 0.000 0.282 173 P C -1.705 175.541 177.300 -0.090 0.000 1.249 173 P CA -0.417 62.641 63.100 -0.071 0.000 0.806 173 P CB 1.587 33.226 31.700 -0.101 0.000 0.984 174 A N 3.755 126.563 122.820 -0.020 0.000 2.402 174 A HA 0.563 4.883 4.320 -0.000 0.000 0.291 174 A C -1.898 175.641 177.584 -0.076 0.000 1.051 174 A CA -1.633 50.387 52.037 -0.028 0.000 0.716 174 A CB 0.799 19.806 19.000 0.012 0.000 1.223 174 A HN 0.232 nan 8.150 nan 0.000 0.425 175 P HA -0.394 nan 4.420 nan 0.000 0.230 175 P C 1.525 178.754 177.300 -0.118 0.000 1.124 175 P CA 2.587 65.633 63.100 -0.089 0.000 0.985 175 P CB 0.041 31.694 31.700 -0.079 0.000 0.774 176 Q N -0.528 119.153 119.800 -0.198 0.000 1.990 176 Q HA -0.060 4.280 4.340 -0.000 0.000 0.200 176 Q C 1.238 177.106 176.000 -0.219 0.000 0.980 176 Q CA 1.454 57.096 55.803 -0.270 0.000 0.832 176 Q CB -1.453 26.967 28.738 -0.529 0.000 0.897 176 Q HN 0.148 nan 8.270 nan 0.000 0.427 177 V N 3.002 122.783 119.914 -0.222 0.000 1.956 177 V HA 0.036 4.156 4.120 -0.000 0.000 0.248 177 V C 0.291 176.358 176.094 -0.044 0.000 1.615 177 V CA -0.225 62.012 62.300 -0.104 0.000 1.558 177 V CB -1.245 30.564 31.823 -0.024 0.000 1.529 177 V HN 0.286 nan 8.190 nan 0.000 0.505 178 S N 2.381 118.045 115.700 -0.060 0.000 4.466 178 S HA -0.139 4.331 4.470 -0.000 0.000 0.529 178 S C 1.022 175.630 174.600 0.014 0.000 1.031 178 S CA 1.096 59.280 58.200 -0.026 0.000 0.906 178 S CB 0.045 63.232 63.200 -0.022 0.000 1.279 178 S HN 1.084 nan 8.310 nan 0.000 0.417 179 T N 1.853 116.399 114.554 -0.013 0.000 2.850 179 T HA 0.891 5.241 4.350 -0.000 0.000 0.269 179 T C -0.108 174.575 174.700 -0.030 0.000 1.075 179 T CA -0.307 61.784 62.100 -0.014 0.000 0.987 179 T CB 1.224 70.066 68.868 -0.043 0.000 1.889 179 T HN 1.146 nan 8.240 nan 0.000 0.584 180 A N -0.202 122.584 122.820 -0.057 0.000 2.486 180 A HA 0.662 4.982 4.320 -0.000 0.000 0.300 180 A C 1.068 178.563 177.584 -0.149 0.000 1.048 180 A CA -0.698 51.285 52.037 -0.089 0.000 0.696 180 A CB 1.316 20.268 19.000 -0.079 0.000 1.278 180 A HN 0.688 nan 8.150 nan 0.000 0.405 181 V N 2.064 121.856 119.914 -0.203 0.000 2.277 181 V HA -0.295 3.825 4.120 -0.000 0.000 0.255 181 V C 2.535 178.365 176.094 -0.439 0.000 1.074 181 V CA 2.892 65.003 62.300 -0.314 0.000 1.058 181 V CB -0.751 30.830 31.823 -0.404 0.000 0.656 181 V HN 1.311 nan 8.190 nan 0.000 0.449 182 V N -0.929 118.709 119.914 -0.460 0.000 3.217 182 V HA -0.110 4.010 4.120 -0.000 0.000 0.264 182 V C 2.144 178.155 176.094 -0.139 0.000 1.135 182 V CA 2.018 64.090 62.300 -0.380 0.000 1.142 182 V CB -0.171 31.539 31.823 -0.189 0.000 0.754 182 V HN 0.607 nan 8.190 nan 0.000 0.484 183 E N 1.373 121.507 120.200 -0.110 0.000 2.095 183 E HA -0.224 4.126 4.350 -0.000 0.000 0.212 183 E C -0.077 176.518 176.600 -0.007 0.000 1.044 183 E CA 3.164 59.544 56.400 -0.034 0.000 0.857 183 E CB -1.283 28.381 29.700 -0.060 0.000 0.764 183 E HN 0.566 nan 8.360 nan 0.000 0.462 184 P HA -0.188 nan 4.420 nan 0.000 0.217 184 P C 0.700 178.146 177.300 0.244 0.000 1.148 184 P CA 1.407 64.531 63.100 0.039 0.000 0.828 184 P CB -0.147 31.572 31.700 0.031 0.000 0.783 185 Y N -0.543 119.825 120.300 0.113 0.000 2.089 185 Y HA -0.220 4.330 4.550 -0.000 0.000 0.282 185 Y C 2.391 178.304 175.900 0.022 0.000 1.139 185 Y CA 0.335 58.514 58.100 0.132 0.000 1.123 185 Y CB -0.673 37.833 38.460 0.076 0.000 0.980 185 Y HN -0.050 nan 8.280 nan 0.000 0.493 186 N N 0.240 119.094 118.700 0.257 0.000 2.061 186 N HA -0.183 4.557 4.740 -0.000 0.000 0.193 186 N C 1.840 177.378 175.510 0.047 0.000 1.030 186 N CA 1.841 55.002 53.050 0.184 0.000 0.856 186 N CB -0.642 38.001 38.487 0.260 0.000 1.023 186 N HN 0.270 nan 8.380 nan 0.000 0.424 187 S N 1.494 117.187 115.700 -0.012 0.000 2.353 187 S HA -0.081 4.389 4.470 -0.000 0.000 0.222 187 S C 2.061 176.473 174.600 -0.314 0.000 1.035 187 S CA 0.785 58.846 58.200 -0.232 0.000 1.025 187 S CB -0.311 62.686 63.200 -0.338 0.000 0.902 187 S HN 0.183 nan 8.310 nan 0.000 0.440 188 I N 1.946 122.382 120.570 -0.222 0.000 2.163 188 I HA -0.134 4.036 4.170 -0.000 0.000 0.243 188 I C 2.374 178.284 176.117 -0.346 0.000 1.085 188 I CA 1.092 62.201 61.300 -0.318 0.000 1.347 188 I CB -1.488 36.264 38.000 -0.413 0.000 1.044 188 I HN 0.260 nan 8.210 nan 0.000 0.408 189 L N -0.076 120.923 121.223 -0.372 0.000 1.971 189 L HA -0.305 4.035 4.340 -0.000 0.000 0.215 189 L C 2.705 179.255 176.870 -0.533 0.000 1.072 189 L CA 2.266 56.739 54.840 -0.611 0.000 0.758 189 L CB -0.671 40.845 42.059 -0.906 0.000 0.889 189 L HN 0.274 nan 8.230 nan 0.000 0.433 190 T N -2.026 112.355 114.554 -0.289 0.000 2.674 190 T HA -0.242 4.108 4.350 -0.000 0.000 0.265 190 T C 1.868 176.600 174.700 0.054 0.000 1.039 190 T CA 2.027 64.160 62.100 0.056 0.000 1.150 190 T CB -0.163 68.906 68.868 0.335 0.000 0.864 190 T HN 0.370 nan 8.240 nan 0.000 0.427 191 T N -0.015 114.548 114.554 0.015 0.000 2.946 191 T HA -0.202 4.148 4.350 -0.000 0.000 0.271 191 T C 1.637 176.318 174.700 -0.032 0.000 1.104 191 T CA 2.076 64.198 62.100 0.037 0.000 1.114 191 T CB -0.445 68.329 68.868 -0.157 0.000 0.867 191 T HN 0.658 nan 8.240 nan 0.000 0.513 192 H N 0.983 119.934 119.070 -0.197 0.000 2.266 192 H HA 0.041 4.597 4.556 -0.000 0.000 0.308 192 H C 2.386 177.636 175.328 -0.131 0.000 1.057 192 H CA 2.553 58.476 56.048 -0.208 0.000 1.330 192 H CB -0.809 28.789 29.762 -0.274 0.000 1.400 192 H HN 0.340 nan 8.280 nan 0.000 0.503 193 T N -1.414 112.825 114.554 -0.526 0.000 2.665 193 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 193 T C 2.124 176.710 174.700 -0.190 0.000 1.035 193 T CA 1.962 63.788 62.100 -0.458 0.000 1.151 193 T CB -1.074 67.660 68.868 -0.224 0.000 0.862 193 T HN 0.394 nan 8.240 nan 0.000 0.438 194 T N 1.376 115.902 114.554 -0.047 0.000 2.929 194 T HA 0.079 4.429 4.350 -0.000 0.000 0.271 194 T C 1.811 176.546 174.700 0.058 0.000 1.085 194 T CA 0.712 62.853 62.100 0.068 0.000 1.125 194 T CB -0.521 68.427 68.868 0.134 0.000 0.874 194 T HN 0.360 nan 8.240 nan 0.000 0.494 195 L N 1.520 122.744 121.223 0.001 0.000 2.056 195 L HA -0.063 4.277 4.340 -0.000 0.000 0.207 195 L C 2.244 179.070 176.870 -0.073 0.000 1.078 195 L CA 2.050 56.895 54.840 0.009 0.000 0.749 195 L CB -0.377 41.691 42.059 0.015 0.000 0.901 195 L HN 0.396 nan 8.230 nan 0.000 0.433 196 E N -2.443 117.641 120.200 -0.193 0.000 2.512 196 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 196 E C 0.950 177.388 176.600 -0.271 0.000 1.083 196 E CA 0.993 57.242 56.400 -0.252 0.000 0.873 196 E CB -0.300 29.211 29.700 -0.314 0.000 0.897 196 E HN 0.691 nan 8.360 nan 0.000 0.514 197 H N -1.166 117.885 119.070 -0.032 0.000 3.170 197 H HA 0.311 4.867 4.556 -0.000 0.000 0.264 197 H C -0.004 175.314 175.328 -0.015 0.000 1.113 197 H CA -0.383 55.651 56.048 -0.023 0.000 1.194 197 H CB 1.194 30.938 29.762 -0.030 0.000 1.553 197 H HN -0.024 nan 8.280 nan 0.000 0.538 198 S N -0.294 115.454 115.700 0.079 0.000 2.687 198 S HA 0.079 4.549 4.470 -0.000 0.000 0.283 198 S C 0.287 174.875 174.600 -0.020 0.000 1.170 198 S CA -0.493 57.725 58.200 0.029 0.000 1.008 198 S CB 1.358 64.567 63.200 0.016 0.000 1.026 198 S HN 0.256 nan 8.310 nan 0.000 0.541 199 D N 0.092 120.471 120.400 -0.034 0.000 2.394 199 D HA 0.196 4.836 4.640 -0.000 0.000 0.226 199 D C 0.127 176.361 176.300 -0.111 0.000 0.990 199 D CA 0.479 54.450 54.000 -0.048 0.000 0.902 199 D CB 0.522 41.314 40.800 -0.013 0.000 1.038 199 D HN 0.467 nan 8.370 nan 0.000 0.499 200 C N 0.057 119.259 119.300 -0.162 0.000 3.113 200 C HA 0.838 5.298 4.460 -0.000 0.000 0.376 200 C C -1.655 173.111 174.990 -0.372 0.000 1.077 200 C CA -0.611 58.234 59.018 -0.289 0.000 1.253 200 C CB 0.521 28.129 27.740 -0.219 0.000 1.637 200 C HN 0.189 nan 8.230 nan 0.000 0.535 201 A N 3.744 126.273 122.820 -0.486 0.000 2.435 201 A HA 0.888 5.208 4.320 -0.000 0.000 0.304 201 A C -1.322 176.020 177.584 -0.405 0.000 1.064 201 A CA -0.433 51.408 52.037 -0.327 0.000 0.727 201 A CB 0.951 19.965 19.000 0.023 0.000 1.284 201 A HN 0.907 nan 8.150 nan 0.000 0.415 202 F N 1.849 121.689 119.950 -0.183 0.000 2.332 202 F HA 0.425 4.952 4.527 -0.000 0.000 0.368 202 F C 0.518 176.265 175.800 -0.089 0.000 1.110 202 F CA -0.111 57.776 58.000 -0.190 0.000 1.087 202 F CB 1.516 40.191 39.000 -0.542 0.000 1.235 202 F HN 0.472 nan 8.300 nan 0.000 0.470 203 M N 3.348 123.038 119.600 0.149 0.000 2.235 203 M HA 0.440 4.920 4.480 -0.000 0.000 0.351 203 M C -0.945 175.374 176.300 0.030 0.000 1.178 203 M CA -0.364 54.948 55.300 0.021 0.000 1.143 203 M CB 1.173 33.735 32.600 -0.064 0.000 1.530 203 M HN 0.206 nan 8.290 nan 0.000 0.461 204 V N 2.945 122.870 119.914 0.019 0.000 2.447 204 V HA 0.183 4.303 4.120 -0.000 0.000 0.292 204 V C -0.680 175.458 176.094 0.074 0.000 1.021 204 V CA -0.949 61.385 62.300 0.056 0.000 0.850 204 V CB 1.660 33.546 31.823 0.104 0.000 1.005 204 V HN 0.694 nan 8.190 nan 0.000 0.426 205 D N 3.669 124.095 120.400 0.044 0.000 2.343 205 D HA 0.114 4.754 4.640 -0.000 0.000 0.255 205 D C 1.094 177.468 176.300 0.124 0.000 1.187 205 D CA 0.371 54.434 54.000 0.106 0.000 0.875 205 D CB 0.869 41.654 40.800 -0.026 0.000 1.136 205 D HN 0.534 nan 8.370 nan 0.000 0.469 206 N N 2.707 121.502 118.700 0.158 0.000 2.364 206 N HA -0.163 4.577 4.740 -0.000 0.000 0.183 206 N C 1.214 176.798 175.510 0.123 0.000 1.022 206 N CA 0.459 53.591 53.050 0.136 0.000 0.883 206 N CB 0.318 38.884 38.487 0.132 0.000 0.965 206 N HN 0.614 nan 8.380 nan 0.000 0.438 207 E N 0.747 121.005 120.200 0.096 0.000 2.107 207 E HA -0.052 4.298 4.350 -0.000 0.000 0.191 207 E C 1.882 178.562 176.600 0.134 0.000 0.982 207 E CA 0.666 57.106 56.400 0.067 0.000 0.809 207 E CB 0.065 29.783 29.700 0.031 0.000 0.756 207 E HN 0.291 nan 8.360 nan 0.000 0.459 208 A N 0.997 123.874 122.820 0.095 0.000 1.930 208 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 208 A C 2.013 179.654 177.584 0.095 0.000 1.175 208 A CA 0.959 53.042 52.037 0.076 0.000 0.627 208 A CB -0.307 18.713 19.000 0.033 0.000 0.815 208 A HN 0.291 nan 8.150 nan 0.000 0.443 209 I N -1.528 119.108 120.570 0.110 0.000 2.406 209 I HA -0.135 4.035 4.170 -0.000 0.000 0.249 209 I C 2.342 178.533 176.117 0.123 0.000 1.122 209 I CA 1.094 62.453 61.300 0.098 0.000 1.431 209 I CB -1.608 36.448 38.000 0.095 0.000 1.087 209 I HN 0.584 nan 8.210 nan 0.000 0.424 210 Y N 2.304 122.617 120.300 0.022 0.000 2.181 210 Y HA -0.272 4.278 4.550 -0.000 0.000 0.288 210 Y C 2.144 178.048 175.900 0.007 0.000 1.146 210 Y CA 1.904 60.010 58.100 0.010 0.000 1.164 210 Y CB -0.463 38.001 38.460 0.007 0.000 0.982 210 Y HN 0.147 nan 8.280 nan 0.000 0.515 211 D N 0.256 120.791 120.400 0.226 0.000 2.104 211 D HA -0.198 4.442 4.640 -0.000 0.000 0.194 211 D C 2.053 178.358 176.300 0.008 0.000 0.994 211 D CA 2.105 56.170 54.000 0.109 0.000 0.830 211 D CB -0.254 40.627 40.800 0.134 0.000 0.959 211 D HN 0.449 nan 8.370 nan 0.000 0.452 212 I N -0.213 120.371 120.570 0.022 0.000 2.394 212 I HA -0.234 3.937 4.170 -0.000 0.000 0.251 212 I C 2.005 178.108 176.117 -0.024 0.000 1.136 212 I CA 0.581 61.885 61.300 0.008 0.000 1.425 212 I CB 0.050 38.067 38.000 0.029 0.000 1.079 212 I HN 0.159 nan 8.210 nan 0.000 0.425 213 C N 0.225 119.492 119.300 -0.054 0.000 2.437 213 C HA -0.046 4.414 4.460 -0.000 0.000 0.283 213 C C 2.757 177.674 174.990 -0.122 0.000 1.424 213 C CA 0.640 59.608 59.018 -0.083 0.000 1.782 213 C CB -1.353 26.328 27.740 -0.100 0.000 1.833 213 C HN 0.414 nan 8.230 nan 0.000 0.532 214 R N 0.034 120.441 120.500 -0.154 0.000 2.051 214 R HA 0.053 4.393 4.340 -0.000 0.000 0.218 214 R C 2.411 178.663 176.300 -0.079 0.000 1.188 214 R CA 0.441 56.448 56.100 -0.155 0.000 0.992 214 R CB -0.393 29.775 30.300 -0.220 0.000 0.883 214 R HN 0.321 nan 8.270 nan 0.000 0.444 215 R N 0.581 121.050 120.500 -0.052 0.000 2.159 215 R HA -0.059 4.281 4.340 -0.000 0.000 0.237 215 R C 1.416 177.705 176.300 -0.018 0.000 1.131 215 R CA 1.460 57.545 56.100 -0.024 0.000 0.982 215 R CB 0.102 30.398 30.300 -0.007 0.000 0.868 215 R HN 0.299 nan 8.270 nan 0.000 0.453 216 N N -1.010 117.678 118.700 -0.020 0.000 2.607 216 N HA -0.042 4.698 4.740 -0.000 0.000 0.207 216 N C 1.287 176.789 175.510 -0.013 0.000 1.040 216 N CA 0.389 53.434 53.050 -0.008 0.000 0.947 216 N CB -0.003 38.488 38.487 0.006 0.000 1.293 216 N HN 0.034 nan 8.380 nan 0.000 0.446 217 L N 1.668 122.877 121.223 -0.023 0.000 2.313 217 L HA 0.033 4.373 4.340 -0.000 0.000 0.214 217 L C -0.090 176.761 176.870 -0.031 0.000 1.119 217 L CA 1.004 55.830 54.840 -0.024 0.000 0.809 217 L CB -0.796 41.245 42.059 -0.029 0.000 0.933 217 L HN 0.219 nan 8.230 nan 0.000 0.449 218 D N -0.076 120.298 120.400 -0.043 0.000 2.737 218 D HA -0.216 4.425 4.640 -0.000 0.000 0.243 218 D C -0.388 175.879 176.300 -0.055 0.000 1.109 218 D CA 0.382 54.354 54.000 -0.046 0.000 0.702 218 D CB -1.113 39.669 40.800 -0.030 0.000 1.068 218 D HN 0.243 nan 8.370 nan 0.000 0.432 219 I N 0.487 121.010 120.570 -0.078 0.000 2.339 219 I HA 0.178 4.348 4.170 -0.000 0.000 0.290 219 I C 1.671 177.722 176.117 -0.109 0.000 0.994 219 I CA -0.851 60.400 61.300 -0.081 0.000 1.191 219 I CB 1.567 39.519 38.000 -0.079 0.000 1.343 219 I HN -0.016 nan 8.210 nan 0.000 0.458 220 E N 4.600 124.753 120.200 -0.078 0.000 2.077 220 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 220 E C 1.068 177.619 176.600 -0.082 0.000 0.989 220 E CA 1.112 57.468 56.400 -0.074 0.000 0.800 220 E CB 0.227 29.902 29.700 -0.041 0.000 0.746 220 E HN 0.682 nan 8.360 nan 0.000 0.452 221 R N 2.032 122.492 120.500 -0.067 0.000 2.477 221 R HA 0.247 4.587 4.340 -0.000 0.000 0.285 221 R C -2.662 173.599 176.300 -0.064 0.000 1.415 221 R CA -1.551 54.519 56.100 -0.050 0.000 1.446 221 R CB -0.344 29.941 30.300 -0.025 0.000 1.110 221 R HN 0.017 nan 8.270 nan 0.000 0.590 222 P HA 0.100 nan 4.420 nan 0.000 0.265 222 P C -0.336 176.934 177.300 -0.050 0.000 1.222 222 P CA 0.406 63.457 63.100 -0.082 0.000 0.767 222 P CB 0.933 32.551 31.700 -0.136 0.000 0.801 223 T N 2.544 117.073 114.554 -0.041 0.000 2.788 223 T HA 0.118 4.468 4.350 -0.000 0.000 0.280 223 T C 1.191 175.890 174.700 -0.002 0.000 0.984 223 T CA -0.137 61.934 62.100 -0.048 0.000 0.972 223 T CB 0.484 69.352 68.868 0.000 0.000 1.039 223 T HN 0.310 nan 8.240 nan 0.000 0.530 224 Y N 0.319 120.632 120.300 0.023 0.000 2.133 224 Y HA -0.180 4.370 4.550 -0.000 0.000 0.287 224 Y C 3.276 179.180 175.900 0.007 0.000 1.134 224 Y CA 1.377 59.489 58.100 0.019 0.000 1.133 224 Y CB -0.295 38.174 38.460 0.014 0.000 0.987 224 Y HN 0.751 nan 8.280 nan 0.000 0.502 225 T N -0.484 114.185 114.554 0.191 0.000 2.869 225 T HA -0.237 4.113 4.350 -0.000 0.000 0.270 225 T C 1.342 176.078 174.700 0.060 0.000 1.082 225 T CA 2.174 64.331 62.100 0.096 0.000 1.123 225 T CB -0.550 68.361 68.868 0.071 0.000 0.856 225 T HN 0.427 nan 8.240 nan 0.000 0.499 226 N N -0.914 117.820 118.700 0.056 0.000 2.290 226 N HA 0.092 4.832 4.740 -0.000 0.000 0.179 226 N C 1.473 177.000 175.510 0.028 0.000 1.016 226 N CA 0.534 53.599 53.050 0.025 0.000 0.871 226 N CB 0.015 38.504 38.487 0.005 0.000 0.987 226 N HN 0.184 nan 8.380 nan 0.000 0.431 227 L N 1.377 122.639 121.223 0.065 0.000 2.068 227 L HA -0.020 4.320 4.340 -0.000 0.000 0.204 227 L C 1.808 178.708 176.870 0.049 0.000 1.076 227 L CA 1.333 56.217 54.840 0.074 0.000 0.753 227 L CB -1.077 41.069 42.059 0.146 0.000 0.910 227 L HN 0.214 nan 8.230 nan 0.000 0.439 228 N N -0.100 118.635 118.700 0.059 0.000 2.094 228 N HA -0.208 4.532 4.740 -0.000 0.000 0.191 228 N C 1.951 177.442 175.510 -0.032 0.000 1.023 228 N CA 1.132 54.187 53.050 0.008 0.000 0.857 228 N CB -0.232 38.254 38.487 -0.001 0.000 1.013 228 N HN 0.326 nan 8.380 nan 0.000 0.426 229 R N 0.309 120.796 120.500 -0.022 0.000 2.103 229 R HA -0.134 4.206 4.340 -0.000 0.000 0.242 229 R C 2.074 178.325 176.300 -0.082 0.000 1.142 229 R CA 0.964 57.037 56.100 -0.045 0.000 0.960 229 R CB -0.425 29.862 30.300 -0.023 0.000 0.858 229 R HN 0.148 nan 8.270 nan 0.000 0.439 230 L N 1.238 122.416 121.223 -0.075 0.000 2.027 230 L HA -0.101 4.239 4.340 -0.000 0.000 0.206 230 L C 1.994 178.774 176.870 -0.151 0.000 1.074 230 L CA 1.555 56.323 54.840 -0.120 0.000 0.745 230 L CB -0.614 41.404 42.059 -0.069 0.000 0.898 230 L HN 0.146 nan 8.230 nan 0.000 0.433 231 I N -0.485 120.036 120.570 -0.081 0.000 2.208 231 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 231 I C 2.542 178.593 176.117 -0.111 0.000 1.097 231 I CA 1.196 62.461 61.300 -0.059 0.000 1.363 231 I CB -1.288 36.711 38.000 -0.001 0.000 1.051 231 I HN 0.393 nan 8.210 nan 0.000 0.413 232 G N 0.341 109.057 108.800 -0.141 0.000 2.599 232 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.219 232 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.219 232 G C 1.543 176.326 174.900 -0.194 0.000 1.193 232 G CA 1.255 46.239 45.100 -0.195 0.000 0.778 232 G HN 0.319 nan 8.290 nan 0.000 0.589 233 Q N -0.103 119.564 119.800 -0.223 0.000 2.077 233 Q HA -0.073 4.267 4.340 -0.000 0.000 0.206 233 Q C 2.533 178.359 176.000 -0.290 0.000 0.989 233 Q CA 1.476 57.102 55.803 -0.295 0.000 0.853 233 Q CB -0.334 28.097 28.738 -0.512 0.000 0.907 233 Q HN 0.567 nan 8.270 nan 0.000 0.418 234 I N -1.057 119.333 120.570 -0.299 0.000 2.163 234 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 234 I C 2.006 178.136 176.117 0.021 0.000 1.085 234 I CA 0.893 62.131 61.300 -0.104 0.000 1.347 234 I CB -0.319 37.656 38.000 -0.042 0.000 1.044 234 I HN 0.063 nan 8.210 nan 0.000 0.408 235 V N -0.312 119.607 119.914 0.008 0.000 2.295 235 V HA -0.314 3.806 4.120 -0.000 0.000 0.246 235 V C 2.591 178.719 176.094 0.057 0.000 1.049 235 V CA 2.113 64.433 62.300 0.033 0.000 1.024 235 V CB -0.929 30.799 31.823 -0.159 0.000 0.648 235 V HN 0.587 nan 8.190 nan 0.000 0.447 236 S N 0.397 116.111 115.700 0.023 0.000 2.359 236 S HA -0.258 4.212 4.470 -0.000 0.000 0.223 236 S C 2.154 176.842 174.600 0.147 0.000 1.039 236 S CA 2.400 60.677 58.200 0.128 0.000 1.042 236 S CB -0.502 62.752 63.200 0.089 0.000 0.915 236 S HN 0.614 nan 8.310 nan 0.000 0.439 237 S N 1.273 117.057 115.700 0.139 0.000 2.419 237 S HA 0.027 4.497 4.470 -0.000 0.000 0.233 237 S C 1.742 176.443 174.600 0.169 0.000 1.016 237 S CA 1.385 59.685 58.200 0.167 0.000 0.974 237 S CB -0.490 62.848 63.200 0.230 0.000 0.786 237 S HN 0.552 nan 8.310 nan 0.000 0.492 238 I N 1.731 122.401 120.570 0.167 0.000 2.141 238 I HA -0.190 3.980 4.170 -0.000 0.000 0.236 238 I C 2.981 179.279 176.117 0.303 0.000 1.071 238 I CA 1.614 63.049 61.300 0.225 0.000 1.345 238 I CB -1.073 37.009 38.000 0.137 0.000 1.066 238 I HN 0.417 nan 8.210 nan 0.000 0.406 239 T N -0.071 114.610 114.554 0.210 0.000 2.569 239 T HA -0.213 4.137 4.350 -0.000 0.000 0.263 239 T C 1.979 176.748 174.700 0.115 0.000 1.074 239 T CA 1.322 63.489 62.100 0.111 0.000 1.176 239 T CB -0.958 67.876 68.868 -0.056 0.000 0.863 239 T HN 0.409 nan 8.240 nan 0.000 0.410 240 A N 2.497 125.377 122.820 0.100 0.000 1.779 240 A HA -0.387 3.933 4.320 -0.000 0.000 0.327 240 A C 2.571 180.334 177.584 0.297 0.000 4.078 240 A CA 4.673 56.861 52.037 0.253 0.000 1.006 240 A CB -2.123 17.034 19.000 0.261 0.000 0.657 240 A HN 1.456 nan 8.150 nan 0.000 0.491 241 S N 0.024 115.876 115.700 0.253 0.000 2.429 241 S HA -0.281 4.189 4.470 -0.000 0.000 0.251 241 S C 1.264 175.987 174.600 0.205 0.000 1.104 241 S CA 2.412 60.750 58.200 0.230 0.000 1.130 241 S CB -1.158 62.201 63.200 0.266 0.000 1.000 241 S HN 1.608 nan 8.310 nan 0.000 0.449 242 L N -0.330 120.998 121.223 0.175 0.000 2.728 242 L HA 0.496 4.836 4.340 -0.000 0.000 0.235 242 L C 1.379 178.314 176.870 0.109 0.000 1.197 242 L CA 0.004 54.923 54.840 0.131 0.000 0.992 242 L CB -0.733 41.387 42.059 0.101 0.000 1.263 242 L HN 0.167 nan 8.230 nan 0.000 0.484 243 R N -1.990 118.536 120.500 0.043 0.000 2.469 243 R HA 0.326 4.666 4.340 -0.000 0.000 0.250 243 R C 0.923 177.066 176.300 -0.262 0.000 0.909 243 R CA 0.267 56.270 56.100 -0.162 0.000 1.050 243 R CB -0.012 30.012 30.300 -0.460 0.000 1.256 243 R HN 0.323 nan 8.270 nan 0.000 0.550 244 F N 1.114 121.113 119.950 0.083 0.000 2.653 244 F HA 0.067 4.594 4.527 -0.000 0.000 0.288 244 F C 1.295 177.129 175.800 0.056 0.000 1.121 244 F CA 0.604 58.653 58.000 0.083 0.000 1.384 244 F CB 0.621 39.650 39.000 0.049 0.000 1.115 244 F HN -0.015 nan 8.300 nan 0.000 0.599 245 D N -1.912 118.606 120.400 0.197 0.000 2.680 245 D HA 0.113 4.753 4.640 -0.000 0.000 0.295 245 D C 1.576 177.947 176.300 0.118 0.000 1.097 245 D CA 0.336 54.427 54.000 0.151 0.000 0.952 245 D CB -1.193 39.659 40.800 0.085 0.000 1.491 245 D HN -0.056 nan 8.370 nan 0.000 0.486 246 G N 0.308 109.159 108.800 0.085 0.000 2.662 246 G HA2 0.399 4.359 3.960 -0.000 0.000 0.285 246 G HA3 0.399 4.359 3.960 -0.000 0.000 0.285 246 G C 0.263 175.175 174.900 0.020 0.000 0.672 246 G CA 0.497 45.629 45.100 0.053 0.000 2.098 246 G HN 0.554 nan 8.290 nan 0.000 0.538 247 A N 1.083 123.918 122.820 0.024 0.000 1.893 247 A HA 0.813 5.133 4.320 -0.000 0.000 0.175 247 A C 1.776 179.367 177.584 0.012 0.000 1.480 247 A CA 0.734 52.757 52.037 -0.024 0.000 2.061 247 A CB -0.657 18.312 19.000 -0.051 0.000 2.260 247 A HN 1.346 nan 8.150 nan 0.000 1.021 248 L N -0.072 121.180 121.223 0.049 0.000 2.080 248 L HA 0.375 4.715 4.340 -0.000 0.000 0.209 248 L C 0.653 177.593 176.870 0.115 0.000 1.178 248 L CA 1.482 56.368 54.840 0.077 0.000 1.430 248 L CB -1.789 40.326 42.059 0.093 0.000 1.236 248 L HN 0.543 nan 8.230 nan 0.000 0.736 249 N N 0.944 119.756 118.700 0.187 0.000 3.124 249 N HA 0.421 5.161 4.740 -0.000 0.000 0.284 249 N C -0.447 175.255 175.510 0.320 0.000 1.209 249 N CA -0.107 53.111 53.050 0.280 0.000 1.149 249 N CB 0.035 38.750 38.487 0.381 0.000 1.434 249 N HN 0.465 nan 8.380 nan 0.000 0.529 250 V N 0.827 120.853 119.914 0.188 0.000 2.572 250 V HA 0.088 4.208 4.120 -0.000 0.000 0.291 250 V C 0.758 176.921 176.094 0.115 0.000 1.039 250 V CA -0.664 61.717 62.300 0.135 0.000 1.055 250 V CB 0.557 32.433 31.823 0.089 0.000 0.969 250 V HN 0.792 nan 8.190 nan 0.000 0.482 251 D N 3.187 123.632 120.400 0.075 0.000 2.746 251 D HA -0.262 4.378 4.640 -0.000 0.000 0.236 251 D C 0.106 176.424 176.300 0.029 0.000 1.129 251 D CA 1.110 55.130 54.000 0.033 0.000 0.691 251 D CB -1.593 39.219 40.800 0.019 0.000 1.077 251 D HN 0.679 nan 8.370 nan 0.000 0.432 252 L N -2.249 118.983 121.223 0.016 0.000 5.352 252 L HA -0.471 3.869 4.340 -0.000 0.000 0.053 252 L C 2.366 179.317 176.870 0.135 0.000 2.872 252 L CA 2.452 57.297 54.840 0.010 0.000 1.575 252 L CB -2.275 39.748 42.059 -0.060 0.000 2.871 252 L HN 0.478 nan 8.230 nan 0.000 0.934 253 T N -0.781 113.822 114.554 0.082 0.000 2.733 253 T HA -0.430 3.920 4.350 -0.000 0.000 0.146 253 T C 1.145 175.919 174.700 0.123 0.000 1.745 253 T CA 2.608 64.757 62.100 0.080 0.000 0.909 253 T CB -0.907 67.987 68.868 0.042 0.000 0.877 253 T HN 0.649 nan 8.240 nan 0.000 0.458 254 E N 0.250 120.522 120.200 0.121 0.000 2.455 254 E HA -0.029 4.321 4.350 -0.000 0.000 0.202 254 E C 1.644 178.344 176.600 0.167 0.000 1.045 254 E CA 0.542 57.014 56.400 0.118 0.000 0.872 254 E CB -0.262 29.496 29.700 0.096 0.000 0.792 254 E HN 0.589 nan 8.360 nan 0.000 0.542 255 F N 1.634 121.618 119.950 0.056 0.000 2.104 255 F HA -0.157 4.370 4.527 -0.000 0.000 0.288 255 F C 2.428 178.272 175.800 0.074 0.000 1.107 255 F CA 1.363 59.413 58.000 0.084 0.000 1.208 255 F CB 0.064 39.126 39.000 0.103 0.000 1.033 255 F HN -0.090 nan 8.300 nan 0.000 0.478 256 Q N -1.155 118.824 119.800 0.298 0.000 2.046 256 Q HA -0.180 4.160 4.340 -0.000 0.000 0.200 256 Q C 2.000 178.029 176.000 0.047 0.000 0.975 256 Q CA 1.867 57.752 55.803 0.137 0.000 0.836 256 Q CB -1.264 27.548 28.738 0.124 0.000 0.896 256 Q HN 0.269 nan 8.270 nan 0.000 0.428 257 T N 0.925 115.510 114.554 0.051 0.000 2.882 257 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 257 T C 1.250 175.955 174.700 0.007 0.000 1.104 257 T CA 1.575 63.686 62.100 0.017 0.000 1.118 257 T CB -0.345 68.538 68.868 0.025 0.000 0.831 257 T HN 0.384 nan 8.240 nan 0.000 0.529 258 N N -1.017 117.686 118.700 0.006 0.000 2.415 258 N HA 0.234 4.974 4.740 -0.000 0.000 0.174 258 N C 1.430 176.936 175.510 -0.007 0.000 1.048 258 N CA 0.288 53.332 53.050 -0.010 0.000 0.895 258 N CB 0.311 38.775 38.487 -0.037 0.000 1.036 258 N HN 0.303 nan 8.380 nan 0.000 0.449 259 L N 0.119 121.334 121.223 -0.013 0.000 2.445 259 L HA 0.230 4.570 4.340 -0.000 0.000 0.207 259 L C 0.370 177.251 176.870 0.018 0.000 1.053 259 L CA 0.003 54.847 54.840 0.006 0.000 0.841 259 L CB 0.284 42.335 42.059 -0.013 0.000 1.074 259 L HN -0.041 nan 8.230 nan 0.000 0.479 260 V N -1.525 118.386 119.914 -0.005 0.000 2.364 260 V HA 0.356 4.476 4.120 -0.000 0.000 0.272 260 V C -1.718 174.331 176.094 -0.074 0.000 1.036 260 V CA -1.141 61.148 62.300 -0.019 0.000 0.880 260 V CB 0.821 32.640 31.823 -0.005 0.000 0.991 260 V HN 0.025 nan 8.190 nan 0.000 0.460 261 P HA 0.225 nan 4.420 nan 0.000 0.245 261 P C -0.422 176.514 177.300 -0.607 0.000 1.199 261 P CA 0.531 63.460 63.100 -0.284 0.000 0.807 261 P CB 0.245 31.877 31.700 -0.113 0.000 1.002 262 Y N -0.002 120.151 120.300 -0.245 0.000 2.462 262 Y HA 0.325 4.875 4.550 -0.000 0.000 0.346 262 Y C -1.396 174.505 175.900 0.001 0.000 0.976 262 Y CA -2.277 55.723 58.100 -0.167 0.000 1.044 262 Y CB 1.581 39.903 38.460 -0.230 0.000 1.230 262 Y HN -0.282 nan 8.280 nan 0.000 0.455 263 P HA -0.200 nan 4.420 nan 0.000 0.218 263 P C 0.302 177.658 177.300 0.092 0.000 1.146 263 P CA 1.227 64.370 63.100 0.071 0.000 0.813 263 P CB 0.291 32.015 31.700 0.041 0.000 0.778 264 R N 0.886 121.491 120.500 0.176 0.000 4.828 264 R HA 0.063 4.403 4.340 -0.000 0.000 0.167 264 R C 1.437 177.649 176.300 -0.147 0.000 2.071 264 R CA -0.335 55.781 56.100 0.027 0.000 1.630 264 R CB -1.860 28.430 30.300 -0.015 0.000 1.359 264 R HN 0.303 nan 8.270 nan 0.000 0.834 265 I N 0.713 121.213 120.570 -0.117 0.000 3.102 265 I HA -0.433 3.737 4.170 -0.000 0.000 0.273 265 I C 0.094 175.862 176.117 -0.581 0.000 0.714 265 I CA 1.069 62.173 61.300 -0.326 0.000 1.525 265 I CB -0.752 37.020 38.000 -0.380 0.000 1.119 265 I HN 0.660 nan 8.210 nan 0.000 0.439 266 H N 0.388 119.235 119.070 -0.371 0.000 3.058 266 H HA -0.189 4.367 4.556 -0.000 0.000 0.278 266 H C -0.145 174.981 175.328 -0.337 0.000 0.865 266 H CA 1.452 57.393 56.048 -0.180 0.000 1.371 266 H CB -0.257 29.528 29.762 0.039 0.000 1.174 266 H HN 0.135 nan 8.280 nan 0.000 0.577 267 F N 4.048 124.157 119.950 0.265 0.000 2.332 267 F HA 0.298 4.825 4.527 -0.000 0.000 0.368 267 F C -1.918 173.946 175.800 0.107 0.000 1.110 267 F CA -2.689 55.389 58.000 0.129 0.000 1.087 267 F CB 0.952 40.091 39.000 0.231 0.000 1.235 267 F HN 0.238 nan 8.300 nan 0.000 0.470 268 P HA 0.117 nan 4.420 nan 0.000 0.277 268 P C -0.726 176.699 177.300 0.209 0.000 1.240 268 P CA -0.477 62.718 63.100 0.159 0.000 0.798 268 P CB 1.061 32.834 31.700 0.121 0.000 0.979 269 L N 2.357 123.680 121.223 0.166 0.000 2.264 269 L HA 0.592 4.932 4.340 -0.000 0.000 0.289 269 L C -0.437 176.513 176.870 0.133 0.000 1.044 269 L CA -0.480 54.428 54.840 0.114 0.000 0.807 269 L CB 0.338 42.427 42.059 0.051 0.000 1.192 269 L HN 0.390 nan 8.230 nan 0.000 0.425 270 A N 3.827 126.721 122.820 0.124 0.000 2.301 270 A HA 0.746 5.066 4.320 -0.000 0.000 0.312 270 A C -0.292 177.322 177.584 0.051 0.000 1.182 270 A CA -0.353 51.737 52.037 0.090 0.000 0.826 270 A CB 0.704 19.751 19.000 0.079 0.000 1.134 270 A HN 0.759 nan 8.150 nan 0.000 0.501 271 T N 1.864 116.433 114.554 0.025 0.000 2.906 271 T HA 0.366 4.716 4.350 -0.000 0.000 0.302 271 T C -1.012 173.700 174.700 0.020 0.000 1.002 271 T CA -0.160 61.942 62.100 0.002 0.000 0.988 271 T CB 0.392 69.212 68.868 -0.081 0.000 0.972 271 T HN 0.479 nan 8.240 nan 0.000 0.447 272 Y N 3.051 123.317 120.300 -0.058 0.000 2.309 272 Y HA 0.553 5.103 4.550 -0.000 0.000 0.327 272 Y C 1.147 177.003 175.900 -0.073 0.000 1.172 272 Y CA -0.276 57.787 58.100 -0.062 0.000 1.280 272 Y CB 0.612 39.051 38.460 -0.035 0.000 1.234 272 Y HN 0.860 nan 8.280 nan 0.000 0.512 273 A N 6.222 128.585 122.820 -0.761 0.000 2.728 273 A HA 0.034 4.354 4.320 -0.000 0.000 0.179 273 A C -1.968 175.439 177.584 -0.294 0.000 1.066 273 A CA 0.645 52.357 52.037 -0.542 0.000 0.950 273 A CB -1.775 16.850 19.000 -0.625 0.000 0.840 273 A HN 0.641 nan 8.150 nan 0.000 0.565 274 P HA 0.486 nan 4.420 nan 0.000 0.303 274 P C -1.453 175.886 177.300 0.065 0.000 1.370 274 P CA -0.293 62.770 63.100 -0.061 0.000 0.854 274 P CB 1.385 33.051 31.700 -0.056 0.000 0.946 275 V N 5.474 125.450 119.914 0.104 0.000 2.328 275 V HA 0.499 4.619 4.120 -0.000 0.000 0.278 275 V C 0.152 176.286 176.094 0.066 0.000 1.021 275 V CA -0.491 61.890 62.300 0.134 0.000 0.838 275 V CB 1.020 32.919 31.823 0.127 0.000 0.999 275 V HN 0.433 nan 8.190 nan 0.000 0.447 276 I N 4.462 125.066 120.570 0.056 0.000 2.610 276 I HA 0.503 4.673 4.170 -0.000 0.000 0.289 276 I C 0.362 176.494 176.117 0.024 0.000 1.163 276 I CA 0.005 61.323 61.300 0.031 0.000 1.044 276 I CB 2.510 40.524 38.000 0.023 0.000 1.251 276 I HN 0.713 nan 8.210 nan 0.000 0.424 277 S N 6.036 121.744 115.700 0.014 0.000 2.560 277 S HA 0.693 5.163 4.470 -0.000 0.000 0.284 277 S C 0.554 175.159 174.600 0.008 0.000 1.327 277 S CA -0.288 57.917 58.200 0.008 0.000 1.055 277 S CB 0.844 64.044 63.200 0.000 0.000 0.868 277 S HN 0.930 nan 8.310 nan 0.000 0.506 278 A N 2.543 125.368 122.820 0.008 0.000 2.262 278 A HA 0.635 4.955 4.320 -0.000 0.000 0.273 278 A C 0.987 178.574 177.584 0.004 0.000 1.202 278 A CA 0.356 52.398 52.037 0.008 0.000 0.811 278 A CB -1.380 17.625 19.000 0.009 0.000 1.159 278 A HN 2.296 nan 8.150 nan 0.000 0.505 286 L N 2.441 123.665 121.223 0.002 0.000 2.367 286 L HA 0.531 4.871 4.340 -0.000 0.000 0.275 286 L C 1.040 177.913 176.870 0.004 0.000 1.129 286 L CA -0.010 54.830 54.840 0.001 0.000 0.839 286 L CB 1.653 43.709 42.059 -0.005 0.000 1.133 286 L HN 0.818 nan 8.230 nan 0.000 0.453 287 S N 1.783 117.487 115.700 0.006 0.000 2.563 287 S HA 0.073 4.543 4.470 -0.000 0.000 0.284 287 S C 1.549 176.163 174.600 0.023 0.000 1.331 287 S CA -0.822 57.384 58.200 0.011 0.000 1.047 287 S CB 0.839 64.044 63.200 0.008 0.000 0.859 287 S HN 0.404 nan 8.310 nan 0.000 0.514 288 V N 1.426 121.359 119.914 0.031 0.000 2.392 288 V HA -0.226 3.894 4.120 -0.000 0.000 0.249 288 V C 2.661 178.801 176.094 0.076 0.000 1.059 288 V CA 2.047 64.386 62.300 0.065 0.000 1.051 288 V CB -1.963 29.880 31.823 0.034 0.000 0.658 288 V HN 1.012 nan 8.190 nan 0.000 0.455 289 A N -0.553 122.292 122.820 0.041 0.000 1.969 289 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 289 A C 2.277 179.885 177.584 0.041 0.000 1.169 289 A CA 1.602 53.662 52.037 0.038 0.000 0.635 289 A CB -0.401 18.608 19.000 0.016 0.000 0.810 289 A HN 0.596 nan 8.150 nan 0.000 0.445 290 E N -0.099 120.118 120.200 0.029 0.000 2.046 290 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 290 E C 2.000 178.608 176.600 0.012 0.000 0.982 290 E CA 1.425 57.838 56.400 0.020 0.000 0.800 290 E CB -0.291 29.416 29.700 0.011 0.000 0.756 290 E HN 0.851 nan 8.360 nan 0.000 0.449 291 I N -0.737 119.832 120.570 -0.001 0.000 2.394 291 I HA -0.147 4.023 4.170 -0.000 0.000 0.251 291 I C 2.155 178.231 176.117 -0.068 0.000 1.136 291 I CA 1.041 62.311 61.300 -0.050 0.000 1.425 291 I CB -0.689 37.261 38.000 -0.084 0.000 1.079 291 I HN -0.109 nan 8.210 nan 0.000 0.425 292 T N 1.168 115.720 114.554 -0.003 0.000 2.777 292 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 292 T C 1.835 176.589 174.700 0.091 0.000 1.040 292 T CA 1.651 63.767 62.100 0.027 0.000 1.141 292 T CB -0.461 68.488 68.868 0.136 0.000 0.868 292 T HN 0.332 nan 8.240 nan 0.000 0.444 293 N N 1.307 120.064 118.700 0.095 0.000 2.289 293 N HA 0.011 4.751 4.740 -0.000 0.000 0.184 293 N C 1.734 177.303 175.510 0.098 0.000 1.016 293 N CA 1.066 54.190 53.050 0.122 0.000 0.872 293 N CB -0.299 38.231 38.487 0.071 0.000 0.973 293 N HN 0.451 nan 8.380 nan 0.000 0.433 294 A N -1.113 121.722 122.820 0.025 0.000 2.208 294 A HA 0.029 4.349 4.320 -0.000 0.000 0.209 294 A C 2.346 179.898 177.584 -0.054 0.000 1.161 294 A CA 0.213 52.246 52.037 -0.005 0.000 0.782 294 A CB -0.459 18.524 19.000 -0.028 0.000 0.816 294 A HN 0.392 nan 8.150 nan 0.000 0.477 295 C N -1.786 117.438 119.300 -0.126 0.000 2.495 295 C HA 0.202 4.662 4.460 -0.000 0.000 0.275 295 C C 0.688 175.399 174.990 -0.465 0.000 1.392 295 C CA 0.145 58.963 59.018 -0.333 0.000 1.766 295 C CB -1.317 26.119 27.740 -0.507 0.000 1.933 295 C HN 0.574 nan 8.230 nan 0.000 0.519 296 F N 1.271 121.238 119.950 0.028 0.000 2.578 296 F HA 0.382 4.909 4.527 -0.000 0.000 0.314 296 F C 0.161 175.991 175.800 0.050 0.000 1.225 296 F CA -0.048 57.986 58.000 0.056 0.000 1.215 296 F CB 0.058 39.086 39.000 0.045 0.000 1.448 296 F HN 0.041 nan 8.300 nan 0.000 0.548 297 E N 2.228 122.503 120.200 0.125 0.000 2.294 297 E HA 0.314 4.664 4.350 -0.000 0.000 0.272 297 E C -2.217 174.419 176.600 0.059 0.000 0.896 297 E CA -2.311 54.142 56.400 0.089 0.000 0.802 297 E CB 1.748 31.482 29.700 0.056 0.000 1.267 297 E HN -0.073 nan 8.360 nan 0.000 0.406 298 P HA -0.194 nan 4.420 nan 0.000 0.215 298 P C 0.919 178.233 177.300 0.024 0.000 1.153 298 P CA 1.544 64.668 63.100 0.039 0.000 0.853 298 P CB 0.133 31.854 31.700 0.034 0.000 0.788 299 A N -0.640 122.195 122.820 0.026 0.000 2.234 299 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 299 A C 1.870 179.467 177.584 0.023 0.000 1.167 299 A CA 1.259 53.309 52.037 0.023 0.000 0.698 299 A CB -1.009 18.004 19.000 0.023 0.000 0.779 299 A HN 0.170 nan 8.150 nan 0.000 0.475 300 N N -0.752 117.960 118.700 0.021 0.000 2.238 300 N HA 0.125 4.865 4.740 -0.000 0.000 0.235 300 N C 0.366 175.889 175.510 0.022 0.000 1.209 300 N CA 0.006 53.070 53.050 0.022 0.000 0.879 300 N CB 0.382 38.874 38.487 0.010 0.000 1.136 300 N HN 0.639 nan 8.380 nan 0.000 0.517 301 Q N -0.481 119.328 119.800 0.016 0.000 2.319 301 Q HA 0.269 4.609 4.340 -0.000 0.000 0.173 301 Q C 1.022 177.034 176.000 0.020 0.000 1.112 301 Q CA 0.191 56.001 55.803 0.011 0.000 1.144 301 Q CB 0.662 29.397 28.738 -0.005 0.000 1.765 301 Q HN 0.059 nan 8.270 nan 0.000 0.594 302 M N -0.347 119.257 119.600 0.008 0.000 2.231 302 M HA 0.245 4.725 4.480 -0.000 0.000 0.347 302 M C -1.119 175.166 176.300 -0.025 0.000 0.901 302 M CA 0.391 55.701 55.300 0.016 0.000 1.064 302 M CB 1.543 34.168 32.600 0.041 0.000 1.861 302 M HN 0.194 nan 8.290 nan 0.000 0.638 303 V N 1.128 120.998 119.914 -0.073 0.000 2.532 303 V HA 0.304 4.424 4.120 -0.000 0.000 0.294 303 V C -0.321 175.679 176.094 -0.157 0.000 1.036 303 V CA -1.209 60.986 62.300 -0.174 0.000 0.876 303 V CB 2.226 33.885 31.823 -0.273 0.000 1.012 303 V HN 0.122 nan 8.190 nan 0.000 0.432 304 K N 4.148 124.465 120.400 -0.139 0.000 2.436 304 K HA 0.456 4.776 4.320 -0.000 0.000 0.282 304 K C -0.058 176.458 176.600 -0.139 0.000 1.044 304 K CA 0.696 56.923 56.287 -0.099 0.000 1.028 304 K CB -0.132 32.335 32.500 -0.054 0.000 0.919 304 K HN 1.091 nan 8.250 nan 0.000 0.474 305 C N 0.542 119.778 119.300 -0.107 0.000 3.232 305 C HA 0.512 4.972 4.460 -0.000 0.000 0.315 305 C C -2.139 172.808 174.990 -0.071 0.000 1.401 305 C CA -0.780 58.170 59.018 -0.112 0.000 1.142 305 C CB 0.533 28.178 27.740 -0.158 0.000 1.559 305 C HN 0.916 nan 8.230 nan 0.000 0.408 306 D N 0.127 120.491 120.400 -0.060 0.000 2.804 306 D HA 0.391 5.031 4.640 -0.000 0.000 0.209 306 D C -2.858 173.449 176.300 0.012 0.000 1.314 306 D CA -0.748 53.243 54.000 -0.015 0.000 0.894 306 D CB 2.122 42.920 40.800 -0.003 0.000 1.615 306 D HN 0.332 nan 8.370 nan 0.000 0.571 307 P HA 0.149 nan 4.420 nan 0.000 0.257 307 P C 1.151 178.457 177.300 0.009 0.000 1.281 307 P CA 0.330 63.378 63.100 -0.086 0.000 0.826 307 P CB 0.166 31.720 31.700 -0.244 0.000 1.237 308 R N -0.534 120.016 120.500 0.083 0.000 2.307 308 R HA -0.097 4.243 4.340 -0.000 0.000 0.199 308 R C 1.873 178.229 176.300 0.093 0.000 1.000 308 R CA 1.186 57.344 56.100 0.097 0.000 1.023 308 R CB -1.979 28.377 30.300 0.093 0.000 0.908 308 R HN 0.447 nan 8.270 nan 0.000 0.473 309 H N -0.951 118.104 119.070 -0.025 0.000 2.315 309 H HA 0.186 4.742 4.556 -0.000 0.000 0.318 309 H C 1.529 176.829 175.328 -0.048 0.000 1.068 309 H CA 0.893 56.921 56.048 -0.032 0.000 1.465 309 H CB -0.020 29.718 29.762 -0.039 0.000 1.475 309 H HN 0.418 nan 8.280 nan 0.000 0.597 310 G N 1.008 109.661 108.800 -0.245 0.000 2.481 310 G HA2 0.251 4.211 3.960 -0.000 0.000 0.251 310 G HA3 0.251 4.211 3.960 -0.000 0.000 0.251 310 G C -0.493 174.270 174.900 -0.228 0.000 1.492 310 G CA -0.337 44.589 45.100 -0.290 0.000 1.060 310 G HN 0.344 nan 8.290 nan 0.000 0.553 311 K N -1.452 118.808 120.400 -0.234 0.000 2.433 311 K HA 0.394 4.714 4.320 -0.000 0.000 0.252 311 K C -1.849 174.523 176.600 -0.379 0.000 1.015 311 K CA -0.718 55.428 56.287 -0.234 0.000 0.860 311 K CB 1.982 34.382 32.500 -0.167 0.000 1.359 311 K HN 0.446 nan 8.250 nan 0.000 0.452 312 Y N 0.813 120.856 120.300 -0.428 0.000 2.360 312 Y HA 0.275 4.825 4.550 -0.000 0.000 0.337 312 Y C 0.773 176.232 175.900 -0.735 0.000 1.039 312 Y CA -0.665 57.046 58.100 -0.648 0.000 1.109 312 Y CB 1.561 39.344 38.460 -1.130 0.000 1.201 312 Y HN 0.464 nan 8.280 nan 0.000 0.458 313 M N 1.793 121.249 119.600 -0.241 0.000 2.809 313 M HA 0.797 5.277 4.480 -0.000 0.000 0.388 313 M C -0.629 175.752 176.300 0.136 0.000 1.248 313 M CA -0.364 54.883 55.300 -0.088 0.000 0.885 313 M CB 0.957 33.522 32.600 -0.058 0.000 1.386 313 M HN 0.437 nan 8.290 nan 0.000 0.509 314 A N 0.039 122.962 122.820 0.172 0.000 0.909 314 A HA 0.373 4.693 4.320 -0.000 0.000 0.189 314 A C -1.212 176.458 177.584 0.144 0.000 0.906 314 A CA -0.990 51.175 52.037 0.212 0.000 0.541 314 A CB -0.594 18.488 19.000 0.138 0.000 0.393 314 A HN 0.439 nan 8.150 nan 0.000 0.323 315 C N 1.577 120.951 119.300 0.123 0.000 2.391 315 C HA 0.869 5.329 4.460 -0.000 0.000 0.339 315 C C 0.413 175.434 174.990 0.052 0.000 1.205 315 C CA -0.137 58.884 59.018 0.005 0.000 1.937 315 C CB 0.895 28.442 27.740 -0.320 0.000 2.341 315 C HN 1.141 nan 8.230 nan 0.000 0.516 316 C N 4.713 124.092 119.300 0.131 0.000 2.609 316 C HA 0.684 5.144 4.460 -0.000 0.000 0.313 316 C C -1.009 174.079 174.990 0.163 0.000 1.175 316 C CA -0.568 58.531 59.018 0.135 0.000 1.434 316 C CB 0.355 28.122 27.740 0.046 0.000 2.005 316 C HN 0.842 nan 8.230 nan 0.000 0.471 317 L N 5.426 126.767 121.223 0.197 0.000 2.343 317 L HA 0.556 4.896 4.340 -0.000 0.000 0.278 317 L C -1.113 175.833 176.870 0.127 0.000 0.996 317 L CA -0.498 54.427 54.840 0.142 0.000 0.831 317 L CB 1.496 43.727 42.059 0.288 0.000 1.232 317 L HN 0.491 nan 8.230 nan 0.000 0.413 318 L N 4.648 125.867 121.223 -0.007 0.000 2.337 318 L HA 0.407 4.747 4.340 -0.000 0.000 0.269 318 L C -0.557 176.292 176.870 -0.035 0.000 1.018 318 L CA -0.061 54.803 54.840 0.041 0.000 0.876 318 L CB 0.582 42.665 42.059 0.039 0.000 1.236 318 L HN 0.290 nan 8.230 nan 0.000 0.436 319 Y N 2.199 122.490 120.300 -0.015 0.000 2.316 319 Y HA 0.639 5.189 4.550 -0.000 0.000 0.324 319 Y C 0.527 176.410 175.900 -0.029 0.000 1.267 319 Y CA -0.515 57.567 58.100 -0.030 0.000 1.311 319 Y CB 0.982 39.431 38.460 -0.019 0.000 1.267 319 Y HN 0.348 nan 8.280 nan 0.000 0.516 320 R N 0.389 120.964 120.500 0.125 0.000 2.522 320 R HA 0.529 4.869 4.340 -0.000 0.000 0.283 320 R C -0.328 176.006 176.300 0.058 0.000 1.074 320 R CA -0.017 56.114 56.100 0.051 0.000 0.925 320 R CB 1.927 32.236 30.300 0.015 0.000 1.205 320 R HN 0.956 nan 8.270 nan 0.000 0.436 321 G N 2.179 111.013 108.800 0.056 0.000 2.384 321 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.200 321 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.200 321 G C -1.371 173.581 174.900 0.087 0.000 1.205 321 G CA -0.616 44.517 45.100 0.055 0.000 1.116 321 G HN 0.530 nan 8.290 nan 0.000 0.547 322 D N 0.844 121.271 120.400 0.044 0.000 2.359 322 D HA 0.501 5.141 4.640 -0.000 0.000 0.250 322 D C -0.090 176.225 176.300 0.025 0.000 1.264 322 D CA 0.456 54.466 54.000 0.017 0.000 0.911 322 D CB 0.558 41.353 40.800 -0.009 0.000 1.056 322 D HN 0.754 nan 8.370 nan 0.000 0.499 323 V N 3.741 123.677 119.914 0.036 0.000 2.752 323 V HA 0.247 4.367 4.120 -0.000 0.000 0.302 323 V C -0.196 175.892 176.094 -0.009 0.000 1.133 323 V CA -0.980 61.321 62.300 0.001 0.000 0.919 323 V CB 2.047 33.861 31.823 -0.015 0.000 1.026 323 V HN 0.141 nan 8.190 nan 0.000 0.429 324 V N 6.152 126.034 119.914 -0.053 0.000 2.532 324 V HA 0.335 4.455 4.120 -0.000 0.000 0.295 324 V C -1.467 174.576 176.094 -0.085 0.000 1.041 324 V CA -1.587 60.684 62.300 -0.049 0.000 0.926 324 V CB 2.017 33.807 31.823 -0.055 0.000 0.992 324 V HN 0.724 nan 8.190 nan 0.000 0.457 325 P HA -0.150 nan 4.420 nan 0.000 0.217 325 P C 1.759 179.002 177.300 -0.095 0.000 1.148 325 P CA 1.866 64.904 63.100 -0.103 0.000 0.828 325 P CB 0.120 31.786 31.700 -0.057 0.000 0.783 326 K N 0.378 120.737 120.400 -0.067 0.000 2.144 326 K HA -0.254 4.066 4.320 -0.000 0.000 0.209 326 K C 1.645 178.206 176.600 -0.065 0.000 1.047 326 K CA 2.348 58.601 56.287 -0.057 0.000 0.927 326 K CB -1.849 30.624 32.500 -0.045 0.000 0.716 326 K HN 0.322 nan 8.250 nan 0.000 0.454 327 D N -0.168 120.185 120.400 -0.078 0.000 2.144 327 D HA -0.036 4.604 4.640 -0.000 0.000 0.207 327 D C 2.079 178.323 176.300 -0.094 0.000 0.970 327 D CA 1.137 55.093 54.000 -0.073 0.000 0.853 327 D CB -0.574 40.187 40.800 -0.064 0.000 1.007 327 D HN 0.148 nan 8.370 nan 0.000 0.469 328 V N 2.096 121.912 119.914 -0.164 0.000 2.428 328 V HA -0.306 3.814 4.120 -0.000 0.000 0.255 328 V C 2.116 178.132 176.094 -0.131 0.000 1.080 328 V CA 1.675 63.841 62.300 -0.223 0.000 1.083 328 V CB -0.662 30.904 31.823 -0.428 0.000 0.665 328 V HN 0.248 nan 8.190 nan 0.000 0.461 329 N N -0.161 118.473 118.700 -0.111 0.000 2.051 329 N HA -0.122 4.618 4.740 -0.000 0.000 0.192 329 N C 1.920 177.382 175.510 -0.080 0.000 1.049 329 N CA 1.274 54.270 53.050 -0.090 0.000 0.845 329 N CB -0.235 38.210 38.487 -0.071 0.000 1.031 329 N HN 0.470 nan 8.380 nan 0.000 0.425 330 A N 0.948 123.730 122.820 -0.064 0.000 2.076 330 A HA -0.014 4.306 4.320 -0.000 0.000 0.220 330 A C 2.151 179.706 177.584 -0.047 0.000 1.160 330 A CA 1.604 53.611 52.037 -0.051 0.000 0.653 330 A CB -0.465 18.511 19.000 -0.040 0.000 0.801 330 A HN 0.425 nan 8.150 nan 0.000 0.455 331 A N -0.371 122.423 122.820 -0.044 0.000 1.930 331 A HA 0.093 4.413 4.320 -0.000 0.000 0.215 331 A C 2.046 179.603 177.584 -0.045 0.000 1.176 331 A CA 1.169 53.194 52.037 -0.021 0.000 0.632 331 A CB -0.396 18.615 19.000 0.019 0.000 0.819 331 A HN 0.450 nan 8.150 nan 0.000 0.445 332 I N -0.259 120.253 120.570 -0.096 0.000 2.202 332 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 332 I C 2.987 179.006 176.117 -0.164 0.000 1.091 332 I CA 0.939 62.123 61.300 -0.194 0.000 1.368 332 I CB -0.289 37.529 38.000 -0.303 0.000 1.058 332 I HN 0.348 nan 8.210 nan 0.000 0.410 333 A N 0.854 123.604 122.820 -0.116 0.000 1.869 333 A HA -0.326 3.994 4.320 -0.000 0.000 0.218 333 A C 2.387 179.925 177.584 -0.077 0.000 1.203 333 A CA 3.152 55.137 52.037 -0.086 0.000 0.638 333 A CB -1.556 17.407 19.000 -0.062 0.000 0.831 333 A HN 0.528 nan 8.150 nan 0.000 0.450 334 T N -2.308 112.208 114.554 -0.062 0.000 2.962 334 T HA 0.083 4.433 4.350 -0.000 0.000 0.270 334 T C 1.720 176.384 174.700 -0.060 0.000 1.088 334 T CA 1.422 63.493 62.100 -0.049 0.000 1.127 334 T CB -0.911 67.939 68.868 -0.030 0.000 0.883 334 T HN 0.908 nan 8.240 nan 0.000 0.493 335 I N 0.237 120.756 120.570 -0.086 0.000 3.291 335 I HA 0.363 4.533 4.170 -0.000 0.000 0.279 335 I C 2.380 178.376 176.117 -0.201 0.000 1.294 335 I CA 1.113 62.338 61.300 -0.124 0.000 1.428 335 I CB -1.155 36.774 38.000 -0.118 0.000 1.070 335 I HN 0.341 nan 8.210 nan 0.000 0.478 336 K N -0.733 119.577 120.400 -0.150 0.000 2.365 336 K HA 0.058 4.378 4.320 -0.000 0.000 0.195 336 K C 2.163 178.718 176.600 -0.074 0.000 1.079 336 K CA 1.097 57.310 56.287 -0.124 0.000 0.979 336 K CB 0.263 32.708 32.500 -0.092 0.000 0.929 336 K HN 0.527 nan 8.250 nan 0.000 0.523 337 T N 1.253 115.771 114.554 -0.060 0.000 2.635 337 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 337 T C 1.370 176.052 174.700 -0.030 0.000 1.040 337 T CA 2.162 64.239 62.100 -0.039 0.000 1.156 337 T CB -0.136 68.713 68.868 -0.032 0.000 0.863 337 T HN 0.252 nan 8.240 nan 0.000 0.430 338 K N 1.099 121.481 120.400 -0.031 0.000 2.800 338 K HA 0.743 5.063 4.320 -0.000 0.000 0.185 338 K C -0.153 176.433 176.600 -0.023 0.000 1.082 338 K CA -0.220 56.055 56.287 -0.020 0.000 0.978 338 K CB 0.021 32.515 32.500 -0.011 0.000 1.364 338 K HN 0.687 nan 8.250 nan 0.000 0.592 339 R N -0.866 119.613 120.500 -0.035 0.000 2.747 339 R HA 0.788 5.128 4.340 -0.000 0.000 0.272 339 R C -0.307 175.973 176.300 -0.033 0.000 1.032 339 R CA -0.035 56.040 56.100 -0.043 0.000 0.896 339 R CB 0.087 30.324 30.300 -0.105 0.000 1.253 339 R HN 0.249 nan 8.270 nan 0.000 0.461 340 T N 2.913 117.459 114.554 -0.015 0.000 3.364 340 T HA 0.215 4.565 4.350 -0.000 0.000 0.323 340 T C 1.776 176.482 174.700 0.011 0.000 1.323 340 T CA 0.277 62.389 62.100 0.020 0.000 1.073 340 T CB -1.003 67.903 68.868 0.063 0.000 1.150 340 T HN 0.562 nan 8.240 nan 0.000 0.727 341 I N 1.333 121.895 120.570 -0.012 0.000 2.069 341 I HA -0.157 4.013 4.170 -0.000 0.000 0.237 341 I C 1.362 177.527 176.117 0.080 0.000 1.053 341 I CA 1.675 62.977 61.300 0.004 0.000 1.311 341 I CB -1.615 36.407 38.000 0.038 0.000 1.030 341 I HN 0.564 nan 8.210 nan 0.000 0.398 342 Q N 0.722 120.578 119.800 0.092 0.000 2.426 342 Q HA -0.235 4.105 4.340 -0.000 0.000 0.359 342 Q C -0.412 175.638 176.000 0.083 0.000 1.381 342 Q CA 1.519 57.374 55.803 0.087 0.000 1.060 342 Q CB -3.146 25.631 28.738 0.065 0.000 1.253 342 Q HN 0.648 nan 8.270 nan 0.000 0.363 343 F N -0.787 119.164 119.950 0.002 0.000 2.371 343 F HA 0.548 5.075 4.527 -0.000 0.000 0.329 343 F C 1.104 176.821 175.800 -0.138 0.000 1.107 343 F CA -0.391 57.579 58.000 -0.050 0.000 1.137 343 F CB 1.901 40.840 39.000 -0.102 0.000 1.214 343 F HN 0.309 nan 8.300 nan 0.000 0.536 344 V N 5.683 125.576 119.914 -0.036 0.000 2.389 344 V HA 0.037 4.157 4.120 -0.000 0.000 0.264 344 V C 0.736 176.550 176.094 -0.467 0.000 1.049 344 V CA 0.060 62.180 62.300 -0.301 0.000 0.932 344 V CB 0.313 31.842 31.823 -0.490 0.000 1.011 344 V HN 0.966 nan 8.190 nan 0.000 0.475 345 D N 4.735 124.979 120.400 -0.260 0.000 3.572 345 D HA -0.287 4.353 4.640 -0.000 0.000 0.468 345 D C 0.958 177.203 176.300 -0.092 0.000 0.909 345 D CA 3.092 56.994 54.000 -0.164 0.000 1.493 345 D CB -0.359 40.386 40.800 -0.092 0.000 0.552 345 D HN 0.836 nan 8.370 nan 0.000 0.550 346 W N 0.603 121.945 121.300 0.070 0.000 3.151 346 W HA 0.484 5.144 4.660 -0.000 0.000 0.424 346 W C -0.051 176.501 176.519 0.056 0.000 1.012 346 W CA -0.683 56.695 57.345 0.054 0.000 2.018 346 W CB -0.836 28.658 29.460 0.057 0.000 1.087 346 W HN 0.127 nan 8.180 nan 0.000 0.740 347 C N 3.744 123.046 119.300 0.003 0.000 2.505 347 C HA 0.378 4.838 4.460 -0.000 0.000 0.342 347 C C -0.720 174.224 174.990 -0.076 0.000 1.121 347 C CA -1.763 57.298 59.018 0.072 0.000 1.306 347 C CB 0.534 28.219 27.740 -0.091 0.000 1.897 347 C HN 0.042 nan 8.230 nan 0.000 0.446 348 P HA -0.154 nan 4.420 nan 0.000 0.246 348 P C 0.206 177.198 177.300 -0.513 0.000 0.850 348 P CA 2.573 65.545 63.100 -0.213 0.000 1.109 348 P CB -0.061 31.543 31.700 -0.160 0.000 0.744 349 T N -4.764 109.347 114.554 -0.739 0.000 4.843 349 T HA 0.385 4.735 4.350 -0.000 0.000 0.225 349 T C 0.767 174.962 174.700 -0.842 0.000 0.923 349 T CA -0.156 61.165 62.100 -1.299 0.000 1.212 349 T CB -0.427 68.048 68.868 -0.654 0.000 0.775 349 T HN 0.523 nan 8.240 nan 0.000 0.499 350 G N 2.201 110.601 108.800 -0.666 0.000 3.725 350 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.331 350 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.331 350 G C 0.424 175.247 174.900 -0.129 0.000 0.871 350 G CA 1.305 46.234 45.100 -0.285 0.000 0.725 350 G HN 1.059 nan 8.290 nan 0.000 1.346 351 F N -1.069 118.920 119.950 0.066 0.000 2.975 351 F HA -0.097 4.430 4.527 -0.000 0.000 0.319 351 F C 1.342 177.172 175.800 0.051 0.000 0.976 351 F CA 0.449 58.492 58.000 0.071 0.000 1.072 351 F CB -1.839 37.192 39.000 0.052 0.000 1.165 351 F HN 0.727 nan 8.300 nan 0.000 0.758 352 K N 0.899 121.408 120.400 0.181 0.000 2.294 352 K HA 0.579 4.899 4.320 -0.000 0.000 0.288 352 K C 0.000 176.690 176.600 0.149 0.000 1.072 352 K CA 0.063 56.422 56.287 0.119 0.000 0.960 352 K CB 0.336 32.874 32.500 0.064 0.000 1.043 352 K HN 0.250 nan 8.250 nan 0.000 0.455 353 V N 1.707 121.708 119.914 0.145 0.000 2.546 353 V HA 0.720 4.840 4.120 -0.000 0.000 0.284 353 V C 0.976 177.133 176.094 0.106 0.000 1.050 353 V CA -0.447 61.945 62.300 0.154 0.000 0.981 353 V CB 1.603 33.489 31.823 0.105 0.000 0.990 353 V HN 0.934 nan 8.190 nan 0.000 0.474 354 G N 4.649 113.531 108.800 0.137 0.000 2.707 354 G HA2 0.739 4.699 3.960 -0.000 0.000 0.299 354 G HA3 0.739 4.699 3.960 -0.000 0.000 0.299 354 G C -1.237 173.719 174.900 0.093 0.000 1.442 354 G CA -0.531 44.618 45.100 0.082 0.000 1.009 354 G HN 0.600 nan 8.290 nan 0.000 0.515 355 I N 0.801 121.365 120.570 -0.009 0.000 2.441 355 I HA 0.402 4.572 4.170 -0.000 0.000 0.295 355 I C -0.150 175.843 176.117 -0.207 0.000 0.994 355 I CA -0.775 60.501 61.300 -0.040 0.000 1.144 355 I CB 2.536 40.506 38.000 -0.049 0.000 1.314 355 I HN 0.410 nan 8.210 nan 0.000 0.445 356 N N 3.797 122.412 118.700 -0.141 0.000 2.841 356 N HA 0.323 5.063 4.740 -0.000 0.000 0.257 356 N C 0.503 175.920 175.510 -0.156 0.000 1.396 356 N CA -0.415 52.502 53.050 -0.222 0.000 0.823 356 N CB 0.366 38.777 38.487 -0.127 0.000 1.162 356 N HN 0.581 nan 8.380 nan 0.000 0.503 357 Y N 0.195 120.454 120.300 -0.070 0.000 2.240 357 Y HA -0.368 4.182 4.550 -0.000 0.000 0.278 357 Y C 1.201 177.027 175.900 -0.122 0.000 1.247 357 Y CA 0.630 58.683 58.100 -0.078 0.000 1.183 357 Y CB -0.185 38.240 38.460 -0.058 0.000 0.956 357 Y HN 0.537 nan 8.280 nan 0.000 0.533 358 E N 2.859 123.010 120.200 -0.082 0.000 2.491 358 E HA 0.071 4.421 4.350 -0.000 0.000 0.250 358 E C -2.611 173.879 176.600 -0.184 0.000 1.061 358 E CA -1.716 54.545 56.400 -0.232 0.000 0.942 358 E CB 0.496 29.820 29.700 -0.626 0.000 0.957 358 E HN 0.035 nan 8.360 nan 0.000 0.480 359 P HA 0.083 nan 4.420 nan 0.000 0.269 359 P C -2.495 174.777 177.300 -0.047 0.000 1.215 359 P CA -1.153 61.917 63.100 -0.048 0.000 0.780 359 P CB 0.167 31.852 31.700 -0.024 0.000 0.898 360 P HA 0.087 nan 4.420 nan 0.000 0.273 360 P C -0.333 176.986 177.300 0.031 0.000 1.428 360 P CA -0.066 63.051 63.100 0.028 0.000 0.995 360 P CB -0.456 31.287 31.700 0.072 0.000 1.286 361 T N 0.535 115.102 114.554 0.023 0.000 2.897 361 T HA 0.491 4.841 4.350 -0.000 0.000 0.294 361 T C 0.320 175.042 174.700 0.036 0.000 1.004 361 T CA -0.664 61.453 62.100 0.028 0.000 1.106 361 T CB 0.992 69.876 68.868 0.027 0.000 0.949 361 T HN 0.217 nan 8.240 nan 0.000 0.520 362 V N 1.336 121.270 119.914 0.033 0.000 2.960 362 V HA 0.773 4.893 4.120 -0.000 0.000 0.315 362 V C 0.026 176.139 176.094 0.031 0.000 1.087 362 V CA -1.298 61.018 62.300 0.027 0.000 0.982 362 V CB 1.669 33.507 31.823 0.026 0.000 1.039 362 V HN 0.975 nan 8.190 nan 0.000 0.437 363 V N 2.395 122.325 119.914 0.027 0.000 2.901 363 V HA 0.174 4.294 4.120 -0.000 0.000 0.307 363 V C -1.205 174.910 176.094 0.034 0.000 1.084 363 V CA -0.232 62.091 62.300 0.038 0.000 1.184 363 V CB -0.066 31.779 31.823 0.035 0.000 0.941 363 V HN 0.935 nan 8.190 nan 0.000 0.493 364 P HA 0.018 nan 4.420 nan 0.000 0.214 364 P C 1.360 178.674 177.300 0.022 0.000 1.162 364 P CA 1.573 64.692 63.100 0.031 0.000 0.874 364 P CB 0.048 31.768 31.700 0.034 0.000 0.784 365 G N -0.840 107.973 108.800 0.021 0.000 3.088 365 G HA2 0.238 4.198 3.960 -0.000 0.000 0.212 365 G HA3 0.238 4.198 3.960 -0.000 0.000 0.212 365 G C 0.835 175.743 174.900 0.013 0.000 1.173 365 G CA 0.148 45.257 45.100 0.014 0.000 0.779 365 G HN 0.417 nan 8.290 nan 0.000 0.540 366 G N 0.355 109.165 108.800 0.015 0.000 2.744 366 G HA2 0.244 4.204 3.960 -0.000 0.000 0.257 366 G HA3 0.244 4.204 3.960 -0.000 0.000 0.257 366 G C 0.289 175.193 174.900 0.006 0.000 1.244 366 G CA 0.208 45.314 45.100 0.011 0.000 0.916 366 G HN 0.252 nan 8.290 nan 0.000 0.564 367 D N -1.284 119.117 120.400 0.002 0.000 2.392 367 D HA 0.133 4.773 4.640 -0.000 0.000 0.206 367 D C 0.426 176.728 176.300 0.003 0.000 1.046 367 D CA -0.009 53.991 54.000 -0.000 0.000 0.865 367 D CB 0.110 40.906 40.800 -0.006 0.000 0.969 367 D HN 0.228 nan 8.370 nan 0.000 0.509 368 L N 0.093 121.320 121.223 0.006 0.000 2.334 368 L HA 0.751 5.091 4.340 -0.000 0.000 0.275 368 L C 0.200 177.083 176.870 0.021 0.000 1.036 368 L CA -1.450 53.400 54.840 0.016 0.000 0.807 368 L CB 1.019 43.089 42.059 0.019 0.000 1.231 368 L HN -0.172 nan 8.230 nan 0.000 0.438 369 A N 1.334 124.170 122.820 0.026 0.000 2.252 369 A HA 0.678 4.998 4.320 -0.000 0.000 0.305 369 A C -0.190 177.413 177.584 0.032 0.000 1.097 369 A CA -0.761 51.291 52.037 0.025 0.000 0.849 369 A CB 0.409 19.421 19.000 0.020 0.000 1.142 369 A HN 0.825 nan 8.150 nan 0.000 0.499 370 K N -0.392 120.024 120.400 0.027 0.000 2.414 370 K HA 0.410 4.730 4.320 -0.000 0.000 0.272 370 K C -0.590 176.027 176.600 0.029 0.000 0.993 370 K CA -0.186 56.118 56.287 0.028 0.000 0.964 370 K CB 0.336 32.849 32.500 0.021 0.000 0.925 370 K HN 0.541 nan 8.250 nan 0.000 0.487 371 V N 0.147 120.080 119.914 0.032 0.000 2.709 371 V HA 0.164 4.284 4.120 -0.000 0.000 0.308 371 V C 0.755 176.860 176.094 0.018 0.000 1.062 371 V CA -1.140 61.176 62.300 0.026 0.000 0.901 371 V CB 1.647 33.489 31.823 0.033 0.000 1.003 371 V HN 0.797 nan 8.190 nan 0.000 0.425 372 Q N 2.070 121.877 119.800 0.012 0.000 2.135 372 Q HA -0.087 4.253 4.340 -0.000 0.000 0.204 372 Q C 0.617 176.625 176.000 0.013 0.000 0.981 372 Q CA 1.743 57.552 55.803 0.009 0.000 0.856 372 Q CB 0.071 28.813 28.738 0.006 0.000 0.902 372 Q HN 0.915 nan 8.270 nan 0.000 0.425 373 R N -1.956 118.552 120.500 0.012 0.000 2.594 373 R HA 0.755 5.095 4.340 -0.000 0.000 0.265 373 R C -1.629 174.659 176.300 -0.020 0.000 1.070 373 R CA -0.457 55.655 56.100 0.020 0.000 0.909 373 R CB 1.304 31.632 30.300 0.047 0.000 1.243 373 R HN -0.059 nan 8.270 nan 0.000 0.455 374 A N 2.160 124.951 122.820 -0.048 0.000 2.475 374 A HA 0.730 5.050 4.320 -0.000 0.000 0.301 374 A C -0.901 176.518 177.584 -0.275 0.000 1.059 374 A CA -0.738 51.178 52.037 -0.202 0.000 0.710 374 A CB 2.145 21.006 19.000 -0.232 0.000 1.288 374 A HN 0.441 nan 8.150 nan 0.000 0.408 375 V N -0.343 119.288 119.914 -0.470 0.000 2.994 375 V HA 0.530 4.650 4.120 -0.000 0.000 0.318 375 V C 0.612 176.426 176.094 -0.466 0.000 1.085 375 V CA -0.374 61.577 62.300 -0.583 0.000 0.998 375 V CB 1.469 32.842 31.823 -0.750 0.000 1.063 375 V HN 1.168 nan 8.190 nan 0.000 0.447 376 C N 1.124 120.220 119.300 -0.340 0.000 3.054 376 C HA 0.453 4.913 4.460 -0.000 0.000 0.527 376 C C 0.897 175.816 174.990 -0.118 0.000 1.347 376 C CA 0.339 59.265 59.018 -0.152 0.000 2.453 376 C CB -0.336 27.390 27.740 -0.024 0.000 3.406 376 C HN 1.032 nan 8.230 nan 0.000 0.562 377 M N 1.396 120.913 119.600 -0.137 0.000 4.032 377 M HA -0.185 4.295 4.480 -0.000 0.000 0.157 377 M C -1.890 174.404 176.300 -0.009 0.000 1.530 377 M CA 0.835 56.084 55.300 -0.086 0.000 1.093 377 M CB -0.405 32.066 32.600 -0.214 0.000 1.345 377 M HN 0.353 nan 8.290 nan 0.000 0.208 378 L N 6.288 127.538 121.223 0.046 0.000 2.294 378 L HA 0.664 5.004 4.340 -0.000 0.000 0.283 378 L C -0.104 176.842 176.870 0.128 0.000 1.015 378 L CA -0.638 54.266 54.840 0.107 0.000 0.831 378 L CB 1.673 43.812 42.059 0.132 0.000 1.217 378 L HN 0.804 nan 8.230 nan 0.000 0.420 379 S N 1.708 117.504 115.700 0.160 0.000 2.513 379 S HA 0.352 4.822 4.470 -0.000 0.000 0.299 379 S C -0.542 174.160 174.600 0.170 0.000 1.087 379 S CA -0.896 57.425 58.200 0.202 0.000 1.012 379 S CB 2.213 65.637 63.200 0.373 0.000 1.044 379 S HN 0.633 nan 8.310 nan 0.000 0.485 380 N N 1.830 120.622 118.700 0.152 0.000 2.678 380 N HA 0.202 4.942 4.740 -0.000 0.000 0.231 380 N C -0.612 174.957 175.510 0.097 0.000 1.038 380 N CA 0.007 53.150 53.050 0.155 0.000 0.932 380 N CB 0.653 39.239 38.487 0.164 0.000 1.176 380 N HN 0.676 nan 8.380 nan 0.000 0.511 381 T N 0.193 114.761 114.554 0.023 0.000 2.927 381 T HA 0.146 4.496 4.350 -0.000 0.000 0.281 381 T C 1.720 176.454 174.700 0.057 0.000 0.998 381 T CA -0.327 61.685 62.100 -0.146 0.000 1.019 381 T CB 1.374 69.984 68.868 -0.431 0.000 1.061 381 T HN 0.499 nan 8.240 nan 0.000 0.518 382 T N 0.011 114.572 114.554 0.011 0.000 3.067 382 T HA 0.211 4.561 4.350 -0.000 0.000 0.257 382 T C 1.981 176.700 174.700 0.032 0.000 1.105 382 T CA 0.688 62.890 62.100 0.170 0.000 1.104 382 T CB -0.400 68.538 68.868 0.117 0.000 0.925 382 T HN 0.627 nan 8.240 nan 0.000 0.498 383 A N 1.120 123.899 122.820 -0.069 0.000 2.209 383 A HA 0.323 4.643 4.320 -0.000 0.000 0.212 383 A C 2.141 179.642 177.584 -0.139 0.000 1.158 383 A CA 0.212 52.216 52.037 -0.055 0.000 0.742 383 A CB -0.769 18.208 19.000 -0.039 0.000 0.790 383 A HN 0.541 nan 8.150 nan 0.000 0.472 384 I N -0.357 120.097 120.570 -0.193 0.000 2.830 384 I HA -0.118 4.052 4.170 -0.000 0.000 0.263 384 I C 2.249 178.060 176.117 -0.511 0.000 1.230 384 I CA 1.190 62.302 61.300 -0.313 0.000 1.480 384 I CB -0.538 37.342 38.000 -0.200 0.000 1.095 384 I HN 0.362 nan 8.210 nan 0.000 0.455 385 A N -0.142 122.406 122.820 -0.452 0.000 2.168 385 A HA -0.147 4.173 4.320 -0.000 0.000 0.215 385 A C 2.001 179.475 177.584 -0.182 0.000 1.152 385 A CA 0.680 52.511 52.037 -0.343 0.000 0.716 385 A CB -0.499 18.344 19.000 -0.260 0.000 0.794 385 A HN 0.465 nan 8.150 nan 0.000 0.465 386 E N -0.490 119.591 120.200 -0.199 0.000 2.338 386 E HA -0.057 4.293 4.350 -0.000 0.000 0.197 386 E C 1.923 178.409 176.600 -0.189 0.000 1.007 386 E CA 0.693 57.006 56.400 -0.144 0.000 0.849 386 E CB -0.072 29.542 29.700 -0.144 0.000 0.774 386 E HN 0.673 nan 8.360 nan 0.000 0.506 387 A N -0.535 122.067 122.820 -0.364 0.000 2.044 387 A HA -0.031 4.289 4.320 -0.000 0.000 0.213 387 A C 1.422 178.858 177.584 -0.247 0.000 1.169 387 A CA -0.063 51.698 52.037 -0.460 0.000 0.724 387 A CB -0.547 17.875 19.000 -0.963 0.000 0.840 387 A HN 0.343 nan 8.150 nan 0.000 0.463 388 W N -0.198 121.015 121.300 -0.146 0.000 2.519 388 W HA 0.107 4.767 4.660 -0.000 0.000 0.266 388 W C 2.447 178.925 176.519 -0.069 0.000 1.253 388 W CA 0.497 57.767 57.345 -0.125 0.000 1.274 388 W CB 0.253 29.584 29.460 -0.215 0.000 1.114 388 W HN 0.414 nan 8.180 nan 0.000 0.596 389 A N 0.967 123.870 122.820 0.138 0.000 1.855 389 A HA -0.095 4.225 4.320 -0.000 0.000 0.213 389 A C 1.955 179.608 177.584 0.115 0.000 1.195 389 A CA 0.884 52.983 52.037 0.103 0.000 0.610 389 A CB -0.669 18.361 19.000 0.051 0.000 0.837 389 A HN 0.181 nan 8.150 nan 0.000 0.444 390 R N -0.976 119.576 120.500 0.087 0.000 2.170 390 R HA -0.155 4.185 4.340 -0.000 0.000 0.242 390 R C 1.752 178.140 176.300 0.147 0.000 1.145 390 R CA 1.366 57.527 56.100 0.102 0.000 0.984 390 R CB -0.505 29.855 30.300 0.101 0.000 0.869 390 R HN 0.405 nan 8.270 nan 0.000 0.455 391 L N 0.807 122.128 121.223 0.164 0.000 2.168 391 L HA -0.034 4.306 4.340 -0.000 0.000 0.203 391 L C 1.555 178.508 176.870 0.138 0.000 1.078 391 L CA 1.665 56.574 54.840 0.115 0.000 0.780 391 L CB -0.353 41.768 42.059 0.103 0.000 0.939 391 L HN -0.024 nan 8.230 nan 0.000 0.451 392 D N -1.308 119.167 120.400 0.125 0.000 2.104 392 D HA -0.259 4.381 4.640 -0.000 0.000 0.194 392 D C 2.055 178.470 176.300 0.192 0.000 0.994 392 D CA 1.398 55.450 54.000 0.087 0.000 0.830 392 D CB -0.283 40.540 40.800 0.037 0.000 0.959 392 D HN 0.408 nan 8.370 nan 0.000 0.452 393 H N 1.216 120.349 119.070 0.105 0.000 2.289 393 H HA -0.146 4.410 4.556 -0.000 0.000 0.296 393 H C 1.999 177.407 175.328 0.133 0.000 1.091 393 H CA 2.018 58.130 56.048 0.107 0.000 1.274 393 H CB 0.223 30.027 29.762 0.070 0.000 1.364 393 H HN 0.001 nan 8.280 nan 0.000 0.490 394 K N -0.152 120.373 120.400 0.209 0.000 1.987 394 K HA -0.188 4.132 4.320 -0.000 0.000 0.216 394 K C 2.283 178.968 176.600 0.141 0.000 1.051 394 K CA 1.898 58.262 56.287 0.128 0.000 0.942 394 K CB -0.649 31.908 32.500 0.096 0.000 0.722 394 K HN 0.201 nan 8.250 nan 0.000 0.444 395 F N 2.012 122.001 119.950 0.065 0.000 2.043 395 F HA -0.361 4.166 4.527 -0.000 0.000 0.297 395 F C 1.836 177.763 175.800 0.212 0.000 1.121 395 F CA 1.821 59.931 58.000 0.183 0.000 1.199 395 F CB -0.238 38.849 39.000 0.145 0.000 0.968 395 F HN 0.100 nan 8.300 nan 0.000 0.478 396 D N 0.657 121.402 120.400 0.576 0.000 2.149 396 D HA -0.254 4.386 4.640 -0.000 0.000 0.194 396 D C 2.178 178.581 176.300 0.172 0.000 1.001 396 D CA 1.878 56.103 54.000 0.374 0.000 0.849 396 D CB -0.644 40.263 40.800 0.178 0.000 0.939 396 D HN 0.493 nan 8.370 nan 0.000 0.449 397 L N -1.025 120.216 121.223 0.032 0.000 2.156 397 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 397 L C 2.177 179.062 176.870 0.026 0.000 1.095 397 L CA 0.950 55.767 54.840 -0.038 0.000 0.770 397 L CB -0.062 41.885 42.059 -0.186 0.000 0.914 397 L HN -0.031 nan 8.230 nan 0.000 0.439 398 M N -1.550 118.085 119.600 0.058 0.000 2.216 398 M HA -0.146 4.334 4.480 -0.000 0.000 0.264 398 M C 2.199 178.586 176.300 0.146 0.000 1.080 398 M CA 1.418 56.765 55.300 0.078 0.000 1.153 398 M CB -0.273 32.310 32.600 -0.027 0.000 1.356 398 M HN 0.319 nan 8.290 nan 0.000 0.432 399 Y N 1.069 121.389 120.300 0.034 0.000 2.384 399 Y HA -0.189 4.361 4.550 -0.000 0.000 0.289 399 Y C 2.131 178.013 175.900 -0.029 0.000 1.152 399 Y CA 1.286 59.346 58.100 -0.068 0.000 1.258 399 Y CB -0.332 37.967 38.460 -0.268 0.000 0.979 399 Y HN 0.253 nan 8.280 nan 0.000 0.549 400 A N -0.493 122.361 122.820 0.057 0.000 2.186 400 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 400 A C 1.745 179.278 177.584 -0.084 0.000 1.159 400 A CA 1.804 53.843 52.037 0.003 0.000 0.680 400 A CB -0.381 18.636 19.000 0.027 0.000 0.787 400 A HN 0.490 nan 8.150 nan 0.000 0.467 401 K N -2.199 118.128 120.400 -0.121 0.000 2.609 401 K HA 0.179 4.499 4.320 -0.000 0.000 0.195 401 K C -0.032 176.465 176.600 -0.172 0.000 1.144 401 K CA -0.413 55.798 56.287 -0.126 0.000 1.084 401 K CB 0.784 33.246 32.500 -0.064 0.000 0.877 401 K HN 0.147 nan 8.250 nan 0.000 0.540 402 R N -0.916 119.401 120.500 -0.305 0.000 3.863 402 R HA -0.278 4.062 4.340 -0.000 0.000 0.313 402 R C 0.992 177.262 176.300 -0.050 0.000 1.202 402 R CA 0.820 56.728 56.100 -0.319 0.000 0.852 402 R CB -2.900 27.212 30.300 -0.313 0.000 1.292 402 R HN 0.441 nan 8.270 nan 0.000 0.519 403 A N 0.010 122.865 122.820 0.057 0.000 1.886 403 A HA -0.272 4.048 4.320 -0.000 0.000 0.240 403 A C 1.483 179.150 177.584 0.139 0.000 1.875 403 A CA 2.539 54.669 52.037 0.155 0.000 0.760 403 A CB -0.651 18.568 19.000 0.365 0.000 0.849 403 A HN 0.359 nan 8.150 nan 0.000 0.505 404 F N -3.731 116.421 119.950 0.337 0.000 2.856 404 F HA 0.245 4.772 4.527 -0.000 0.000 0.338 404 F C 1.609 177.687 175.800 0.463 0.000 1.100 404 F CA -0.064 58.207 58.000 0.451 0.000 1.150 404 F CB 0.214 39.484 39.000 0.450 0.000 1.101 404 F HN 0.030 nan 8.300 nan 0.000 0.548 405 V N 2.063 122.215 119.914 0.397 0.000 2.357 405 V HA -0.388 3.732 4.120 -0.000 0.000 0.257 405 V C 2.893 179.087 176.094 0.168 0.000 1.082 405 V CA 2.843 65.149 62.300 0.010 0.000 1.078 405 V CB -0.565 30.976 31.823 -0.470 0.000 0.663 405 V HN 0.613 nan 8.190 nan 0.000 0.455 406 H N -3.160 115.951 119.070 0.068 0.000 2.489 406 H HA -0.244 4.312 4.556 -0.000 0.000 0.295 406 H C 2.022 177.346 175.328 -0.007 0.000 1.082 406 H CA 1.878 57.897 56.048 -0.049 0.000 1.295 406 H CB -0.725 28.910 29.762 -0.213 0.000 1.380 406 H HN 0.640 nan 8.280 nan 0.000 0.548 407 W N 0.610 121.667 121.300 -0.406 0.000 2.467 407 W HA -0.038 4.622 4.660 -0.000 0.000 0.275 407 W C 1.719 178.187 176.519 -0.085 0.000 1.239 407 W CA 0.504 57.680 57.345 -0.282 0.000 1.266 407 W CB -0.182 29.105 29.460 -0.287 0.000 1.112 407 W HN 0.132 nan 8.180 nan 0.000 0.576 408 Y N -0.912 119.579 120.300 0.319 0.000 2.269 408 Y HA -0.139 4.411 4.550 -0.000 0.000 0.294 408 Y C 2.301 178.348 175.900 0.245 0.000 1.120 408 Y CA 0.950 59.263 58.100 0.356 0.000 1.159 408 Y CB -1.147 37.624 38.460 0.518 0.000 1.024 408 Y HN -0.314 nan 8.280 nan 0.000 0.532 409 V N -0.228 119.876 119.914 0.318 0.000 2.568 409 V HA -0.248 3.872 4.120 -0.000 0.000 0.253 409 V C 2.465 178.637 176.094 0.130 0.000 1.072 409 V CA 1.798 64.206 62.300 0.180 0.000 1.084 409 V CB -1.540 30.343 31.823 0.101 0.000 0.676 409 V HN 0.566 nan 8.190 nan 0.000 0.469 410 G N -0.060 108.816 108.800 0.127 0.000 2.418 410 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 410 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 410 G C 1.442 176.408 174.900 0.109 0.000 1.158 410 G CA 0.583 45.739 45.100 0.093 0.000 0.771 410 G HN 0.512 nan 8.290 nan 0.000 0.545 411 E N 0.163 120.452 120.200 0.150 0.000 2.358 411 E HA 0.110 4.460 4.350 -0.000 0.000 0.195 411 E C 1.711 178.359 176.600 0.080 0.000 1.010 411 E CA 0.782 57.265 56.400 0.137 0.000 0.856 411 E CB 0.139 29.954 29.700 0.190 0.000 0.795 411 E HN 0.512 nan 8.360 nan 0.000 0.504 412 G N 1.044 109.879 108.800 0.059 0.000 2.148 412 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.120 412 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.120 412 G C 0.002 174.837 174.900 -0.109 0.000 1.034 412 G CA -0.052 45.027 45.100 -0.034 0.000 0.710 412 G HN 0.098 nan 8.290 nan 0.000 0.495 413 M N 0.256 119.876 119.600 0.034 0.000 2.444 413 M HA 0.641 5.121 4.480 -0.000 0.000 0.319 413 M C 0.286 176.669 176.300 0.138 0.000 1.183 413 M CA -0.542 54.818 55.300 0.100 0.000 1.032 413 M CB 1.245 34.070 32.600 0.374 0.000 1.569 413 M HN 0.164 nan 8.290 nan 0.000 0.468 414 E N 0.682 120.974 120.200 0.154 0.000 2.266 414 E HA 0.079 4.429 4.350 -0.000 0.000 0.277 414 E C 0.154 176.873 176.600 0.197 0.000 1.018 414 E CA 0.032 56.514 56.400 0.137 0.000 0.840 414 E CB 1.126 30.892 29.700 0.110 0.000 1.082 414 E HN 0.597 nan 8.360 nan 0.000 0.395 415 E N 2.186 122.468 120.200 0.137 0.000 2.204 415 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 415 E C 1.565 178.286 176.600 0.201 0.000 0.990 415 E CA 0.932 57.414 56.400 0.137 0.000 0.821 415 E CB 0.052 29.786 29.700 0.056 0.000 0.750 415 E HN 0.815 nan 8.360 nan 0.000 0.477 416 G N 0.941 109.830 108.800 0.149 0.000 2.422 416 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.218 416 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.218 416 G C 1.354 176.323 174.900 0.115 0.000 1.146 416 G CA 0.651 45.822 45.100 0.117 0.000 0.769 416 G HN 0.280 nan 8.290 nan 0.000 0.547 417 E N -0.747 119.542 120.200 0.149 0.000 2.265 417 E HA -0.090 4.260 4.350 -0.000 0.000 0.196 417 E C 1.897 178.504 176.600 0.011 0.000 0.996 417 E CA 0.376 56.837 56.400 0.102 0.000 0.832 417 E CB -0.158 29.636 29.700 0.157 0.000 0.756 417 E HN 0.492 nan 8.360 nan 0.000 0.491 418 F N 0.036 119.944 119.950 -0.070 0.000 2.163 418 F HA -0.109 4.418 4.527 -0.000 0.000 0.297 418 F C 2.622 178.274 175.800 -0.247 0.000 1.094 418 F CA 1.018 58.918 58.000 -0.166 0.000 1.290 418 F CB -0.214 38.687 39.000 -0.164 0.000 1.017 418 F HN -0.031 nan 8.300 nan 0.000 0.483 419 S N -0.377 115.317 115.700 -0.010 0.000 2.344 419 S HA -0.246 4.224 4.470 -0.000 0.000 0.217 419 S C 2.051 176.551 174.600 -0.167 0.000 1.033 419 S CA 1.343 59.482 58.200 -0.101 0.000 1.017 419 S CB -0.581 62.615 63.200 -0.006 0.000 0.941 419 S HN 0.417 nan 8.310 nan 0.000 0.430 420 E N 1.128 121.250 120.200 -0.129 0.000 2.253 420 E HA -0.257 4.093 4.350 -0.000 0.000 0.202 420 E C 1.832 178.160 176.600 -0.452 0.000 1.014 420 E CA 1.322 57.605 56.400 -0.195 0.000 0.823 420 E CB -0.172 29.481 29.700 -0.077 0.000 0.736 420 E HN 0.473 nan 8.360 nan 0.000 0.478 421 A N 0.828 123.360 122.820 -0.480 0.000 1.887 421 A HA -0.029 4.291 4.320 -0.000 0.000 0.212 421 A C 2.151 179.353 177.584 -0.637 0.000 1.198 421 A CA 1.011 52.617 52.037 -0.719 0.000 0.628 421 A CB -0.314 18.416 19.000 -0.450 0.000 0.847 421 A HN 0.134 nan 8.150 nan 0.000 0.449 422 R N 0.519 120.668 120.500 -0.586 0.000 2.120 422 R HA -0.078 4.262 4.340 -0.000 0.000 0.234 422 R C 1.703 177.745 176.300 -0.430 0.000 1.123 422 R CA 1.624 57.335 56.100 -0.648 0.000 0.975 422 R CB -0.504 29.392 30.300 -0.674 0.000 0.866 422 R HN 0.472 nan 8.270 nan 0.000 0.446 423 E N 0.358 120.341 120.200 -0.362 0.000 2.160 423 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 423 E C 1.146 177.581 176.600 -0.276 0.000 0.991 423 E CA 1.357 57.596 56.400 -0.268 0.000 0.810 423 E CB -0.184 29.381 29.700 -0.224 0.000 0.742 423 E HN 0.390 nan 8.360 nan 0.000 0.466 424 D N -0.595 119.576 120.400 -0.382 0.000 2.183 424 D HA -0.032 4.608 4.640 -0.000 0.000 0.205 424 D C 1.766 177.897 176.300 -0.282 0.000 0.962 424 D CA 0.478 54.288 54.000 -0.316 0.000 0.849 424 D CB 0.132 40.709 40.800 -0.372 0.000 0.978 424 D HN 0.026 nan 8.370 nan 0.000 0.488 425 M N 0.194 119.586 119.600 -0.346 0.000 2.296 425 M HA 0.029 4.509 4.480 -0.000 0.000 0.265 425 M C 2.101 178.264 176.300 -0.228 0.000 1.064 425 M CA 0.518 55.617 55.300 -0.336 0.000 1.109 425 M CB -0.786 31.577 32.600 -0.395 0.000 1.396 425 M HN 0.016 nan 8.290 nan 0.000 0.430 426 A N 0.303 123.002 122.820 -0.202 0.000 1.898 426 A HA 0.060 4.380 4.320 -0.000 0.000 0.216 426 A C 2.441 179.967 177.584 -0.097 0.000 1.181 426 A CA 1.832 53.793 52.037 -0.126 0.000 0.620 426 A CB -0.782 18.148 19.000 -0.116 0.000 0.819 426 A HN 0.437 nan 8.150 nan 0.000 0.442 427 A N -0.313 122.436 122.820 -0.119 0.000 1.858 427 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 427 A C 2.181 179.718 177.584 -0.077 0.000 1.190 427 A CA 1.680 53.661 52.037 -0.092 0.000 0.617 427 A CB -0.792 18.146 19.000 -0.104 0.000 0.827 427 A HN 0.669 nan 8.150 nan 0.000 0.443 428 L N -0.012 121.143 121.223 -0.113 0.000 1.990 428 L HA -0.224 4.116 4.340 -0.000 0.000 0.213 428 L C 2.321 179.220 176.870 0.048 0.000 1.072 428 L CA 2.537 57.328 54.840 -0.082 0.000 0.755 428 L CB -0.558 41.365 42.059 -0.227 0.000 0.889 428 L HN 0.520 nan 8.230 nan 0.000 0.432 429 E N -0.692 119.516 120.200 0.012 0.000 2.219 429 E HA -0.274 4.076 4.350 -0.000 0.000 0.198 429 E C 2.092 178.755 176.600 0.105 0.000 0.998 429 E CA 1.075 57.531 56.400 0.094 0.000 0.818 429 E CB -0.037 29.690 29.700 0.044 0.000 0.741 429 E HN 0.420 nan 8.360 nan 0.000 0.477 430 K N 0.645 121.072 120.400 0.047 0.000 2.021 430 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 430 K C 1.617 178.239 176.600 0.036 0.000 1.047 430 K CA 1.005 57.311 56.287 0.032 0.000 0.943 430 K CB 0.053 32.550 32.500 -0.004 0.000 0.725 430 K HN 0.041 nan 8.250 nan 0.000 0.439 431 D N 0.124 120.530 120.400 0.009 0.000 2.106 431 D HA -0.205 4.435 4.640 -0.000 0.000 0.191 431 D C 1.973 178.266 176.300 -0.012 0.000 0.997 431 D CA 1.356 55.330 54.000 -0.044 0.000 0.834 431 D CB -0.548 40.191 40.800 -0.101 0.000 0.956 431 D HN 0.226 nan 8.370 nan 0.000 0.448 432 Y N 1.343 121.677 120.300 0.057 0.000 2.081 432 Y HA -0.210 4.340 4.550 -0.000 0.000 0.280 432 Y C 2.603 178.548 175.900 0.074 0.000 1.163 432 Y CA 1.716 59.883 58.100 0.112 0.000 1.135 432 Y CB -0.053 38.491 38.460 0.140 0.000 0.970 432 Y HN 0.004 nan 8.280 nan 0.000 0.498 433 E N 0.153 120.483 120.200 0.216 0.000 2.204 433 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 433 E C 1.813 178.457 176.600 0.074 0.000 0.990 433 E CA 0.982 57.456 56.400 0.123 0.000 0.821 433 E CB -0.043 29.713 29.700 0.094 0.000 0.750 433 E HN 0.582 nan 8.360 nan 0.000 0.477 434 E N -0.240 119.990 120.200 0.051 0.000 2.268 434 E HA -0.111 4.239 4.350 -0.000 0.000 0.195 434 E C 1.927 178.545 176.600 0.030 0.000 0.995 434 E CA 0.482 56.893 56.400 0.018 0.000 0.836 434 E CB 0.340 30.026 29.700 -0.024 0.000 0.763 434 E HN 0.142 nan 8.360 nan 0.000 0.491 435 V N 0.833 120.777 119.914 0.049 0.000 2.809 435 V HA -0.068 4.052 4.120 -0.000 0.000 0.256 435 V C 1.363 177.564 176.094 0.179 0.000 1.080 435 V CA 0.865 63.246 62.300 0.136 0.000 1.102 435 V CB -0.534 31.376 31.823 0.144 0.000 0.705 435 V HN 0.180 nan 8.190 nan 0.000 0.475 436 G N 0.606 109.460 108.800 0.091 0.000 2.265 436 G HA2 0.295 4.255 3.960 -0.000 0.000 0.240 436 G HA3 0.295 4.255 3.960 -0.000 0.000 0.240 436 G C 0.251 175.186 174.900 0.058 0.000 1.270 436 G CA 0.095 45.220 45.100 0.042 0.000 0.901 436 G HN 0.107 nan 8.290 nan 0.000 0.507 437 V N 0.000 119.930 119.914 0.026 0.000 2.409 437 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 437 V CA 0.000 62.324 62.300 0.041 0.000 1.235 437 V CB 0.000 31.827 31.823 0.007 0.000 1.184 437 V HN 0.000 nan 8.190 nan 0.000 0.556