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 3ghy_1_A DATA FIRST_RESID 0 DATA SEQUENCE SLTRICIVGA GAVGGYLGAR LALAGEAINV LARGATLQAL QTAGLRLTED DATA SEQUENCE GATHTLPVRA THDAAALGEQ DVVIVAVKAP ALESVAAGIA PLIGPGTCVV DATA SEQUENCE VAMNGVPWWF FDRPGPLQGQ RLQAVDPHGR IAQAIPTRHV LGCVVHLTCA DATA SEQUENCE TVSPGHIRHG NGRRLILGEP AGGASPRLAS IAALFGRAGL QAECSEAIQR DATA SEQUENCE DIWFKLWGNM TMNPVSVLTG ATCDRILDDP LVSAFCLAVM AEAKAIGARI DATA SEQUENCE GCPIEQSGEA RSAVTRQLGA FKTSMLQXXX XXRGPLEIDA LVASVREIGL DATA SEQUENCE HVGVPTPQID TLLGLVRLHA QTRGLY 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.577 174.600 -0.039 0.000 1.055 0 S CA 0.000 58.181 58.200 -0.032 0.000 1.107 0 S CB 0.000 63.182 63.200 -0.030 0.000 0.593 1 L N 3.242 124.434 121.223 -0.052 0.000 2.466 1 L HA 0.329 4.669 4.340 0.000 0.000 0.248 1 L C 0.820 177.654 176.870 -0.059 0.000 1.240 1 L CA -0.180 54.621 54.840 -0.065 0.000 1.180 1 L CB -0.203 41.798 42.059 -0.098 0.000 1.413 1 L HN 0.670 nan 8.230 nan 0.000 0.406 2 T N -1.013 113.515 114.554 -0.043 0.000 3.046 2 T HA 0.120 4.470 4.350 0.000 0.000 0.242 2 T C 0.958 175.639 174.700 -0.031 0.000 1.018 2 T CA 0.347 62.426 62.100 -0.036 0.000 1.131 2 T CB 0.211 69.062 68.868 -0.028 0.000 0.904 2 T HN 0.356 nan 8.240 nan 0.000 0.459 3 R N 1.324 121.807 120.500 -0.028 0.000 2.204 3 R HA 0.559 4.900 4.340 0.000 0.000 0.341 3 R C -1.148 175.138 176.300 -0.023 0.000 1.035 3 R CA -0.087 56.000 56.100 -0.022 0.000 0.887 3 R CB 0.533 30.822 30.300 -0.019 0.000 1.114 3 R HN 0.281 nan 8.270 nan 0.000 0.473 4 I N 2.271 122.830 120.570 -0.019 0.000 2.436 4 I HA 0.298 4.468 4.170 0.000 0.000 0.289 4 I C -0.572 175.546 176.117 0.001 0.000 1.010 4 I CA -0.750 60.541 61.300 -0.015 0.000 1.098 4 I CB 1.959 39.945 38.000 -0.023 0.000 1.266 4 I HN 0.564 nan 8.210 nan 0.000 0.434 5 C N 7.698 127.005 119.300 0.012 0.000 2.498 5 C HA 0.635 5.096 4.460 0.000 0.000 0.316 5 C C -0.566 174.449 174.990 0.041 0.000 1.209 5 C CA -0.497 58.533 59.018 0.021 0.000 1.518 5 C CB 0.831 28.578 27.740 0.013 0.000 2.147 5 C HN 0.547 nan 8.230 nan 0.000 0.483 6 I N 6.268 126.865 120.570 0.046 0.000 2.354 6 I HA 0.305 4.475 4.170 0.000 0.000 0.292 6 I C 0.103 176.255 176.117 0.057 0.000 0.989 6 I CA -0.458 60.880 61.300 0.062 0.000 1.188 6 I CB 1.364 39.403 38.000 0.066 0.000 1.342 6 I HN 0.318 nan 8.210 nan 0.000 0.457 7 V N 6.048 126.001 119.914 0.065 0.000 2.405 7 V HA 0.579 4.699 4.120 0.000 0.000 0.264 7 V C 0.892 177.024 176.094 0.062 0.000 1.048 7 V CA 0.125 62.460 62.300 0.059 0.000 0.966 7 V CB -0.029 31.830 31.823 0.060 0.000 1.015 7 V HN 1.121 nan 8.190 nan 0.000 0.477 8 G N 4.490 113.324 108.800 0.057 0.000 2.828 8 G HA2 0.188 4.148 3.960 0.000 0.000 0.463 8 G HA3 0.188 4.148 3.960 0.000 0.000 0.463 8 G C 0.035 174.974 174.900 0.064 0.000 1.394 8 G CA -0.103 45.032 45.100 0.058 0.000 0.862 8 G HN 1.783 nan 8.290 nan 0.000 0.540 9 A N 0.378 123.237 122.820 0.066 0.000 2.956 9 A HA 0.796 5.116 4.320 0.000 0.000 0.294 9 A C 1.152 178.783 177.584 0.078 0.000 0.993 9 A CA 1.113 53.195 52.037 0.075 0.000 1.032 9 A CB -0.220 18.825 19.000 0.076 0.000 1.129 9 A HN 2.291 nan 8.150 nan 0.000 0.505 10 G N -0.988 107.856 108.800 0.074 0.000 2.570 10 G HA2 0.417 4.377 3.960 0.000 0.000 0.276 10 G HA3 0.417 4.377 3.960 0.000 0.000 0.276 10 G C 1.255 176.202 174.900 0.080 0.000 1.346 10 G CA 0.152 45.293 45.100 0.069 0.000 1.034 10 G HN 0.817 nan 8.290 nan 0.000 0.512 11 A N -1.245 121.614 122.820 0.065 0.000 1.851 11 A HA -0.049 4.271 4.320 0.000 0.000 0.216 11 A C 2.539 180.184 177.584 0.102 0.000 1.195 11 A CA 2.437 54.513 52.037 0.064 0.000 0.622 11 A CB -0.860 18.159 19.000 0.031 0.000 0.831 11 A HN 0.527 nan 8.150 nan 0.000 0.444 12 V N -0.436 119.534 119.914 0.093 0.000 2.273 12 V HA -0.051 4.070 4.120 0.000 0.000 0.242 12 V C 2.874 179.052 176.094 0.141 0.000 1.035 12 V CA 1.779 64.149 62.300 0.116 0.000 1.013 12 V CB -1.590 30.277 31.823 0.074 0.000 0.652 12 V HN 0.611 nan 8.190 nan 0.000 0.452 13 G N 0.331 109.197 108.800 0.111 0.000 2.446 13 G HA2 -0.200 3.760 3.960 0.000 0.000 0.217 13 G HA3 -0.200 3.760 3.960 0.000 0.000 0.217 13 G C 1.633 176.598 174.900 0.108 0.000 1.168 13 G CA 1.075 46.238 45.100 0.105 0.000 0.771 13 G HN 0.596 nan 8.290 nan 0.000 0.551 14 G N -0.586 108.284 108.800 0.117 0.000 2.432 14 G HA2 -0.218 3.742 3.960 0.000 0.000 0.219 14 G HA3 -0.218 3.742 3.960 0.000 0.000 0.219 14 G C 1.633 176.620 174.900 0.146 0.000 1.135 14 G CA 1.106 46.278 45.100 0.119 0.000 0.767 14 G HN 0.434 nan 8.290 nan 0.000 0.550 15 Y N 1.160 121.491 120.300 0.053 0.000 2.184 15 Y HA 0.063 4.614 4.550 0.000 0.000 0.290 15 Y C 2.607 178.527 175.900 0.034 0.000 1.129 15 Y CA 0.975 59.104 58.100 0.048 0.000 1.144 15 Y CB -0.346 38.147 38.460 0.054 0.000 0.995 15 Y HN 0.088 nan 8.280 nan 0.000 0.513 16 L N -0.526 120.678 121.223 -0.032 0.000 2.013 16 L HA -0.236 4.104 4.340 0.000 0.000 0.212 16 L C 2.675 179.518 176.870 -0.045 0.000 1.073 16 L CA 1.543 56.328 54.840 -0.091 0.000 0.753 16 L CB -1.418 40.645 42.059 0.007 0.000 0.890 16 L HN 0.414 nan 8.230 nan 0.000 0.432 17 G N -0.502 108.302 108.800 0.007 0.000 2.418 17 G HA2 -0.225 3.735 3.960 0.000 0.000 0.217 17 G HA3 -0.225 3.735 3.960 0.000 0.000 0.217 17 G C 1.774 176.656 174.900 -0.029 0.000 1.158 17 G CA 0.834 45.944 45.100 0.015 0.000 0.771 17 G HN 0.481 nan 8.290 nan 0.000 0.545 18 A N 0.628 123.411 122.820 -0.062 0.000 1.898 18 A HA 0.009 4.329 4.320 0.000 0.000 0.216 18 A C 2.509 179.996 177.584 -0.163 0.000 1.181 18 A CA 1.522 53.513 52.037 -0.078 0.000 0.620 18 A CB -0.297 18.689 19.000 -0.023 0.000 0.819 18 A HN 0.199 nan 8.150 nan 0.000 0.442 19 R N -0.163 120.161 120.500 -0.294 0.000 2.081 19 R HA -0.058 4.282 4.340 0.000 0.000 0.235 19 R C 2.058 178.280 176.300 -0.129 0.000 1.131 19 R CA 1.289 57.222 56.100 -0.279 0.000 0.960 19 R CB -1.236 28.828 30.300 -0.394 0.000 0.856 19 R HN 0.606 nan 8.270 nan 0.000 0.436 20 L N 0.143 121.325 121.223 -0.068 0.000 2.017 20 L HA -0.127 4.213 4.340 0.000 0.000 0.208 20 L C 2.630 179.475 176.870 -0.041 0.000 1.073 20 L CA 1.470 56.295 54.840 -0.025 0.000 0.745 20 L CB -0.707 41.359 42.059 0.012 0.000 0.894 20 L HN 0.144 nan 8.230 nan 0.000 0.432 21 A N -0.024 122.769 122.820 -0.044 0.000 1.908 21 A HA -0.202 4.119 4.320 0.000 0.000 0.218 21 A C 2.289 179.838 177.584 -0.058 0.000 1.181 21 A CA 1.547 53.561 52.037 -0.039 0.000 0.627 21 A CB -0.778 18.207 19.000 -0.025 0.000 0.818 21 A HN 0.365 nan 8.150 nan 0.000 0.445 22 L N -0.895 120.272 121.223 -0.094 0.000 2.083 22 L HA -0.198 4.142 4.340 0.000 0.000 0.209 22 L C 2.870 179.686 176.870 -0.089 0.000 1.083 22 L CA 1.024 55.788 54.840 -0.127 0.000 0.752 22 L CB -0.334 41.603 42.059 -0.203 0.000 0.899 22 L HN 0.445 nan 8.230 nan 0.000 0.433 23 A N -0.779 121.998 122.820 -0.071 0.000 2.239 23 A HA 0.157 4.477 4.320 0.000 0.000 0.209 23 A C 1.672 179.234 177.584 -0.038 0.000 1.171 23 A CA 0.921 52.929 52.037 -0.048 0.000 0.768 23 A CB -0.538 18.439 19.000 -0.038 0.000 0.790 23 A HN 0.580 nan 8.150 nan 0.000 0.478 24 G N -1.007 107.770 108.800 -0.038 0.000 2.141 24 G HA2 -0.168 3.792 3.960 0.000 0.000 0.231 24 G HA3 -0.168 3.792 3.960 0.000 0.000 0.231 24 G C -0.248 174.637 174.900 -0.025 0.000 0.984 24 G CA 0.114 45.197 45.100 -0.028 0.000 0.660 24 G HN 0.447 nan 8.290 nan 0.000 0.525 25 E N 0.280 120.463 120.200 -0.028 0.000 2.366 25 E HA 0.565 4.915 4.350 0.000 0.000 0.266 25 E C 0.728 177.316 176.600 -0.020 0.000 1.051 25 E CA 0.338 56.722 56.400 -0.027 0.000 0.884 25 E CB 1.168 30.849 29.700 -0.032 0.000 1.006 25 E HN 0.833 nan 8.360 nan 0.000 0.417 26 A N 2.995 125.804 122.820 -0.018 0.000 2.404 26 A HA 0.405 4.725 4.320 0.000 0.000 0.273 26 A C 0.114 177.692 177.584 -0.011 0.000 1.144 26 A CA -0.342 51.687 52.037 -0.013 0.000 0.806 26 A CB -0.518 18.475 19.000 -0.012 0.000 1.080 26 A HN 0.530 nan 8.150 nan 0.000 0.509 27 I N 0.865 121.432 120.570 -0.005 0.000 2.509 27 I HA 0.565 4.735 4.170 0.000 0.000 0.293 27 I C -0.891 175.229 176.117 0.006 0.000 1.020 27 I CA -0.839 60.461 61.300 0.001 0.000 1.088 27 I CB 2.053 40.056 38.000 0.006 0.000 1.267 27 I HN 0.418 nan 8.210 nan 0.000 0.430 28 N N 4.984 123.689 118.700 0.007 0.000 2.456 28 N HA 0.620 5.360 4.740 0.000 0.000 0.296 28 N C -1.199 174.322 175.510 0.018 0.000 1.102 28 N CA -0.476 52.579 53.050 0.008 0.000 0.924 28 N CB 2.463 40.951 38.487 0.001 0.000 1.186 28 N HN 0.517 nan 8.380 nan 0.000 0.492 29 V N 1.951 121.877 119.914 0.021 0.000 2.531 29 V HA 0.312 4.432 4.120 0.000 0.000 0.301 29 V C -0.275 175.836 176.094 0.028 0.000 1.034 29 V CA -0.873 61.445 62.300 0.031 0.000 0.865 29 V CB 1.899 33.745 31.823 0.039 0.000 0.995 29 V HN 0.445 nan 8.190 nan 0.000 0.424 30 L N 5.049 126.291 121.223 0.031 0.000 2.261 30 L HA 0.806 5.146 4.340 0.000 0.000 0.289 30 L C 0.251 177.151 176.870 0.048 0.000 1.059 30 L CA 0.481 55.341 54.840 0.033 0.000 0.816 30 L CB 0.434 42.510 42.059 0.028 0.000 1.191 30 L HN 0.871 nan 8.230 nan 0.000 0.431 31 A N 5.436 128.292 122.820 0.060 0.000 2.515 31 A HA 0.929 5.249 4.320 0.000 0.000 0.296 31 A C -0.655 176.978 177.584 0.080 0.000 1.094 31 A CA -0.832 51.243 52.037 0.064 0.000 0.718 31 A CB 1.377 20.412 19.000 0.059 0.000 1.307 31 A HN 0.703 nan 8.150 nan 0.000 0.408 32 R N -0.146 120.390 120.500 0.060 0.000 2.943 32 R HA 0.787 5.127 4.340 0.000 0.000 0.246 32 R C 1.032 177.350 176.300 0.029 0.000 1.201 32 R CA 0.038 56.165 56.100 0.045 0.000 1.056 32 R CB 0.795 31.112 30.300 0.029 0.000 1.243 32 R HN 1.829 nan 8.270 nan 0.000 0.498 33 G N 0.479 109.284 108.800 0.008 0.000 2.652 33 G HA2 -0.418 3.542 3.960 0.000 0.000 0.318 33 G HA3 -0.418 3.542 3.960 0.000 0.000 0.318 33 G C 0.804 175.713 174.900 0.015 0.000 1.295 33 G CA 0.723 45.825 45.100 0.005 0.000 0.999 33 G HN 0.719 nan 8.290 nan 0.000 0.548 34 A N -2.013 120.818 122.820 0.018 0.000 2.016 34 A HA 0.289 4.609 4.320 0.000 0.000 0.217 34 A C 2.521 180.124 177.584 0.032 0.000 1.162 34 A CA 2.539 54.590 52.037 0.023 0.000 0.662 34 A CB -0.633 18.380 19.000 0.021 0.000 0.812 34 A HN 1.013 nan 8.150 nan 0.000 0.450 35 T N 0.372 114.948 114.554 0.037 0.000 2.746 35 T HA -0.144 4.206 4.350 0.000 0.000 0.267 35 T C 1.823 176.551 174.700 0.047 0.000 1.039 35 T CA 1.566 63.693 62.100 0.046 0.000 1.142 35 T CB -0.350 68.547 68.868 0.048 0.000 0.866 35 T HN 0.303 nan 8.240 nan 0.000 0.444 36 L N 1.219 122.469 121.223 0.046 0.000 2.012 36 L HA -0.088 4.252 4.340 0.000 0.000 0.210 36 L C 2.529 179.426 176.870 0.045 0.000 1.073 36 L CA 1.806 56.677 54.840 0.052 0.000 0.748 36 L CB -0.795 41.303 42.059 0.064 0.000 0.891 36 L HN 0.126 nan 8.230 nan 0.000 0.431 37 Q N -0.668 119.154 119.800 0.037 0.000 2.084 37 Q HA -0.159 4.181 4.340 0.000 0.000 0.202 37 Q C 2.198 178.216 176.000 0.029 0.000 0.978 37 Q CA 1.815 57.636 55.803 0.031 0.000 0.844 37 Q CB -0.321 28.432 28.738 0.024 0.000 0.898 37 Q HN 0.674 nan 8.270 nan 0.000 0.426 38 A N 0.365 123.204 122.820 0.032 0.000 1.930 38 A HA -0.119 4.201 4.320 0.000 0.000 0.217 38 A C 2.201 179.804 177.584 0.033 0.000 1.175 38 A CA 0.937 52.993 52.037 0.032 0.000 0.627 38 A CB -0.573 18.451 19.000 0.041 0.000 0.815 38 A HN 0.337 nan 8.150 nan 0.000 0.443 39 L N -1.096 120.150 121.223 0.039 0.000 2.109 39 L HA -0.190 4.150 4.340 0.000 0.000 0.207 39 L C 2.813 179.702 176.870 0.031 0.000 1.086 39 L CA 1.276 56.140 54.840 0.039 0.000 0.760 39 L CB -0.441 41.644 42.059 0.045 0.000 0.910 39 L HN 0.461 nan 8.230 nan 0.000 0.437 40 Q N -0.812 119.006 119.800 0.031 0.000 2.230 40 Q HA -0.138 4.202 4.340 0.000 0.000 0.202 40 Q C 2.146 178.158 176.000 0.021 0.000 0.963 40 Q CA 1.953 57.772 55.803 0.026 0.000 0.866 40 Q CB 0.046 28.802 28.738 0.030 0.000 0.931 40 Q HN 0.643 nan 8.270 nan 0.000 0.452 41 T N -2.561 112.005 114.554 0.019 0.000 2.953 41 T HA 0.211 4.561 4.350 0.000 0.000 0.247 41 T C 1.841 176.548 174.700 0.010 0.000 1.029 41 T CA 0.559 62.667 62.100 0.014 0.000 1.144 41 T CB -0.011 68.865 68.868 0.013 0.000 0.870 41 T HN 0.168 nan 8.240 nan 0.000 0.446 42 A N 1.104 123.931 122.820 0.010 0.000 2.063 42 A HA 0.688 5.008 4.320 0.000 0.000 0.211 42 A C 1.458 179.047 177.584 0.008 0.000 1.177 42 A CA 0.699 52.738 52.037 0.003 0.000 0.759 42 A CB -0.553 18.443 19.000 -0.007 0.000 0.857 42 A HN 1.339 nan 8.150 nan 0.000 0.468 43 G N -1.434 107.377 108.800 0.018 0.000 2.549 43 G HA2 0.160 4.120 3.960 0.000 0.000 0.404 43 G HA3 0.160 4.120 3.960 0.000 0.000 0.404 43 G C -0.729 174.194 174.900 0.037 0.000 1.292 43 G CA -0.300 44.815 45.100 0.026 0.000 0.935 43 G HN 1.126 nan 8.290 nan 0.000 0.512 44 L N 0.224 121.476 121.223 0.047 0.000 2.326 44 L HA 0.830 5.170 4.340 0.000 0.000 0.278 44 L C 0.651 177.572 176.870 0.085 0.000 1.092 44 L CA -0.312 54.569 54.840 0.069 0.000 0.810 44 L CB 0.949 43.047 42.059 0.066 0.000 1.153 44 L HN 0.642 nan 8.230 nan 0.000 0.439 45 R N 4.336 124.909 120.500 0.121 0.000 2.387 45 R HA 0.672 5.012 4.340 0.000 0.000 0.314 45 R C -1.528 174.957 176.300 0.308 0.000 0.958 45 R CA -0.668 55.519 56.100 0.145 0.000 0.846 45 R CB 1.577 31.859 30.300 -0.031 0.000 1.147 45 R HN 0.564 nan 8.270 nan 0.000 0.447 46 L N 1.947 123.345 121.223 0.292 0.000 2.376 46 L HA 0.468 4.808 4.340 0.000 0.000 0.275 46 L C -1.032 176.041 176.870 0.339 0.000 0.987 46 L CA 0.066 55.103 54.840 0.330 0.000 0.828 46 L CB 2.268 44.496 42.059 0.282 0.000 1.249 46 L HN 0.535 nan 8.230 nan 0.000 0.409 47 T N 4.705 119.447 114.554 0.314 0.000 2.743 47 T HA 0.531 4.881 4.350 0.000 0.000 0.292 47 T C -0.687 174.142 174.700 0.215 0.000 0.972 47 T CA -0.243 61.998 62.100 0.235 0.000 0.967 47 T CB 0.629 69.629 68.868 0.220 0.000 0.926 47 T HN 0.668 nan 8.240 nan 0.000 0.459 48 E N 2.473 122.803 120.200 0.217 0.000 2.343 48 E HA 0.328 4.678 4.350 0.000 0.000 0.278 48 E C -1.046 175.654 176.600 0.166 0.000 0.910 48 E CA -0.687 55.848 56.400 0.224 0.000 0.757 48 E CB 0.968 30.798 29.700 0.217 0.000 1.218 48 E HN 0.445 nan 8.360 nan 0.000 0.435 49 D N 3.041 123.532 120.400 0.151 0.000 2.751 49 D HA -0.198 4.442 4.640 0.000 0.000 0.233 49 D C 0.688 177.029 176.300 0.067 0.000 1.149 49 D CA 1.735 55.796 54.000 0.101 0.000 0.682 49 D CB -1.485 39.373 40.800 0.096 0.000 1.068 49 D HN 0.992 nan 8.370 nan 0.000 0.429 50 G N -1.520 107.316 108.800 0.060 0.000 2.166 50 G HA2 -0.065 3.895 3.960 0.000 0.000 0.260 50 G HA3 -0.065 3.895 3.960 0.000 0.000 0.260 50 G C 0.353 175.261 174.900 0.014 0.000 0.986 50 G CA 0.822 45.944 45.100 0.036 0.000 0.683 50 G HN 1.324 nan 8.290 nan 0.000 0.527 51 A N -0.573 122.247 122.820 0.001 0.000 2.365 51 A HA 0.868 5.188 4.320 0.000 0.000 0.318 51 A C 0.047 177.528 177.584 -0.172 0.000 1.091 51 A CA 0.314 52.293 52.037 -0.097 0.000 0.763 51 A CB 1.504 20.424 19.000 -0.133 0.000 1.248 51 A HN 0.660 nan 8.150 nan 0.000 0.442 52 T N 2.921 117.346 114.554 -0.216 0.000 2.794 52 T HA 0.555 4.905 4.350 0.000 0.000 0.280 52 T C -0.685 173.819 174.700 -0.326 0.000 0.987 52 T CA -0.236 61.768 62.100 -0.160 0.000 0.993 52 T CB 0.438 69.283 68.868 -0.037 0.000 0.939 52 T HN 0.605 nan 8.240 nan 0.000 0.449 53 H N 1.720 120.821 119.070 0.053 0.000 2.489 53 H HA 0.426 4.982 4.556 0.000 0.000 0.343 53 H C 0.088 175.429 175.328 0.022 0.000 1.086 53 H CA -0.676 55.391 56.048 0.032 0.000 1.198 53 H CB 1.609 31.393 29.762 0.036 0.000 1.490 53 H HN 0.656 nan 8.280 nan 0.000 0.504 54 T N 1.523 116.143 114.554 0.111 0.000 2.743 54 T HA 0.517 4.867 4.350 0.000 0.000 0.292 54 T C -0.009 174.731 174.700 0.067 0.000 0.972 54 T CA -0.877 61.260 62.100 0.063 0.000 0.967 54 T CB 0.043 68.923 68.868 0.020 0.000 0.926 54 T HN 0.312 nan 8.240 nan 0.000 0.459 55 L N 5.327 126.585 121.223 0.059 0.000 2.295 55 L HA 0.417 4.757 4.340 0.000 0.000 0.281 55 L C -2.412 174.475 176.870 0.029 0.000 1.018 55 L CA -2.422 52.442 54.840 0.040 0.000 0.841 55 L CB 1.520 43.599 42.059 0.032 0.000 1.218 55 L HN 0.404 nan 8.230 nan 0.000 0.424 56 P HA 0.011 nan 4.420 nan 0.000 0.261 56 P C -0.656 176.652 177.300 0.014 0.000 1.183 56 P CA 0.084 63.194 63.100 0.016 0.000 0.761 56 P CB 0.694 32.401 31.700 0.012 0.000 0.785 57 V N 1.281 121.204 119.914 0.016 0.000 3.141 57 V HA 0.601 4.721 4.120 0.000 0.000 0.312 57 V C -0.288 175.813 176.094 0.012 0.000 1.157 57 V CA -1.319 60.990 62.300 0.015 0.000 1.041 57 V CB 2.463 34.300 31.823 0.022 0.000 1.071 57 V HN 0.309 nan 8.190 nan 0.000 0.441 58 R N 1.505 122.011 120.500 0.009 0.000 2.280 58 R HA 0.740 5.080 4.340 0.000 0.000 0.326 58 R C -0.334 175.971 176.300 0.008 0.000 1.080 58 R CA 0.020 56.123 56.100 0.005 0.000 1.002 58 R CB 0.599 30.898 30.300 -0.002 0.000 1.136 58 R HN 1.162 nan 8.270 nan 0.000 0.509 59 A N 3.076 125.904 122.820 0.014 0.000 2.304 59 A HA 0.561 4.881 4.320 0.000 0.000 0.323 59 A C -0.511 177.083 177.584 0.017 0.000 1.195 59 A CA -0.429 51.620 52.037 0.021 0.000 0.826 59 A CB 1.779 20.799 19.000 0.033 0.000 1.184 59 A HN 0.650 nan 8.150 nan 0.000 0.496 60 T N -0.052 114.508 114.554 0.011 0.000 2.840 60 T HA 0.444 4.794 4.350 0.000 0.000 0.317 60 T C 0.455 175.158 174.700 0.005 0.000 1.401 60 T CA 0.027 62.116 62.100 -0.018 0.000 1.028 60 T CB 0.839 69.653 68.868 -0.090 0.000 1.317 60 T HN 0.982 nan 8.240 nan 0.000 0.495 61 H N 0.808 119.883 119.070 0.009 0.000 2.544 61 H HA 0.370 4.926 4.556 0.000 0.000 0.269 61 H C 0.365 175.696 175.328 0.005 0.000 0.970 61 H CA 0.190 56.243 56.048 0.008 0.000 1.219 61 H CB 0.222 29.988 29.762 0.007 0.000 1.421 61 H HN 0.338 nan 8.280 nan 0.000 0.555 62 D N 0.997 121.077 120.400 -0.534 0.000 2.441 62 D HA 0.224 4.864 4.640 0.000 0.000 0.221 62 D C 1.137 177.344 176.300 -0.154 0.000 1.156 62 D CA 0.189 53.969 54.000 -0.367 0.000 0.896 62 D CB 0.819 41.349 40.800 -0.450 0.000 1.028 62 D HN 0.434 nan 8.370 nan 0.000 0.509 63 A N 3.804 126.578 122.820 -0.077 0.000 1.969 63 A HA -0.001 4.319 4.320 0.000 0.000 0.218 63 A C 2.105 179.663 177.584 -0.044 0.000 1.169 63 A CA 1.534 53.544 52.037 -0.045 0.000 0.635 63 A CB -0.370 18.617 19.000 -0.022 0.000 0.810 63 A HN 0.602 nan 8.150 nan 0.000 0.445 64 A N 0.053 122.846 122.820 -0.046 0.000 1.902 64 A HA 0.154 4.474 4.320 0.000 0.000 0.217 64 A C 2.487 180.047 177.584 -0.040 0.000 1.181 64 A CA 1.967 53.982 52.037 -0.036 0.000 0.623 64 A CB -1.002 17.980 19.000 -0.028 0.000 0.818 64 A HN 1.064 nan 8.150 nan 0.000 0.443 65 A N -0.404 122.382 122.820 -0.057 0.000 1.978 65 A HA -0.051 4.269 4.320 0.000 0.000 0.220 65 A C 2.170 179.728 177.584 -0.043 0.000 1.170 65 A CA 1.528 53.532 52.037 -0.054 0.000 0.636 65 A CB -0.510 18.444 19.000 -0.076 0.000 0.810 65 A HN 0.489 nan 8.150 nan 0.000 0.448 66 L N -1.612 119.585 121.223 -0.044 0.000 2.044 66 L HA 0.191 4.532 4.340 0.000 0.000 0.205 66 L C 1.629 178.484 176.870 -0.026 0.000 1.075 66 L CA 0.753 55.574 54.840 -0.033 0.000 0.747 66 L CB -1.053 40.987 42.059 -0.030 0.000 0.903 66 L HN 0.676 nan 8.230 nan 0.000 0.435 67 G N 0.071 108.856 108.800 -0.026 0.000 2.725 67 G HA2 -0.223 3.737 3.960 0.000 0.000 0.220 67 G HA3 -0.223 3.737 3.960 0.000 0.000 0.220 67 G C -0.502 174.385 174.900 -0.022 0.000 1.357 67 G CA -0.643 44.444 45.100 -0.022 0.000 0.866 67 G HN 0.297 nan 8.290 nan 0.000 0.548 68 E N 0.860 121.048 120.200 -0.020 0.000 2.452 68 E HA 0.243 4.593 4.350 0.000 0.000 0.261 68 E C 0.435 177.023 176.600 -0.020 0.000 0.987 68 E CA 0.339 56.726 56.400 -0.022 0.000 0.926 68 E CB 0.395 30.086 29.700 -0.016 0.000 0.934 68 E HN 0.428 nan 8.360 nan 0.000 0.452 69 Q N 1.927 121.713 119.800 -0.022 0.000 2.359 69 Q HA 0.178 4.519 4.340 0.000 0.000 0.275 69 Q C 0.033 176.024 176.000 -0.016 0.000 1.082 69 Q CA -0.612 55.180 55.803 -0.018 0.000 0.849 69 Q CB 1.338 30.067 28.738 -0.016 0.000 1.377 69 Q HN 0.484 nan 8.270 nan 0.000 0.452 70 D N -0.314 120.075 120.400 -0.019 0.000 2.201 70 D HA 0.058 4.698 4.640 0.000 0.000 0.209 70 D C 0.143 176.430 176.300 -0.023 0.000 0.961 70 D CA 0.970 54.958 54.000 -0.020 0.000 0.861 70 D CB 0.828 41.610 40.800 -0.030 0.000 0.997 70 D HN 0.114 nan 8.370 nan 0.000 0.486 71 V N 1.661 121.558 119.914 -0.028 0.000 2.525 71 V HA 0.301 4.421 4.120 0.000 0.000 0.299 71 V C -0.264 175.830 176.094 0.001 0.000 1.034 71 V CA -0.790 61.495 62.300 -0.026 0.000 0.863 71 V CB 2.686 34.466 31.823 -0.072 0.000 0.999 71 V HN -0.247 nan 8.190 nan 0.000 0.423 72 V N 6.100 126.028 119.914 0.023 0.000 2.384 72 V HA 0.510 4.630 4.120 0.000 0.000 0.287 72 V C -0.179 175.965 176.094 0.084 0.000 1.020 72 V CA -0.400 61.925 62.300 0.043 0.000 0.850 72 V CB 1.848 33.690 31.823 0.031 0.000 0.987 72 V HN 0.710 nan 8.190 nan 0.000 0.436 73 I N 5.420 126.051 120.570 0.101 0.000 2.307 73 I HA 0.345 4.516 4.170 0.000 0.000 0.289 73 I C -0.472 175.723 176.117 0.129 0.000 1.021 73 I CA -0.502 60.883 61.300 0.142 0.000 1.224 73 I CB 1.582 39.688 38.000 0.175 0.000 1.376 73 I HN 0.287 nan 8.210 nan 0.000 0.470 74 V N 6.389 126.394 119.914 0.152 0.000 2.294 74 V HA 0.521 4.641 4.120 0.000 0.000 0.272 74 V C 0.448 176.643 176.094 0.167 0.000 1.027 74 V CA -0.378 62.016 62.300 0.156 0.000 0.823 74 V CB 1.111 33.049 31.823 0.192 0.000 1.030 74 V HN 0.827 nan 8.190 nan 0.000 0.457 75 A N 5.421 128.320 122.820 0.133 0.000 3.159 75 A HA 0.733 5.053 4.320 0.000 0.000 0.330 75 A C -0.289 177.356 177.584 0.101 0.000 1.032 75 A CA -0.358 51.751 52.037 0.121 0.000 0.841 75 A CB 0.684 19.746 19.000 0.104 0.000 1.093 75 A HN 0.936 nan 8.150 nan 0.000 0.478 76 V N -2.046 117.932 119.914 0.106 0.000 3.166 76 V HA 0.630 4.750 4.120 0.000 0.000 0.317 76 V C -0.173 175.969 176.094 0.081 0.000 1.136 76 V CA -1.352 60.998 62.300 0.083 0.000 1.035 76 V CB 1.323 33.190 31.823 0.072 0.000 1.110 76 V HN 0.468 nan 8.190 nan 0.000 0.450 77 K N 0.797 121.235 120.400 0.063 0.000 2.237 77 K HA 0.543 4.863 4.320 0.000 0.000 0.270 77 K C 1.355 177.992 176.600 0.062 0.000 1.015 77 K CA 0.173 56.495 56.287 0.059 0.000 0.949 77 K CB 1.448 33.977 32.500 0.047 0.000 0.976 77 K HN 0.879 nan 8.250 nan 0.000 0.472 78 A N 4.358 127.219 122.820 0.068 0.000 1.917 78 A HA -0.136 4.184 4.320 0.000 0.000 0.219 78 A C -0.609 177.003 177.584 0.046 0.000 1.182 78 A CA 1.502 53.581 52.037 0.071 0.000 0.633 78 A CB -1.357 17.688 19.000 0.075 0.000 0.819 78 A HN 0.613 nan 8.150 nan 0.000 0.448 79 P HA -0.001 nan 4.420 nan 0.000 0.221 79 P C 1.411 178.716 177.300 0.009 0.000 1.150 79 P CA 1.503 64.612 63.100 0.016 0.000 0.800 79 P CB -0.066 31.638 31.700 0.007 0.000 0.787 80 A N -1.018 121.812 122.820 0.017 0.000 2.119 80 A HA -0.068 4.252 4.320 0.000 0.000 0.216 80 A C 1.966 179.553 177.584 0.005 0.000 1.152 80 A CA 0.666 52.711 52.037 0.013 0.000 0.708 80 A CB -1.329 17.685 19.000 0.023 0.000 0.805 80 A HN 0.093 nan 8.150 nan 0.000 0.460 81 L N 0.254 121.478 121.223 0.002 0.000 1.994 81 L HA -0.137 4.203 4.340 0.000 0.000 0.208 81 L C 2.197 179.028 176.870 -0.065 0.000 1.071 81 L CA 2.099 56.920 54.840 -0.030 0.000 0.745 81 L CB -0.778 41.258 42.059 -0.038 0.000 0.892 81 L HN 0.448 nan 8.230 nan 0.000 0.431 82 E N -0.956 119.212 120.200 -0.053 0.000 2.169 82 E HA -0.257 4.093 4.350 0.000 0.000 0.202 82 E C 1.764 178.340 176.600 -0.040 0.000 1.016 82 E CA 1.678 58.049 56.400 -0.050 0.000 0.817 82 E CB -0.159 29.533 29.700 -0.013 0.000 0.736 82 E HN 0.382 nan 8.360 nan 0.000 0.462 83 S N -0.514 115.170 115.700 -0.025 0.000 2.614 83 S HA 0.117 4.588 4.470 0.000 0.000 0.230 83 S C 1.085 175.676 174.600 -0.015 0.000 0.952 83 S CA -0.236 57.954 58.200 -0.017 0.000 0.949 83 S CB 0.714 63.909 63.200 -0.008 0.000 0.786 83 S HN 0.019 nan 8.310 nan 0.000 0.478 84 V N 0.247 120.144 119.914 -0.028 0.000 3.151 84 V HA 0.254 4.375 4.120 0.000 0.000 0.241 84 V C 2.168 178.241 176.094 -0.036 0.000 1.173 84 V CA 1.170 63.458 62.300 -0.020 0.000 1.154 84 V CB 0.026 31.843 31.823 -0.009 0.000 0.898 84 V HN 0.453 nan 8.190 nan 0.000 0.473 85 A N 0.607 123.382 122.820 -0.075 0.000 1.829 85 A HA -0.131 4.189 4.320 0.000 0.000 0.216 85 A C 2.364 179.915 177.584 -0.055 0.000 1.207 85 A CA 2.312 54.293 52.037 -0.092 0.000 0.622 85 A CB -1.342 17.560 19.000 -0.163 0.000 0.846 85 A HN 0.778 nan 8.150 nan 0.000 0.447 86 A N -0.923 121.867 122.820 -0.049 0.000 2.104 86 A HA -0.021 4.299 4.320 0.000 0.000 0.223 86 A C 2.224 179.797 177.584 -0.018 0.000 1.164 86 A CA 2.230 54.250 52.037 -0.029 0.000 0.659 86 A CB -1.274 17.712 19.000 -0.023 0.000 0.808 86 A HN 0.893 nan 8.150 nan 0.000 0.465 87 G N 0.173 108.964 108.800 -0.015 0.000 2.426 87 G HA2 0.120 4.080 3.960 0.000 0.000 0.214 87 G HA3 0.120 4.080 3.960 0.000 0.000 0.214 87 G C 1.118 176.015 174.900 -0.005 0.000 1.156 87 G CA 0.774 45.873 45.100 -0.002 0.000 0.802 87 G HN 0.970 nan 8.290 nan 0.000 0.534 88 I N -1.385 119.177 120.570 -0.013 0.000 3.837 88 I HA 0.673 4.843 4.170 0.000 0.000 0.332 88 I C 1.606 177.705 176.117 -0.030 0.000 1.484 88 I CA -0.156 61.134 61.300 -0.016 0.000 1.223 88 I CB 0.774 38.769 38.000 -0.008 0.000 1.257 88 I HN -0.004 nan 8.210 nan 0.000 0.421 89 A N 2.203 125.006 122.820 -0.028 0.000 1.975 89 A HA 0.263 4.583 4.320 0.000 0.000 0.215 89 A C -0.161 177.402 177.584 -0.035 0.000 1.170 89 A CA 0.747 52.764 52.037 -0.033 0.000 0.656 89 A CB -1.308 17.679 19.000 -0.022 0.000 0.821 89 A HN 0.458 nan 8.150 nan 0.000 0.449 90 P HA 0.038 nan 4.420 nan 0.000 0.231 90 P C 1.077 178.358 177.300 -0.032 0.000 1.168 90 P CA 0.536 63.620 63.100 -0.027 0.000 0.779 90 P CB 0.018 31.705 31.700 -0.022 0.000 0.844 91 L N -1.515 119.687 121.223 -0.036 0.000 2.418 91 L HA 0.093 4.433 4.340 0.000 0.000 0.218 91 L C 0.959 177.795 176.870 -0.058 0.000 1.125 91 L CA 0.375 55.192 54.840 -0.037 0.000 0.835 91 L CB -0.336 41.708 42.059 -0.026 0.000 0.953 91 L HN -0.084 nan 8.230 nan 0.000 0.454 92 I N 0.513 121.031 120.570 -0.087 0.000 2.312 92 I HA 0.374 4.544 4.170 0.000 0.000 0.290 92 I C 0.545 176.585 176.117 -0.129 0.000 1.008 92 I CA -0.266 60.936 61.300 -0.163 0.000 1.226 92 I CB 1.229 39.074 38.000 -0.259 0.000 1.371 92 I HN -0.087 nan 8.210 nan 0.000 0.468 93 G N 5.784 114.530 108.800 -0.091 0.000 3.013 93 G HA2 0.482 4.443 3.960 0.000 0.000 0.278 93 G HA3 0.482 4.443 3.960 0.000 0.000 0.278 93 G C -2.316 172.635 174.900 0.084 0.000 1.353 93 G CA -1.262 43.831 45.100 -0.011 0.000 1.043 93 G HN 0.279 nan 8.290 nan 0.000 0.523 94 P HA -0.073 nan 4.420 nan 0.000 0.217 94 P C 1.669 179.070 177.300 0.168 0.000 1.151 94 P CA 1.915 65.117 63.100 0.169 0.000 0.849 94 P CB 0.207 31.951 31.700 0.074 0.000 0.787 95 G N -2.357 106.507 108.800 0.107 0.000 3.088 95 G HA2 -0.007 3.953 3.960 0.000 0.000 0.217 95 G HA3 -0.007 3.953 3.960 0.000 0.000 0.217 95 G C 0.206 175.162 174.900 0.092 0.000 1.159 95 G CA 0.073 45.216 45.100 0.073 0.000 0.760 95 G HN 0.176 nan 8.290 nan 0.000 0.550 96 T N 0.967 115.600 114.554 0.131 0.000 2.853 96 T HA 0.204 4.554 4.350 0.000 0.000 0.298 96 T C 0.069 174.856 174.700 0.145 0.000 0.978 96 T CA -0.075 62.073 62.100 0.080 0.000 1.152 96 T CB 1.106 69.957 68.868 -0.029 0.000 0.914 96 T HN 0.138 nan 8.240 nan 0.000 0.539 97 C N 5.628 124.966 119.300 0.063 0.000 2.347 97 C HA 0.543 5.003 4.460 0.000 0.000 0.353 97 C C 0.101 175.117 174.990 0.043 0.000 1.273 97 C CA -0.582 58.467 59.018 0.051 0.000 1.861 97 C CB -0.982 26.760 27.740 0.003 0.000 2.420 97 C HN 0.705 nan 8.230 nan 0.000 0.542 98 V N 8.090 128.041 119.914 0.062 0.000 2.318 98 V HA 0.241 4.361 4.120 0.000 0.000 0.271 98 V C 0.137 176.274 176.094 0.072 0.000 1.030 98 V CA -0.323 62.022 62.300 0.075 0.000 0.844 98 V CB 1.077 32.967 31.823 0.112 0.000 1.015 98 V HN 0.728 nan 8.190 nan 0.000 0.460 99 V N 6.307 126.282 119.914 0.103 0.000 2.405 99 V HA 0.206 4.326 4.120 0.000 0.000 0.264 99 V C 0.217 176.415 176.094 0.174 0.000 1.048 99 V CA -0.272 62.112 62.300 0.140 0.000 0.966 99 V CB 1.333 33.298 31.823 0.236 0.000 1.015 99 V HN 0.604 nan 8.190 nan 0.000 0.477 100 V N 5.115 125.135 119.914 0.176 0.000 2.318 100 V HA 0.590 4.710 4.120 0.000 0.000 0.271 100 V C 0.588 176.842 176.094 0.268 0.000 1.030 100 V CA -0.299 62.168 62.300 0.279 0.000 0.844 100 V CB 1.220 33.290 31.823 0.410 0.000 1.015 100 V HN 0.922 nan 8.190 nan 0.000 0.460 101 A N 7.471 130.417 122.820 0.211 0.000 2.786 101 A HA 0.839 5.159 4.320 0.000 0.000 0.346 101 A C -0.280 177.385 177.584 0.135 0.000 1.265 101 A CA -0.381 51.746 52.037 0.149 0.000 0.858 101 A CB 0.130 19.185 19.000 0.092 0.000 1.118 101 A HN 0.764 nan 8.150 nan 0.000 0.482 102 M N 1.176 120.862 119.600 0.144 0.000 2.644 102 M HA 0.383 4.863 4.480 0.000 0.000 0.304 102 M C -0.597 175.733 176.300 0.051 0.000 1.215 102 M CA -0.905 54.462 55.300 0.111 0.000 0.871 102 M CB 1.816 34.515 32.600 0.165 0.000 1.740 102 M HN 0.462 nan 8.290 nan 0.000 0.464 103 N N 0.882 119.597 118.700 0.026 0.000 2.503 103 N HA 0.518 5.258 4.740 0.000 0.000 0.267 103 N C 0.467 175.953 175.510 -0.040 0.000 1.214 103 N CA 0.885 53.925 53.050 -0.017 0.000 0.959 103 N CB 1.057 39.532 38.487 -0.021 0.000 1.142 103 N HN 0.898 nan 8.380 nan 0.000 0.455 104 G N -0.137 108.612 108.800 -0.086 0.000 2.525 104 G HA2 -0.253 3.708 3.960 0.000 0.000 0.248 104 G HA3 -0.253 3.708 3.960 0.000 0.000 0.248 104 G C -0.794 174.006 174.900 -0.166 0.000 1.238 104 G CA -0.270 44.750 45.100 -0.133 0.000 0.926 104 G HN 0.463 nan 8.290 nan 0.000 0.574 105 V N 3.949 123.744 119.914 -0.198 0.000 2.406 105 V HA 0.487 4.607 4.120 0.000 0.000 0.272 105 V C -1.174 174.788 176.094 -0.219 0.000 1.043 105 V CA -0.502 61.626 62.300 -0.286 0.000 0.915 105 V CB 1.175 32.800 31.823 -0.331 0.000 0.988 105 V HN 0.726 nan 8.190 nan 0.000 0.466 106 P HA 0.068 nan 4.420 nan 0.000 0.274 106 P C 0.431 177.481 177.300 -0.416 0.000 1.231 106 P CA -0.518 62.320 63.100 -0.437 0.000 0.790 106 P CB 0.796 31.874 31.700 -1.037 0.000 0.951 107 W N 4.072 125.260 121.300 -0.187 0.000 2.325 107 W HA -0.139 4.522 4.660 0.000 0.000 0.299 107 W C 1.613 178.169 176.519 0.062 0.000 1.215 107 W CA 0.812 58.154 57.345 -0.005 0.000 1.244 107 W CB -1.527 27.995 29.460 0.104 0.000 1.140 107 W HN 0.474 nan 8.180 nan 0.000 0.523 108 W N -0.468 120.327 121.300 -0.842 0.000 3.256 108 W HA 0.132 4.792 4.660 0.000 0.000 0.269 108 W C 1.447 177.816 176.519 -0.250 0.000 1.310 108 W CA -0.245 56.709 57.345 -0.652 0.000 1.673 108 W CB -1.881 26.989 29.460 -0.983 0.000 1.115 108 W HN 0.025 nan 8.180 nan 0.000 0.686 109 F N 1.945 121.498 119.950 -0.663 0.000 2.111 109 F HA -0.266 4.261 4.527 0.000 0.000 0.300 109 F C 1.494 177.047 175.800 -0.412 0.000 1.088 109 F CA 2.106 59.662 58.000 -0.740 0.000 1.243 109 F CB -0.604 37.854 39.000 -0.903 0.000 0.996 109 F HN -0.238 nan 8.300 nan 0.000 0.483 110 F N -0.022 119.978 119.950 0.084 0.000 2.797 110 F HA 0.082 4.609 4.527 0.000 0.000 0.302 110 F C 0.782 176.581 175.800 -0.003 0.000 1.130 110 F CA -0.030 57.987 58.000 0.029 0.000 1.387 110 F CB -0.552 38.501 39.000 0.088 0.000 1.107 110 F HN -0.209 nan 8.300 nan 0.000 0.577 111 D N 2.915 123.410 120.400 0.158 0.000 2.671 111 D HA 0.076 4.716 4.640 0.000 0.000 0.228 111 D C 0.571 176.896 176.300 0.041 0.000 1.102 111 D CA 0.276 54.341 54.000 0.108 0.000 1.044 111 D CB -0.132 40.735 40.800 0.113 0.000 1.113 111 D HN 0.225 nan 8.370 nan 0.000 0.480 112 R N -0.149 120.367 120.500 0.027 0.000 2.663 112 R HA 0.401 4.741 4.340 0.000 0.000 0.267 112 R C -3.537 172.766 176.300 0.004 0.000 1.038 112 R CA -1.555 54.538 56.100 -0.012 0.000 0.886 112 R CB 0.465 30.728 30.300 -0.062 0.000 1.249 112 R HN -0.217 nan 8.270 nan 0.000 0.463 113 P HA 0.298 nan 4.420 nan 0.000 0.268 113 P C 0.260 177.558 177.300 -0.002 0.000 1.205 113 P CA 1.030 64.127 63.100 -0.004 0.000 0.771 113 P CB 0.639 32.332 31.700 -0.013 0.000 0.858 114 G N 3.130 111.931 108.800 0.002 0.000 2.316 114 G HA2 -0.012 3.949 3.960 0.000 0.000 0.349 114 G HA3 -0.012 3.949 3.960 0.000 0.000 0.349 114 G C -3.223 171.681 174.900 0.007 0.000 1.274 114 G CA -1.024 44.078 45.100 0.003 0.000 1.018 114 G HN 0.374 nan 8.290 nan 0.000 0.486 115 P HA 0.416 nan 4.420 nan 0.000 0.261 115 P C 0.760 178.008 177.300 -0.087 0.000 1.183 115 P CA 0.375 63.456 63.100 -0.032 0.000 0.761 115 P CB -0.004 31.684 31.700 -0.020 0.000 0.785 116 L N 0.221 121.341 121.223 -0.172 0.000 3.660 116 L HA -0.258 4.082 4.340 0.000 0.000 0.440 116 L C 0.668 177.388 176.870 -0.249 0.000 1.262 116 L CA 0.244 54.890 54.840 -0.324 0.000 0.837 116 L CB -1.823 39.851 42.059 -0.642 0.000 1.689 116 L HN 0.530 nan 8.230 nan 0.000 0.890 117 Q N 1.202 120.961 119.800 -0.068 0.000 2.255 117 Q HA 0.346 4.686 4.340 0.000 0.000 0.280 117 Q C 1.401 177.415 176.000 0.025 0.000 1.068 117 Q CA 1.029 56.851 55.803 0.031 0.000 0.911 117 Q CB 0.669 29.424 28.738 0.028 0.000 1.157 117 Q HN 0.487 nan 8.270 nan 0.000 0.380 118 G N 2.812 111.673 108.800 0.102 0.000 2.143 118 G HA2 -0.242 3.719 3.960 0.000 0.000 0.249 118 G HA3 -0.242 3.719 3.960 0.000 0.000 0.249 118 G C -0.082 174.858 174.900 0.067 0.000 0.981 118 G CA 0.033 45.192 45.100 0.099 0.000 0.665 118 G HN 0.605 nan 8.290 nan 0.000 0.528 119 Q N 0.425 120.223 119.800 -0.004 0.000 2.262 119 Q HA 0.262 4.603 4.340 0.000 0.000 0.272 119 Q C 0.841 176.878 176.000 0.062 0.000 1.076 119 Q CA 0.054 55.783 55.803 -0.122 0.000 0.905 119 Q CB 0.385 28.822 28.738 -0.502 0.000 1.182 119 Q HN 0.597 nan 8.270 nan 0.000 0.390 120 R N 3.905 124.441 120.500 0.060 0.000 2.347 120 R HA 0.252 4.592 4.340 0.000 0.000 0.304 120 R C -0.513 175.865 176.300 0.130 0.000 1.072 120 R CA -0.213 55.966 56.100 0.132 0.000 0.980 120 R CB 0.311 30.680 30.300 0.115 0.000 0.986 120 R HN 0.519 nan 8.270 nan 0.000 0.448 121 L N 5.169 126.502 121.223 0.184 0.000 2.257 121 L HA 0.171 4.511 4.340 0.000 0.000 0.290 121 L C 1.155 178.102 176.870 0.127 0.000 1.044 121 L CA -0.646 54.300 54.840 0.177 0.000 0.810 121 L CB 1.788 43.975 42.059 0.212 0.000 1.193 121 L HN 0.620 nan 8.230 nan 0.000 0.425 122 Q N 2.414 122.274 119.800 0.101 0.000 2.224 122 Q HA -0.107 4.233 4.340 0.000 0.000 0.203 122 Q C 2.039 178.060 176.000 0.035 0.000 0.970 122 Q CA 1.321 57.148 55.803 0.041 0.000 0.865 122 Q CB -0.016 28.741 28.738 0.031 0.000 0.922 122 Q HN 0.875 nan 8.270 nan 0.000 0.445 123 A N 0.608 123.469 122.820 0.068 0.000 2.015 123 A HA -0.074 4.246 4.320 0.000 0.000 0.219 123 A C 2.113 179.737 177.584 0.067 0.000 1.163 123 A CA 1.735 53.812 52.037 0.067 0.000 0.646 123 A CB -0.136 18.909 19.000 0.075 0.000 0.806 123 A HN 0.275 nan 8.150 nan 0.000 0.448 124 V N -4.345 115.620 119.914 0.084 0.000 3.359 124 V HA 0.310 4.430 4.120 0.000 0.000 0.245 124 V C 0.253 176.404 176.094 0.095 0.000 1.247 124 V CA 0.809 63.170 62.300 0.101 0.000 1.145 124 V CB 0.244 32.152 31.823 0.141 0.000 0.906 124 V HN 0.271 nan 8.190 nan 0.000 0.464 125 D N 1.253 121.711 120.400 0.097 0.000 2.586 125 D HA 0.376 5.016 4.640 0.000 0.000 0.254 125 D C -1.876 174.435 176.300 0.018 0.000 1.248 125 D CA -1.428 52.609 54.000 0.061 0.000 0.843 125 D CB 1.803 42.669 40.800 0.111 0.000 1.332 125 D HN 0.159 nan 8.370 nan 0.000 0.523 126 P HA -0.101 nan 4.420 nan 0.000 0.216 126 P C 0.675 177.808 177.300 -0.279 0.000 1.153 126 P CA 1.015 63.977 63.100 -0.229 0.000 0.844 126 P CB 0.278 31.727 31.700 -0.418 0.000 0.787 127 H N -1.511 117.581 119.070 0.037 0.000 2.549 127 H HA 0.315 4.871 4.556 0.000 0.000 0.279 127 H C 1.373 176.720 175.328 0.031 0.000 1.018 127 H CA 0.683 56.749 56.048 0.030 0.000 1.175 127 H CB -0.137 29.635 29.762 0.015 0.000 1.485 127 H HN 0.196 nan 8.280 nan 0.000 0.543 128 G N 1.907 110.771 108.800 0.105 0.000 2.155 128 G HA2 -0.380 3.580 3.960 0.000 0.000 0.257 128 G HA3 -0.380 3.580 3.960 0.000 0.000 0.257 128 G C 1.435 176.371 174.900 0.059 0.000 0.983 128 G CA 0.522 45.678 45.100 0.093 0.000 0.676 128 G HN 0.417 nan 8.290 nan 0.000 0.528 129 R N -0.443 120.080 120.500 0.038 0.000 2.148 129 R HA 0.176 4.516 4.340 0.000 0.000 0.223 129 R C 2.494 178.746 176.300 -0.080 0.000 1.088 129 R CA 1.351 57.450 56.100 -0.001 0.000 0.985 129 R CB -0.160 30.146 30.300 0.010 0.000 0.880 129 R HN 0.558 nan 8.270 nan 0.000 0.451 130 I N 0.568 121.032 120.570 -0.177 0.000 2.333 130 I HA -0.125 4.045 4.170 0.000 0.000 0.246 130 I C 2.518 178.373 176.117 -0.437 0.000 1.106 130 I CA 0.958 62.001 61.300 -0.429 0.000 1.411 130 I CB -0.301 37.266 38.000 -0.721 0.000 1.082 130 I HN 0.094 nan 8.210 nan 0.000 0.420 131 A N 0.988 123.690 122.820 -0.195 0.000 2.015 131 A HA -0.231 4.089 4.320 0.000 0.000 0.219 131 A C 2.203 179.894 177.584 0.178 0.000 1.163 131 A CA 1.843 54.016 52.037 0.228 0.000 0.646 131 A CB -0.536 18.716 19.000 0.421 0.000 0.806 131 A HN 0.608 nan 8.150 nan 0.000 0.448 132 Q N -0.947 118.901 119.800 0.079 0.000 2.302 132 Q HA 0.374 4.714 4.340 0.000 0.000 0.202 132 Q C 1.690 177.719 176.000 0.049 0.000 0.936 132 Q CA 1.434 57.282 55.803 0.075 0.000 0.886 132 Q CB -0.505 28.267 28.738 0.057 0.000 0.986 132 Q HN 0.350 nan 8.270 nan 0.000 0.487 133 A N 0.888 123.708 122.820 -0.000 0.000 1.975 133 A HA 0.249 4.569 4.320 0.000 0.000 0.215 133 A C 0.954 178.538 177.584 -0.001 0.000 1.170 133 A CA 0.507 52.532 52.037 -0.020 0.000 0.656 133 A CB 0.031 18.992 19.000 -0.065 0.000 0.821 133 A HN 0.390 nan 8.150 nan 0.000 0.449 134 I N 0.797 121.388 120.570 0.035 0.000 2.595 134 I HA 0.251 4.421 4.170 0.000 0.000 0.275 134 I C -2.870 173.449 176.117 0.337 0.000 1.092 134 I CA -2.092 59.304 61.300 0.160 0.000 1.145 134 I CB 1.705 39.821 38.000 0.194 0.000 1.276 134 I HN -0.053 nan 8.210 nan 0.000 0.497 135 P HA 0.084 nan 4.420 nan 0.000 0.269 135 P C 0.871 178.339 177.300 0.281 0.000 1.209 135 P CA 0.118 63.402 63.100 0.306 0.000 0.776 135 P CB 0.729 32.595 31.700 0.278 0.000 0.876 136 T N 1.749 116.410 114.554 0.179 0.000 2.915 136 T HA -0.133 4.217 4.350 0.000 0.000 0.269 136 T C 1.590 176.242 174.700 -0.080 0.000 1.071 136 T CA 1.161 63.285 62.100 0.040 0.000 1.132 136 T CB -0.359 68.531 68.868 0.038 0.000 0.878 136 T HN 0.544 nan 8.240 nan 0.000 0.479 137 R N 0.666 121.111 120.500 -0.091 0.000 2.193 137 R HA -0.065 4.275 4.340 0.000 0.000 0.229 137 R C 1.857 178.022 176.300 -0.225 0.000 1.110 137 R CA 1.333 57.323 56.100 -0.184 0.000 0.988 137 R CB -0.645 29.523 30.300 -0.219 0.000 0.871 137 R HN 0.439 nan 8.270 nan 0.000 0.458 138 H N 1.012 120.056 119.070 -0.043 0.000 2.470 138 H HA 0.055 4.611 4.556 0.000 0.000 0.289 138 H C 0.905 176.182 175.328 -0.086 0.000 1.033 138 H CA 1.056 57.081 56.048 -0.039 0.000 1.331 138 H CB 0.063 29.831 29.762 0.010 0.000 1.414 138 H HN 0.175 nan 8.280 nan 0.000 0.545 139 V N 0.789 120.664 119.914 -0.065 0.000 2.546 139 V HA 0.351 4.471 4.120 0.000 0.000 0.284 139 V C -0.248 175.645 176.094 -0.334 0.000 1.050 139 V CA -0.689 61.471 62.300 -0.232 0.000 0.981 139 V CB 1.409 32.937 31.823 -0.492 0.000 0.990 139 V HN -0.010 nan 8.190 nan 0.000 0.474 140 L N 5.852 126.931 121.223 -0.240 0.000 2.333 140 L HA 0.872 5.213 4.340 0.000 0.000 0.280 140 L C 0.626 177.389 176.870 -0.179 0.000 1.004 140 L CA 0.349 55.065 54.840 -0.207 0.000 0.820 140 L CB 1.356 43.377 42.059 -0.062 0.000 1.247 140 L HN 0.997 nan 8.230 nan 0.000 0.416 141 G N 2.864 111.540 108.800 -0.208 0.000 2.432 141 G HA2 0.422 4.382 3.960 0.000 0.000 0.257 141 G HA3 0.422 4.382 3.960 0.000 0.000 0.257 141 G C -1.088 173.907 174.900 0.159 0.000 1.238 141 G CA -0.243 44.909 45.100 0.087 0.000 0.838 141 G HN 0.747 nan 8.290 nan 0.000 0.547 142 C N 2.753 122.178 119.300 0.208 0.000 2.446 142 C HA 0.577 5.037 4.460 0.000 0.000 0.329 142 C C -0.410 174.647 174.990 0.111 0.000 1.166 142 C CA -0.564 58.536 59.018 0.138 0.000 1.341 142 C CB 0.356 28.160 27.740 0.107 0.000 1.970 142 C HN 0.552 nan 8.230 nan 0.000 0.452 143 V N 6.721 126.682 119.914 0.079 0.000 2.350 143 V HA 0.385 4.505 4.120 0.000 0.000 0.276 143 V C 0.295 176.344 176.094 -0.076 0.000 1.028 143 V CA -0.261 62.039 62.300 -0.001 0.000 0.860 143 V CB 1.388 33.226 31.823 0.026 0.000 0.990 143 V HN 0.748 nan 8.190 nan 0.000 0.453 144 V N 5.643 125.479 119.914 -0.130 0.000 2.432 144 V HA 0.415 4.535 4.120 0.000 0.000 0.275 144 V C 0.441 176.401 176.094 -0.222 0.000 1.043 144 V CA -0.038 62.198 62.300 -0.106 0.000 0.925 144 V CB 0.917 32.714 31.823 -0.044 0.000 0.985 144 V HN 0.910 nan 8.190 nan 0.000 0.466 145 H N 6.516 125.605 119.070 0.033 0.000 2.475 145 H HA 0.313 4.869 4.556 0.000 0.000 0.276 145 H C -0.198 175.140 175.328 0.017 0.000 1.126 145 H CA 0.077 56.145 56.048 0.032 0.000 1.023 145 H CB 0.703 30.495 29.762 0.050 0.000 1.669 145 H HN 0.671 nan 8.280 nan 0.000 0.573 146 L N -0.911 120.360 121.223 0.080 0.000 2.271 146 L HA 0.768 5.108 4.340 0.000 0.000 0.265 146 L C 0.240 177.084 176.870 -0.042 0.000 1.013 146 L CA -0.907 53.953 54.840 0.032 0.000 0.820 146 L CB 1.624 43.721 42.059 0.064 0.000 1.352 146 L HN -0.073 nan 8.230 nan 0.000 0.443 147 T N -1.677 112.801 114.554 -0.128 0.000 2.893 147 T HA 0.862 5.212 4.350 0.000 0.000 0.291 147 T C -0.317 174.227 174.700 -0.260 0.000 1.028 147 T CA -0.297 61.707 62.100 -0.161 0.000 0.995 147 T CB 1.123 69.895 68.868 -0.160 0.000 1.051 147 T HN 1.319 nan 8.240 nan 0.000 0.470 148 C N -0.257 118.936 119.300 -0.178 0.000 3.295 148 C HA 1.034 5.494 4.460 0.000 0.000 0.341 148 C C -0.739 174.206 174.990 -0.076 0.000 1.418 148 C CA -0.772 58.140 59.018 -0.178 0.000 1.240 148 C CB 0.891 28.499 27.740 -0.220 0.000 1.562 148 C HN 1.523 nan 8.230 nan 0.000 0.457 149 A N -0.173 122.614 122.820 -0.056 0.000 2.587 149 A HA 0.869 5.190 4.320 0.000 0.000 0.293 149 A C -0.633 176.935 177.584 -0.027 0.000 1.087 149 A CA -0.226 51.795 52.037 -0.026 0.000 0.692 149 A CB 1.079 20.067 19.000 -0.020 0.000 1.291 149 A HN 1.116 nan 8.150 nan 0.000 0.407 150 T N 1.854 116.401 114.554 -0.012 0.000 2.728 150 T HA 0.407 4.757 4.350 0.000 0.000 0.296 150 T C 1.440 176.119 174.700 -0.034 0.000 0.940 150 T CA -0.304 61.789 62.100 -0.012 0.000 1.013 150 T CB 0.816 69.696 68.868 0.020 0.000 0.912 150 T HN 0.493 nan 8.240 nan 0.000 0.484 151 V N 2.978 122.837 119.914 -0.093 0.000 2.251 151 V HA 0.007 4.127 4.120 0.000 0.000 0.233 151 V C 1.378 177.484 176.094 0.020 0.000 1.041 151 V CA 0.849 63.105 62.300 -0.074 0.000 1.000 151 V CB -0.700 31.003 31.823 -0.200 0.000 0.643 151 V HN 0.913 nan 8.190 nan 0.000 0.460 152 S N 0.502 116.253 115.700 0.085 0.000 2.621 152 S HA 0.548 5.018 4.470 0.000 0.000 0.302 152 S C -3.027 171.637 174.600 0.107 0.000 1.093 152 S CA -1.773 56.487 58.200 0.101 0.000 1.017 152 S CB 1.257 64.535 63.200 0.129 0.000 1.077 152 S HN 0.289 nan 8.310 nan 0.000 0.517 153 P HA 0.115 nan 4.420 nan 0.000 0.257 153 P C 1.042 178.399 177.300 0.094 0.000 1.162 153 P CA 1.739 64.883 63.100 0.074 0.000 0.762 153 P CB -0.437 31.296 31.700 0.055 0.000 0.753 154 G N 1.564 110.424 108.800 0.101 0.000 2.162 154 G HA2 -0.255 3.705 3.960 0.000 0.000 0.260 154 G HA3 -0.255 3.705 3.960 0.000 0.000 0.260 154 G C 0.023 175.028 174.900 0.175 0.000 0.976 154 G CA 0.186 45.353 45.100 0.112 0.000 0.655 154 G HN 0.852 nan 8.290 nan 0.000 0.533 155 H N 0.023 119.128 119.070 0.058 0.000 2.646 155 H HA 0.597 5.153 4.556 0.000 0.000 0.328 155 H C -0.552 174.823 175.328 0.077 0.000 0.998 155 H CA -1.275 54.812 56.048 0.065 0.000 1.225 155 H CB 0.701 30.494 29.762 0.053 0.000 1.457 155 H HN 0.041 nan 8.280 nan 0.000 0.505 156 I N 4.705 125.360 120.570 0.141 0.000 2.412 156 I HA 0.299 4.470 4.170 0.000 0.000 0.296 156 I C 0.174 176.263 176.117 -0.046 0.000 0.987 156 I CA -0.531 60.796 61.300 0.045 0.000 1.180 156 I CB 1.561 39.666 38.000 0.176 0.000 1.340 156 I HN 0.586 nan 8.210 nan 0.000 0.455 157 R N 4.679 125.124 120.500 -0.092 0.000 2.360 157 R HA 0.245 4.585 4.340 0.000 0.000 0.318 157 R C -0.204 176.081 176.300 -0.025 0.000 0.950 157 R CA -0.552 55.507 56.100 -0.068 0.000 0.837 157 R CB 0.777 30.995 30.300 -0.136 0.000 1.165 157 R HN 0.690 nan 8.270 nan 0.000 0.458 158 H N 3.370 122.391 119.070 -0.083 0.000 2.803 158 H HA 0.070 4.626 4.556 0.000 0.000 0.330 158 H C 0.149 175.375 175.328 -0.170 0.000 1.057 158 H CA 0.863 56.780 56.048 -0.219 0.000 1.458 158 H CB 1.377 31.033 29.762 -0.177 0.000 1.470 158 H HN 0.869 nan 8.280 nan 0.000 0.560 159 G N 4.161 112.533 108.800 -0.712 0.000 2.583 159 G HA2 -0.116 3.844 3.960 0.000 0.000 0.215 159 G HA3 -0.116 3.844 3.960 0.000 0.000 0.215 159 G C 0.108 174.495 174.900 -0.856 0.000 1.481 159 G CA -0.078 44.664 45.100 -0.597 0.000 0.948 159 G HN 0.711 nan 8.290 nan 0.000 0.511 160 N N -0.681 117.575 118.700 -0.740 0.000 2.287 160 N HA 0.476 5.216 4.740 0.000 0.000 0.289 160 N C -0.423 175.000 175.510 -0.145 0.000 1.066 160 N CA 0.494 53.282 53.050 -0.436 0.000 0.841 160 N CB 1.892 40.235 38.487 -0.240 0.000 1.599 160 N HN 1.030 nan 8.380 nan 0.000 0.476 161 G N 1.939 110.833 108.800 0.155 0.000 2.555 161 G HA2 -0.077 3.883 3.960 0.000 0.000 0.686 161 G HA3 -0.077 3.883 3.960 0.000 0.000 0.686 161 G C -0.467 174.574 174.900 0.235 0.000 1.275 161 G CA -0.659 44.539 45.100 0.164 0.000 0.871 161 G HN 0.580 nan 8.290 nan 0.000 0.603 162 R N -0.747 119.842 120.500 0.148 0.000 2.526 162 R HA 0.142 4.482 4.340 0.000 0.000 0.346 162 R C 0.937 177.301 176.300 0.107 0.000 0.926 162 R CA -0.263 55.922 56.100 0.140 0.000 1.147 162 R CB 0.674 31.032 30.300 0.098 0.000 1.629 162 R HN 0.626 nan 8.270 nan 0.000 0.516 163 R N 1.279 121.845 120.500 0.109 0.000 2.340 163 R HA 0.342 4.682 4.340 0.000 0.000 0.300 163 R C -0.990 175.384 176.300 0.123 0.000 1.069 163 R CA -0.129 56.038 56.100 0.111 0.000 0.984 163 R CB 0.461 30.831 30.300 0.117 0.000 1.003 163 R HN -0.210 nan 8.270 nan 0.000 0.459 164 L N 5.806 127.083 121.223 0.090 0.000 2.431 164 L HA 0.502 4.842 4.340 0.000 0.000 0.266 164 L C -0.925 176.003 176.870 0.097 0.000 0.978 164 L CA -0.517 54.355 54.840 0.054 0.000 0.822 164 L CB 2.217 44.232 42.059 -0.074 0.000 1.310 164 L HN 0.587 nan 8.230 nan 0.000 0.409 165 I N 4.176 124.819 120.570 0.122 0.000 2.378 165 I HA 0.503 4.673 4.170 0.000 0.000 0.291 165 I C -0.757 175.425 176.117 0.109 0.000 0.992 165 I CA -0.570 60.806 61.300 0.127 0.000 1.154 165 I CB 1.427 39.528 38.000 0.168 0.000 1.315 165 I HN 0.299 nan 8.210 nan 0.000 0.448 166 L N 5.418 126.705 121.223 0.106 0.000 2.334 166 L HA 0.944 5.284 4.340 0.000 0.000 0.276 166 L C 0.265 177.181 176.870 0.077 0.000 1.014 166 L CA -0.386 54.518 54.840 0.107 0.000 0.815 166 L CB 2.027 44.170 42.059 0.141 0.000 1.268 166 L HN 0.770 nan 8.230 nan 0.000 0.428 167 G N 0.549 109.383 108.800 0.056 0.000 2.673 167 G HA2 0.416 4.376 3.960 0.000 0.000 0.292 167 G HA3 0.416 4.376 3.960 0.000 0.000 0.292 167 G C -1.644 173.232 174.900 -0.040 0.000 1.450 167 G CA -0.547 44.565 45.100 0.021 0.000 0.837 167 G HN 0.313 nan 8.290 nan 0.000 0.505 168 E N 1.396 121.560 120.200 -0.060 0.000 2.259 168 E HA 0.181 4.531 4.350 0.000 0.000 0.281 168 E C -1.546 174.975 176.600 -0.132 0.000 1.037 168 E CA -1.553 54.778 56.400 -0.116 0.000 0.854 168 E CB 2.267 31.915 29.700 -0.088 0.000 1.051 168 E HN 0.090 nan 8.360 nan 0.000 0.409 169 P HA -0.195 nan 4.420 nan 0.000 0.216 169 P C 1.021 178.267 177.300 -0.090 0.000 1.153 169 P CA 1.632 64.619 63.100 -0.189 0.000 0.858 169 P CB 0.258 31.714 31.700 -0.405 0.000 0.789 170 A N -1.189 121.571 122.820 -0.100 0.000 2.015 170 A HA 0.363 4.683 4.320 0.000 0.000 0.219 170 A C 1.197 178.746 177.584 -0.058 0.000 1.163 170 A CA 1.335 53.332 52.037 -0.067 0.000 0.646 170 A CB -1.119 17.841 19.000 -0.066 0.000 0.806 170 A HN 0.387 nan 8.150 nan 0.000 0.448 171 G N -3.495 105.269 108.800 -0.060 0.000 2.539 171 G HA2 0.507 4.467 3.960 0.000 0.000 0.686 171 G HA3 0.507 4.467 3.960 0.000 0.000 0.686 171 G C 0.569 175.445 174.900 -0.040 0.000 1.258 171 G CA -0.131 44.941 45.100 -0.046 0.000 0.846 171 G HN 2.380 nan 8.290 nan 0.000 0.647 172 G N -0.755 108.027 108.800 -0.031 0.000 2.855 172 G HA2 0.436 4.396 3.960 0.000 0.000 0.352 172 G HA3 0.436 4.396 3.960 0.000 0.000 0.352 172 G C 0.742 175.627 174.900 -0.025 0.000 1.415 172 G CA 0.907 45.991 45.100 -0.025 0.000 0.871 172 G HN 2.638 nan 8.290 nan 0.000 0.543 173 A N -0.150 122.658 122.820 -0.020 0.000 2.366 173 A HA 0.888 5.208 4.320 0.000 0.000 0.249 173 A C 0.951 178.520 177.584 -0.024 0.000 1.084 173 A CA 1.303 53.329 52.037 -0.019 0.000 0.794 173 A CB 0.546 19.537 19.000 -0.014 0.000 1.034 173 A HN 2.616 nan 8.150 nan 0.000 0.491 174 S N 0.309 115.995 115.700 -0.024 0.000 2.547 174 S HA 0.605 5.075 4.470 0.000 0.000 0.270 174 S C -2.602 171.982 174.600 -0.025 0.000 1.150 174 S CA -0.850 57.332 58.200 -0.029 0.000 0.850 174 S CB 1.291 64.468 63.200 -0.038 0.000 1.118 174 S HN 0.266 nan 8.310 nan 0.000 0.461 175 P HA -0.175 nan 4.420 nan 0.000 0.216 175 P C 1.544 178.827 177.300 -0.029 0.000 1.157 175 P CA 1.768 64.853 63.100 -0.025 0.000 0.880 175 P CB -0.091 31.593 31.700 -0.026 0.000 0.791 176 R N -0.548 119.932 120.500 -0.033 0.000 2.148 176 R HA -0.040 4.300 4.340 0.000 0.000 0.223 176 R C 2.073 178.351 176.300 -0.036 0.000 1.088 176 R CA 0.938 57.015 56.100 -0.038 0.000 0.985 176 R CB -1.506 28.769 30.300 -0.041 0.000 0.880 176 R HN 0.128 nan 8.270 nan 0.000 0.451 177 L N 1.137 122.343 121.223 -0.028 0.000 2.083 177 L HA 0.045 4.386 4.340 0.000 0.000 0.209 177 L C 2.389 179.257 176.870 -0.003 0.000 1.083 177 L CA 1.977 56.810 54.840 -0.012 0.000 0.752 177 L CB -0.602 41.450 42.059 -0.011 0.000 0.899 177 L HN 0.295 nan 8.230 nan 0.000 0.433 178 A N -0.930 121.884 122.820 -0.010 0.000 1.929 178 A HA -0.143 4.177 4.320 0.000 0.000 0.216 178 A C 2.461 180.035 177.584 -0.017 0.000 1.176 178 A CA 1.683 53.716 52.037 -0.007 0.000 0.628 178 A CB -0.946 18.048 19.000 -0.009 0.000 0.816 178 A HN 0.659 nan 8.150 nan 0.000 0.444 179 S N -0.049 115.631 115.700 -0.033 0.000 2.371 179 S HA -0.069 4.401 4.470 0.000 0.000 0.224 179 S C 1.817 176.363 174.600 -0.089 0.000 1.029 179 S CA 1.140 59.308 58.200 -0.053 0.000 0.978 179 S CB -0.481 62.686 63.200 -0.055 0.000 0.833 179 S HN 0.314 nan 8.310 nan 0.000 0.466 180 I N 3.065 123.576 120.570 -0.098 0.000 2.226 180 I HA -0.085 4.085 4.170 0.000 0.000 0.245 180 I C 3.075 179.113 176.117 -0.132 0.000 1.100 180 I CA 1.315 62.505 61.300 -0.184 0.000 1.374 180 I CB -1.960 35.970 38.000 -0.118 0.000 1.057 180 I HN 0.433 nan 8.210 nan 0.000 0.413 181 A N 0.944 123.775 122.820 0.018 0.000 1.902 181 A HA -0.109 4.211 4.320 0.000 0.000 0.217 181 A C 2.575 180.203 177.584 0.075 0.000 1.181 181 A CA 2.008 54.111 52.037 0.110 0.000 0.623 181 A CB -0.758 18.294 19.000 0.088 0.000 0.818 181 A HN 0.418 nan 8.150 nan 0.000 0.443 182 A N -0.523 122.304 122.820 0.012 0.000 1.930 182 A HA 0.009 4.329 4.320 0.000 0.000 0.217 182 A C 2.134 179.707 177.584 -0.018 0.000 1.175 182 A CA 1.646 53.684 52.037 0.002 0.000 0.627 182 A CB -0.618 18.373 19.000 -0.014 0.000 0.815 182 A HN 0.717 nan 8.150 nan 0.000 0.443 183 L N -1.358 119.814 121.223 -0.086 0.000 1.989 183 L HA -0.128 4.213 4.340 0.000 0.000 0.211 183 L C 2.188 179.017 176.870 -0.068 0.000 1.071 183 L CA 2.154 56.908 54.840 -0.143 0.000 0.749 183 L CB -0.745 41.135 42.059 -0.299 0.000 0.890 183 L HN 0.312 nan 8.230 nan 0.000 0.431 184 F N 0.526 120.469 119.950 -0.012 0.000 2.134 184 F HA -0.049 4.478 4.527 0.000 0.000 0.299 184 F C 2.547 178.339 175.800 -0.013 0.000 1.097 184 F CA 1.097 59.090 58.000 -0.013 0.000 1.264 184 F CB -1.684 37.319 39.000 0.005 0.000 1.001 184 F HN 0.214 nan 8.300 nan 0.000 0.479 185 G N -0.286 108.622 108.800 0.180 0.000 2.469 185 G HA2 -0.275 3.685 3.960 0.000 0.000 0.219 185 G HA3 -0.275 3.685 3.960 0.000 0.000 0.219 185 G C 1.892 176.826 174.900 0.056 0.000 1.150 185 G CA 0.661 45.819 45.100 0.095 0.000 0.763 185 G HN 0.264 nan 8.290 nan 0.000 0.561 186 R N 0.343 120.867 120.500 0.039 0.000 2.237 186 R HA 0.108 4.449 4.340 0.000 0.000 0.219 186 R C 2.324 178.630 176.300 0.009 0.000 1.080 186 R CA 0.748 56.856 56.100 0.013 0.000 0.995 186 R CB -0.085 30.212 30.300 -0.005 0.000 0.875 186 R HN 0.351 nan 8.270 nan 0.000 0.462 187 A N -0.087 122.752 122.820 0.032 0.000 2.379 187 A HA 0.316 4.637 4.320 0.000 0.000 0.236 187 A C 1.153 178.727 177.584 -0.017 0.000 1.272 187 A CA 0.489 52.530 52.037 0.007 0.000 0.886 187 A CB 0.152 19.177 19.000 0.042 0.000 0.962 187 A HN 0.376 nan 8.150 nan 0.000 0.504 188 G N -1.040 107.763 108.800 0.005 0.000 2.159 188 G HA2 -0.210 3.750 3.960 0.000 0.000 0.256 188 G HA3 -0.210 3.750 3.960 0.000 0.000 0.256 188 G C 0.012 174.923 174.900 0.017 0.000 0.977 188 G CA 0.314 45.414 45.100 -0.001 0.000 0.652 188 G HN 0.454 nan 8.290 nan 0.000 0.531 189 L N 0.778 122.023 121.223 0.037 0.000 2.312 189 L HA 0.450 4.791 4.340 0.000 0.000 0.281 189 L C 0.472 177.378 176.870 0.060 0.000 1.070 189 L CA -0.838 54.028 54.840 0.043 0.000 0.805 189 L CB 1.223 43.284 42.059 0.004 0.000 1.174 189 L HN 0.024 nan 8.230 nan 0.000 0.434 190 Q N 3.405 123.239 119.800 0.056 0.000 2.681 190 Q HA 0.352 4.692 4.340 0.000 0.000 0.222 190 Q C -0.227 175.810 176.000 0.063 0.000 1.258 190 Q CA -0.204 55.633 55.803 0.057 0.000 1.014 190 Q CB 0.939 29.708 28.738 0.051 0.000 1.384 190 Q HN 0.596 nan 8.270 nan 0.000 0.570 191 A N 2.851 125.719 122.820 0.080 0.000 2.302 191 A HA 0.400 4.720 4.320 0.000 0.000 0.295 191 A C -0.086 177.550 177.584 0.086 0.000 1.235 191 A CA -0.385 51.710 52.037 0.097 0.000 0.876 191 A CB 0.464 19.570 19.000 0.177 0.000 1.133 191 A HN 0.519 nan 8.150 nan 0.000 0.533 192 E N 1.053 121.301 120.200 0.080 0.000 2.202 192 E HA 0.452 4.802 4.350 0.000 0.000 0.272 192 E C -1.153 175.489 176.600 0.069 0.000 0.951 192 E CA -0.578 55.861 56.400 0.065 0.000 0.813 192 E CB 1.774 31.508 29.700 0.057 0.000 1.151 192 E HN 0.654 nan 8.360 nan 0.000 0.398 193 C N 1.966 121.297 119.300 0.052 0.000 2.303 193 C HA 0.499 4.959 4.460 0.000 0.000 0.326 193 C C 0.431 175.442 174.990 0.036 0.000 1.285 193 C CA -0.567 58.478 59.018 0.046 0.000 1.675 193 C CB 0.545 28.305 27.740 0.034 0.000 2.289 193 C HN 0.643 nan 8.230 nan 0.000 0.512 194 S N 1.562 117.286 115.700 0.040 0.000 2.608 194 S HA 0.294 4.764 4.470 0.000 0.000 0.291 194 S C 0.787 175.396 174.600 0.014 0.000 1.146 194 S CA -0.348 57.870 58.200 0.031 0.000 1.043 194 S CB 0.810 64.041 63.200 0.051 0.000 1.037 194 S HN 0.781 nan 8.310 nan 0.000 0.520 195 E N 1.587 121.789 120.200 0.004 0.000 2.340 195 E HA 0.195 4.545 4.350 0.000 0.000 0.194 195 E C 0.144 176.737 176.600 -0.012 0.000 0.996 195 E CA 0.255 56.651 56.400 -0.007 0.000 0.869 195 E CB 0.571 30.263 29.700 -0.012 0.000 0.835 195 E HN 0.615 nan 8.360 nan 0.000 0.493 196 A N 1.216 124.033 122.820 -0.005 0.000 2.768 196 A HA 0.249 4.569 4.320 0.000 0.000 0.299 196 A C 0.276 177.868 177.584 0.014 0.000 1.171 196 A CA -0.431 51.599 52.037 -0.012 0.000 0.759 196 A CB 0.138 19.123 19.000 -0.025 0.000 1.267 196 A HN 0.084 nan 8.150 nan 0.000 0.421 197 I N 1.151 121.740 120.570 0.032 0.000 2.567 197 I HA -0.198 3.972 4.170 0.000 0.000 0.257 197 I C 2.075 178.257 176.117 0.108 0.000 1.184 197 I CA 1.724 63.080 61.300 0.093 0.000 1.451 197 I CB -0.002 38.078 38.000 0.134 0.000 1.089 197 I HN 0.727 nan 8.210 nan 0.000 0.441 198 Q N 0.132 119.926 119.800 -0.011 0.000 2.170 198 Q HA -0.142 4.198 4.340 0.000 0.000 0.203 198 Q C 2.193 178.317 176.000 0.207 0.000 0.976 198 Q CA 1.495 57.234 55.803 -0.107 0.000 0.858 198 Q CB -0.177 28.229 28.738 -0.553 0.000 0.907 198 Q HN 0.474 nan 8.270 nan 0.000 0.433 199 R N -0.016 120.567 120.500 0.140 0.000 2.153 199 R HA -0.047 4.293 4.340 0.000 0.000 0.218 199 R C 0.914 177.371 176.300 0.262 0.000 1.072 199 R CA 1.386 57.601 56.100 0.190 0.000 0.990 199 R CB -0.001 30.346 30.300 0.079 0.000 0.889 199 R HN 0.388 nan 8.270 nan 0.000 0.452 200 D N 0.699 121.237 120.400 0.230 0.000 2.249 200 D HA -0.006 4.634 4.640 0.000 0.000 0.205 200 D C 1.734 178.226 176.300 0.320 0.000 0.962 200 D CA 0.569 54.737 54.000 0.279 0.000 0.860 200 D CB 0.048 40.979 40.800 0.219 0.000 0.955 200 D HN 0.113 nan 8.370 nan 0.000 0.505 201 I N -0.046 120.707 120.570 0.306 0.000 2.202 201 I HA -0.196 3.974 4.170 0.000 0.000 0.242 201 I C 2.109 178.392 176.117 0.276 0.000 1.091 201 I CA 0.880 62.345 61.300 0.275 0.000 1.368 201 I CB -0.109 38.105 38.000 0.356 0.000 1.058 201 I HN 0.245 nan 8.210 nan 0.000 0.410 202 W N 0.798 122.217 121.300 0.199 0.000 2.388 202 W HA -0.255 4.405 4.660 0.000 0.000 0.294 202 W C 2.532 179.183 176.519 0.220 0.000 1.212 202 W CA 1.235 58.668 57.345 0.147 0.000 1.271 202 W CB -0.232 29.319 29.460 0.152 0.000 1.126 202 W HN 0.130 nan 8.180 nan 0.000 0.535 203 F N 1.829 121.943 119.950 0.273 0.000 2.102 203 F HA -0.204 4.323 4.527 0.000 0.000 0.298 203 F C 2.564 178.507 175.800 0.238 0.000 1.105 203 F CA 2.448 60.597 58.000 0.247 0.000 1.239 203 F CB -0.748 38.374 39.000 0.204 0.000 0.991 203 F HN -0.305 nan 8.300 nan 0.000 0.474 204 K N 0.102 120.608 120.400 0.177 0.000 2.057 204 K HA -0.194 4.126 4.320 0.000 0.000 0.207 204 K C 2.172 178.702 176.600 -0.117 0.000 1.049 204 K CA 1.534 57.837 56.287 0.027 0.000 0.931 204 K CB -0.534 32.013 32.500 0.078 0.000 0.714 204 K HN 0.363 nan 8.250 nan 0.000 0.440 205 L N 0.431 121.564 121.223 -0.150 0.000 2.017 205 L HA -0.161 4.179 4.340 0.000 0.000 0.208 205 L C 2.083 178.764 176.870 -0.317 0.000 1.073 205 L CA 1.866 56.529 54.840 -0.296 0.000 0.745 205 L CB -0.727 41.034 42.059 -0.497 0.000 0.894 205 L HN 0.398 nan 8.230 nan 0.000 0.432 206 W N 0.426 121.427 121.300 -0.498 0.000 2.342 206 W HA -0.093 4.567 4.660 0.000 0.000 0.297 206 W C 2.025 178.349 176.519 -0.326 0.000 1.213 206 W CA 1.880 58.978 57.345 -0.411 0.000 1.251 206 W CB -0.589 28.699 29.460 -0.288 0.000 1.136 206 W HN 0.216 nan 8.180 nan 0.000 0.526 207 G N -0.429 108.079 108.800 -0.486 0.000 2.985 207 G HA2 -0.091 3.870 3.960 0.000 0.000 0.209 207 G HA3 -0.091 3.870 3.960 0.000 0.000 0.209 207 G C 1.066 175.715 174.900 -0.419 0.000 1.165 207 G CA 0.390 45.107 45.100 -0.639 0.000 0.776 207 G HN 0.365 nan 8.290 nan 0.000 0.541 208 N N -0.473 118.025 118.700 -0.338 0.000 2.145 208 N HA 0.126 4.866 4.740 0.000 0.000 0.219 208 N C 1.674 177.035 175.510 -0.248 0.000 1.266 208 N CA -0.311 52.590 53.050 -0.249 0.000 0.902 208 N CB 0.316 38.694 38.487 -0.182 0.000 1.078 208 N HN 0.182 nan 8.380 nan 0.000 0.513 209 M N 0.903 120.323 119.600 -0.299 0.000 2.175 209 M HA -0.076 4.404 4.480 0.000 0.000 0.264 209 M C 1.353 177.504 176.300 -0.248 0.000 1.063 209 M CA 1.462 56.599 55.300 -0.273 0.000 1.119 209 M CB 0.005 32.422 32.600 -0.304 0.000 1.377 209 M HN 0.010 nan 8.290 nan 0.000 0.415 210 T N -0.311 114.072 114.554 -0.284 0.000 2.976 210 T HA 0.023 4.373 4.350 0.000 0.000 0.257 210 T C 1.761 176.342 174.700 -0.199 0.000 1.051 210 T CA 0.530 62.469 62.100 -0.268 0.000 1.141 210 T CB -0.019 68.643 68.868 -0.344 0.000 0.881 210 T HN 0.246 nan 8.240 nan 0.000 0.461 211 M N 2.396 121.876 119.600 -0.201 0.000 2.149 211 M HA -0.048 4.432 4.480 0.000 0.000 0.261 211 M C 1.947 178.174 176.300 -0.122 0.000 1.064 211 M CA 1.115 56.324 55.300 -0.153 0.000 1.102 211 M CB -1.292 31.215 32.600 -0.156 0.000 1.369 211 M HN 0.287 nan 8.290 nan 0.000 0.408 212 N N 0.090 118.716 118.700 -0.124 0.000 2.062 212 N HA -0.095 4.645 4.740 0.000 0.000 0.191 212 N C -0.944 174.510 175.510 -0.094 0.000 1.042 212 N CA 1.457 54.447 53.050 -0.100 0.000 0.845 212 N CB -1.516 36.914 38.487 -0.096 0.000 1.024 212 N HN 0.242 nan 8.380 nan 0.000 0.424 213 P HA -0.012 nan 4.420 nan 0.000 0.219 213 P C 1.782 179.025 177.300 -0.095 0.000 1.150 213 P CA 0.550 63.594 63.100 -0.093 0.000 0.814 213 P CB 0.085 31.733 31.700 -0.087 0.000 0.787 214 V N 0.652 120.518 119.914 -0.080 0.000 2.343 214 V HA -0.237 3.884 4.120 0.000 0.000 0.247 214 V C 2.545 178.584 176.094 -0.091 0.000 1.051 214 V CA 2.542 64.806 62.300 -0.059 0.000 1.036 214 V CB -1.586 30.216 31.823 -0.034 0.000 0.654 214 V HN 0.285 nan 8.190 nan 0.000 0.451 215 S N 0.668 116.311 115.700 -0.095 0.000 2.423 215 S HA -0.131 4.339 4.470 0.000 0.000 0.231 215 S C 1.883 176.415 174.600 -0.114 0.000 1.014 215 S CA 1.538 59.680 58.200 -0.097 0.000 0.965 215 S CB -0.449 62.697 63.200 -0.089 0.000 0.785 215 S HN 0.560 nan 8.310 nan 0.000 0.495 216 V N -0.596 119.238 119.914 -0.134 0.000 2.725 216 V HA 0.245 4.366 4.120 0.000 0.000 0.247 216 V C 2.332 178.168 176.094 -0.430 0.000 1.058 216 V CA 0.625 62.829 62.300 -0.160 0.000 1.080 216 V CB -1.084 30.703 31.823 -0.060 0.000 0.713 216 V HN 0.417 nan 8.190 nan 0.000 0.465 217 L N 1.585 122.527 121.223 -0.468 0.000 2.141 217 L HA -0.085 4.255 4.340 0.000 0.000 0.209 217 L C 2.774 179.443 176.870 -0.335 0.000 1.094 217 L CA 2.113 56.610 54.840 -0.571 0.000 0.763 217 L CB -0.543 41.346 42.059 -0.285 0.000 0.908 217 L HN 0.687 nan 8.230 nan 0.000 0.437 218 T N -5.401 109.027 114.554 -0.209 0.000 3.045 218 T HA 0.241 4.591 4.350 0.000 0.000 0.239 218 T C 1.520 176.163 174.700 -0.094 0.000 1.008 218 T CA 0.632 62.659 62.100 -0.122 0.000 1.143 218 T CB 0.612 69.427 68.868 -0.088 0.000 0.894 218 T HN 0.316 nan 8.240 nan 0.000 0.451 219 G N 1.652 110.393 108.800 -0.098 0.000 2.176 219 G HA2 0.057 4.017 3.960 0.000 0.000 0.232 219 G HA3 0.057 4.017 3.960 0.000 0.000 0.232 219 G C 0.274 175.131 174.900 -0.071 0.000 0.986 219 G CA 0.021 45.079 45.100 -0.070 0.000 0.643 219 G HN 1.152 nan 8.290 nan 0.000 0.522 220 A N 0.515 123.292 122.820 -0.072 0.000 2.351 220 A HA 0.775 5.095 4.320 0.000 0.000 0.257 220 A C 1.088 178.628 177.584 -0.073 0.000 1.087 220 A CA 0.968 52.966 52.037 -0.064 0.000 0.798 220 A CB 0.244 19.212 19.000 -0.055 0.000 1.033 220 A HN 1.718 nan 8.150 nan 0.000 0.488 221 T N -1.523 112.991 114.554 -0.068 0.000 2.813 221 T HA 0.140 4.490 4.350 0.000 0.000 0.297 221 T C 1.155 175.827 174.700 -0.047 0.000 1.036 221 T CA 0.006 62.066 62.100 -0.067 0.000 1.044 221 T CB 0.348 69.185 68.868 -0.052 0.000 0.993 221 T HN 0.535 nan 8.240 nan 0.000 0.535 222 C N 0.571 119.851 119.300 -0.033 0.000 2.432 222 C HA -0.015 4.445 4.460 0.000 0.000 0.282 222 C C 2.507 177.480 174.990 -0.028 0.000 1.388 222 C CA 0.901 59.900 59.018 -0.031 0.000 1.777 222 C CB -1.418 26.313 27.740 -0.015 0.000 1.882 222 C HN 1.037 nan 8.230 nan 0.000 0.520 223 D N 0.242 120.632 120.400 -0.016 0.000 2.162 223 D HA -0.058 4.582 4.640 0.000 0.000 0.203 223 D C 2.495 178.782 176.300 -0.021 0.000 0.967 223 D CA 0.891 54.882 54.000 -0.016 0.000 0.840 223 D CB -0.232 40.565 40.800 -0.005 0.000 0.972 223 D HN 0.330 nan 8.370 nan 0.000 0.482 224 R N -0.160 120.325 120.500 -0.024 0.000 2.115 224 R HA -0.011 4.329 4.340 0.000 0.000 0.230 224 R C 2.346 178.629 176.300 -0.029 0.000 1.111 224 R CA 0.544 56.628 56.100 -0.026 0.000 0.976 224 R CB -0.126 30.157 30.300 -0.030 0.000 0.870 224 R HN 0.327 nan 8.270 nan 0.000 0.445 225 I N 0.557 121.106 120.570 -0.035 0.000 2.202 225 I HA -0.278 3.892 4.170 0.000 0.000 0.242 225 I C 1.909 178.006 176.117 -0.033 0.000 1.091 225 I CA 1.310 62.589 61.300 -0.036 0.000 1.368 225 I CB -0.083 37.888 38.000 -0.049 0.000 1.058 225 I HN 0.110 nan 8.210 nan 0.000 0.410 226 L N -0.181 121.019 121.223 -0.038 0.000 2.492 226 L HA -0.065 4.276 4.340 0.000 0.000 0.223 226 L C 1.728 178.583 176.870 -0.026 0.000 1.132 226 L CA 0.460 55.278 54.840 -0.038 0.000 0.850 226 L CB -0.437 41.594 42.059 -0.047 0.000 0.966 226 L HN 0.195 nan 8.230 nan 0.000 0.454 227 D N -0.292 120.095 120.400 -0.022 0.000 2.137 227 D HA -0.117 4.523 4.640 0.000 0.000 0.202 227 D C 0.865 177.157 176.300 -0.014 0.000 0.970 227 D CA 0.851 54.841 54.000 -0.016 0.000 0.837 227 D CB 0.001 40.792 40.800 -0.015 0.000 0.981 227 D HN 0.164 nan 8.370 nan 0.000 0.475 228 D N 0.877 121.268 120.400 -0.015 0.000 2.363 228 D HA -0.006 4.635 4.640 0.000 0.000 0.263 228 D C -1.783 174.513 176.300 -0.008 0.000 1.258 228 D CA -1.443 52.549 54.000 -0.013 0.000 0.907 228 D CB 1.806 42.597 40.800 -0.016 0.000 1.107 228 D HN -0.026 nan 8.370 nan 0.000 0.495 229 P HA 0.013 nan 4.420 nan 0.000 0.229 229 P C 1.404 178.708 177.300 0.007 0.000 1.160 229 P CA 0.483 63.583 63.100 -0.001 0.000 0.777 229 P CB 0.417 32.116 31.700 -0.002 0.000 0.814 230 L N -1.485 119.741 121.223 0.005 0.000 2.253 230 L HA 0.022 4.362 4.340 0.000 0.000 0.205 230 L C 2.328 179.219 176.870 0.035 0.000 1.078 230 L CA 0.668 55.514 54.840 0.010 0.000 0.805 230 L CB -0.795 41.258 42.059 -0.011 0.000 0.963 230 L HN -0.143 nan 8.230 nan 0.000 0.459 231 V N -0.988 118.945 119.914 0.032 0.000 2.548 231 V HA -0.205 3.915 4.120 0.000 0.000 0.249 231 V C 2.498 178.643 176.094 0.085 0.000 1.055 231 V CA 1.958 64.305 62.300 0.080 0.000 1.065 231 V CB 0.330 32.179 31.823 0.042 0.000 0.681 231 V HN 0.388 nan 8.190 nan 0.000 0.462 232 S N 0.769 116.487 115.700 0.029 0.000 2.365 232 S HA -0.197 4.273 4.470 0.000 0.000 0.225 232 S C 2.128 176.733 174.600 0.009 0.000 1.039 232 S CA 1.687 59.887 58.200 -0.000 0.000 1.033 232 S CB -0.632 62.562 63.200 -0.011 0.000 0.887 232 S HN 0.847 nan 8.310 nan 0.000 0.447 233 A N 0.224 123.068 122.820 0.040 0.000 2.015 233 A HA 0.029 4.349 4.320 0.000 0.000 0.219 233 A C 1.844 179.491 177.584 0.105 0.000 1.163 233 A CA 0.912 52.981 52.037 0.052 0.000 0.646 233 A CB -0.699 18.332 19.000 0.051 0.000 0.806 233 A HN 0.577 nan 8.150 nan 0.000 0.448 234 F N -0.221 119.703 119.950 -0.043 0.000 2.206 234 F HA -0.201 4.326 4.527 0.000 0.000 0.298 234 F C 2.384 178.148 175.800 -0.061 0.000 1.090 234 F CA 1.456 59.428 58.000 -0.047 0.000 1.323 234 F CB -0.127 38.842 39.000 -0.051 0.000 1.028 234 F HN 0.294 nan 8.300 nan 0.000 0.492 235 C N 1.098 120.292 119.300 -0.177 0.000 2.436 235 C HA -0.180 4.280 4.460 0.000 0.000 0.277 235 C C 2.671 177.501 174.990 -0.266 0.000 1.241 235 C CA 1.056 59.894 59.018 -0.300 0.000 1.721 235 C CB -1.367 26.253 27.740 -0.201 0.000 2.043 235 C HN 0.499 nan 8.230 nan 0.000 0.472 236 L N 1.204 122.336 121.223 -0.153 0.000 2.079 236 L HA -0.185 4.155 4.340 0.000 0.000 0.210 236 L C 2.863 179.693 176.870 -0.066 0.000 1.081 236 L CA 1.629 56.410 54.840 -0.098 0.000 0.752 236 L CB -0.887 41.150 42.059 -0.036 0.000 0.896 236 L HN 0.374 nan 8.230 nan 0.000 0.433 237 A N -0.170 122.606 122.820 -0.073 0.000 1.873 237 A HA -0.126 4.194 4.320 0.000 0.000 0.215 237 A C 2.360 179.885 177.584 -0.098 0.000 1.186 237 A CA 1.676 53.687 52.037 -0.043 0.000 0.616 237 A CB -0.797 18.215 19.000 0.020 0.000 0.823 237 A HN 0.166 nan 8.150 nan 0.000 0.442 238 V N -0.022 119.735 119.914 -0.263 0.000 2.343 238 V HA -0.327 3.793 4.120 0.000 0.000 0.247 238 V C 2.652 178.659 176.094 -0.146 0.000 1.051 238 V CA 2.312 64.445 62.300 -0.278 0.000 1.036 238 V CB -0.732 30.782 31.823 -0.514 0.000 0.654 238 V HN 0.575 nan 8.190 nan 0.000 0.451 239 M N -0.205 119.293 119.600 -0.171 0.000 2.149 239 M HA -0.170 4.310 4.480 0.000 0.000 0.261 239 M C 2.307 178.774 176.300 0.279 0.000 1.064 239 M CA 2.090 57.344 55.300 -0.077 0.000 1.102 239 M CB -0.549 31.845 32.600 -0.343 0.000 1.369 239 M HN 0.403 nan 8.290 nan 0.000 0.408 240 A N 0.178 123.095 122.820 0.162 0.000 1.930 240 A HA -0.157 4.163 4.320 0.000 0.000 0.217 240 A C 1.931 179.606 177.584 0.152 0.000 1.175 240 A CA 1.544 53.686 52.037 0.175 0.000 0.627 240 A CB -0.572 18.491 19.000 0.104 0.000 0.815 240 A HN 0.533 nan 8.150 nan 0.000 0.443 241 E N -0.179 120.087 120.200 0.111 0.000 2.072 241 E HA -0.092 4.259 4.350 0.000 0.000 0.191 241 E C 2.315 179.021 176.600 0.177 0.000 0.985 241 E CA 0.887 57.352 56.400 0.109 0.000 0.801 241 E CB -0.276 29.460 29.700 0.061 0.000 0.750 241 E HN 0.611 nan 8.360 nan 0.000 0.452 242 A N 1.733 124.685 122.820 0.220 0.000 1.933 242 A HA -0.203 4.117 4.320 0.000 0.000 0.218 242 A C 2.065 179.947 177.584 0.497 0.000 1.175 242 A CA 1.423 53.669 52.037 0.348 0.000 0.628 242 A CB -0.302 18.856 19.000 0.263 0.000 0.814 242 A HN 0.032 nan 8.150 nan 0.000 0.444 243 K N -0.477 120.143 120.400 0.365 0.000 2.103 243 K HA -0.000 4.320 4.320 0.000 0.000 0.204 243 K C 2.124 178.796 176.600 0.120 0.000 1.052 243 K CA 0.954 57.330 56.287 0.149 0.000 0.945 243 K CB -0.241 32.292 32.500 0.055 0.000 0.722 243 K HN 0.389 nan 8.250 nan 0.000 0.443 244 A N 1.066 123.968 122.820 0.136 0.000 1.930 244 A HA -0.094 4.227 4.320 0.000 0.000 0.217 244 A C 1.984 179.614 177.584 0.077 0.000 1.175 244 A CA 1.124 53.212 52.037 0.085 0.000 0.627 244 A CB -0.415 18.635 19.000 0.083 0.000 0.815 244 A HN 0.277 nan 8.150 nan 0.000 0.443 245 I N -0.384 120.273 120.570 0.145 0.000 2.252 245 I HA -0.152 4.018 4.170 0.000 0.000 0.245 245 I C 2.673 178.739 176.117 -0.085 0.000 1.102 245 I CA 1.055 62.423 61.300 0.113 0.000 1.385 245 I CB -0.531 37.642 38.000 0.288 0.000 1.064 245 I HN 0.380 nan 8.210 nan 0.000 0.414 246 G N 0.504 109.270 108.800 -0.056 0.000 2.402 246 G HA2 -0.209 3.751 3.960 0.000 0.000 0.216 246 G HA3 -0.209 3.751 3.960 0.000 0.000 0.216 246 G C 1.836 176.558 174.900 -0.296 0.000 1.162 246 G CA 0.718 45.502 45.100 -0.527 0.000 0.777 246 G HN 0.473 nan 8.290 nan 0.000 0.539 247 A N 0.252 123.000 122.820 -0.120 0.000 2.070 247 A HA 0.063 4.383 4.320 0.000 0.000 0.220 247 A C 2.353 179.890 177.584 -0.079 0.000 1.159 247 A CA 1.207 53.193 52.037 -0.085 0.000 0.656 247 A CB -0.227 18.745 19.000 -0.047 0.000 0.800 247 A HN 0.366 nan 8.150 nan 0.000 0.453 248 R N -0.645 119.804 120.500 -0.084 0.000 2.290 248 R HA 0.216 4.556 4.340 0.000 0.000 0.197 248 R C 1.189 177.448 176.300 -0.068 0.000 0.913 248 R CA 0.852 56.916 56.100 -0.060 0.000 1.040 248 R CB -0.032 30.247 30.300 -0.035 0.000 0.992 248 R HN 0.777 nan 8.270 nan 0.000 0.500 249 I N -4.284 116.216 120.570 -0.116 0.000 3.974 249 I HA 0.467 4.637 4.170 0.000 0.000 0.334 249 I C 0.643 176.733 176.117 -0.044 0.000 1.437 249 I CA 0.120 61.390 61.300 -0.050 0.000 1.113 249 I CB 1.046 39.038 38.000 -0.013 0.000 1.063 249 I HN 0.115 nan 8.210 nan 0.000 0.400 250 G N 1.381 110.134 108.800 -0.079 0.000 2.176 250 G HA2 -0.226 3.734 3.960 0.000 0.000 0.232 250 G HA3 -0.226 3.734 3.960 0.000 0.000 0.232 250 G C 0.115 174.971 174.900 -0.075 0.000 0.986 250 G CA -0.022 45.040 45.100 -0.062 0.000 0.643 250 G HN 0.485 nan 8.290 nan 0.000 0.522 251 C N 2.880 122.105 119.300 -0.125 0.000 2.787 251 C HA 0.551 5.011 4.460 0.000 0.000 0.265 251 C C -1.749 173.196 174.990 -0.075 0.000 1.190 251 C CA -1.841 57.130 59.018 -0.078 0.000 1.616 251 C CB 0.314 28.026 27.740 -0.046 0.000 1.732 251 C HN 0.410 nan 8.230 nan 0.000 0.433 252 P HA 0.388 nan 4.420 nan 0.000 0.275 252 P C -0.701 176.559 177.300 -0.066 0.000 1.227 252 P CA 0.130 63.190 63.100 -0.065 0.000 0.781 252 P CB 1.042 32.708 31.700 -0.057 0.000 0.906 253 I N 2.085 122.579 120.570 -0.126 0.000 2.336 253 I HA 0.223 4.393 4.170 0.000 0.000 0.292 253 I C 1.780 177.800 176.117 -0.163 0.000 0.991 253 I CA -0.115 61.071 61.300 -0.190 0.000 1.227 253 I CB 1.304 38.974 38.000 -0.550 0.000 1.366 253 I HN 0.415 nan 8.210 nan 0.000 0.466 254 E N 3.740 123.884 120.200 -0.093 0.000 2.076 254 E HA -0.077 4.273 4.350 0.000 0.000 0.190 254 E C 0.839 177.437 176.600 -0.004 0.000 0.979 254 E CA 0.408 56.780 56.400 -0.048 0.000 0.807 254 E CB 0.275 29.950 29.700 -0.041 0.000 0.761 254 E HN 0.662 nan 8.360 nan 0.000 0.454 255 Q N 1.364 121.198 119.800 0.055 0.000 2.364 255 Q HA 0.027 4.368 4.340 0.000 0.000 0.267 255 Q C -0.588 175.538 176.000 0.212 0.000 0.999 255 Q CA -0.265 55.649 55.803 0.186 0.000 0.886 255 Q CB 0.855 29.841 28.738 0.413 0.000 1.243 255 Q HN 0.165 nan 8.270 nan 0.000 0.415 256 S N 2.002 117.852 115.700 0.249 0.000 2.601 256 S HA 0.274 4.744 4.470 0.000 0.000 0.271 256 S C 1.123 175.985 174.600 0.437 0.000 1.305 256 S CA -0.344 58.027 58.200 0.285 0.000 1.022 256 S CB 1.461 64.759 63.200 0.163 0.000 0.940 256 S HN 0.809 nan 8.310 nan 0.000 0.525 257 G N 1.296 110.351 108.800 0.424 0.000 2.432 257 G HA2 -0.143 3.817 3.960 0.000 0.000 0.219 257 G HA3 -0.143 3.817 3.960 0.000 0.000 0.219 257 G C 1.017 175.910 174.900 -0.011 0.000 1.135 257 G CA 0.814 46.005 45.100 0.151 0.000 0.767 257 G HN 0.808 nan 8.290 nan 0.000 0.550 258 E N 0.699 120.929 120.200 0.049 0.000 2.107 258 E HA 0.184 4.534 4.350 0.000 0.000 0.191 258 E C 2.734 179.346 176.600 0.020 0.000 0.982 258 E CA 0.911 57.319 56.400 0.014 0.000 0.809 258 E CB -0.287 29.430 29.700 0.029 0.000 0.756 258 E HN 0.365 nan 8.360 nan 0.000 0.459 259 A N 1.095 123.955 122.820 0.066 0.000 1.930 259 A HA -0.126 4.194 4.320 0.000 0.000 0.217 259 A C 2.148 179.769 177.584 0.062 0.000 1.175 259 A CA 1.595 53.676 52.037 0.072 0.000 0.627 259 A CB -0.332 18.732 19.000 0.108 0.000 0.815 259 A HN 0.077 nan 8.150 nan 0.000 0.443 260 R N 0.378 120.916 120.500 0.063 0.000 2.092 260 R HA -0.016 4.324 4.340 0.000 0.000 0.231 260 R C 2.024 178.259 176.300 -0.107 0.000 1.119 260 R CA 2.082 58.171 56.100 -0.018 0.000 0.970 260 R CB -0.765 29.453 30.300 -0.136 0.000 0.864 260 R HN 0.368 nan 8.270 nan 0.000 0.440 261 S N 0.054 115.679 115.700 -0.124 0.000 2.423 261 S HA -0.026 4.444 4.470 0.000 0.000 0.231 261 S C 1.818 176.379 174.600 -0.065 0.000 1.014 261 S CA 0.911 59.040 58.200 -0.119 0.000 0.965 261 S CB -0.169 62.962 63.200 -0.115 0.000 0.785 261 S HN 0.559 nan 8.310 nan 0.000 0.495 262 A N 0.973 123.773 122.820 -0.033 0.000 1.968 262 A HA 0.016 4.336 4.320 0.000 0.000 0.217 262 A C 2.218 179.795 177.584 -0.012 0.000 1.169 262 A CA 1.093 53.121 52.037 -0.015 0.000 0.638 262 A CB -0.575 18.427 19.000 0.003 0.000 0.812 262 A HN 0.365 nan 8.150 nan 0.000 0.446 263 V N -0.077 119.831 119.914 -0.010 0.000 2.453 263 V HA -0.172 3.948 4.120 0.000 0.000 0.247 263 V C 2.625 178.708 176.094 -0.020 0.000 1.048 263 V CA 2.286 64.584 62.300 -0.004 0.000 1.049 263 V CB -1.313 30.520 31.823 0.015 0.000 0.672 263 V HN 0.610 nan 8.190 nan 0.000 0.457 264 T N 1.290 115.818 114.554 -0.043 0.000 2.857 264 T HA -0.148 4.202 4.350 0.000 0.000 0.266 264 T C 1.894 176.574 174.700 -0.033 0.000 1.048 264 T CA 1.448 63.518 62.100 -0.050 0.000 1.139 264 T CB -0.276 68.538 68.868 -0.089 0.000 0.874 264 T HN 0.662 nan 8.240 nan 0.000 0.455 265 R N 1.464 121.945 120.500 -0.032 0.000 2.193 265 R HA 0.098 4.438 4.340 0.000 0.000 0.213 265 R C 1.831 178.125 176.300 -0.010 0.000 1.055 265 R CA 0.829 56.917 56.100 -0.021 0.000 0.995 265 R CB -0.376 29.909 30.300 -0.023 0.000 0.893 265 R HN 0.367 nan 8.270 nan 0.000 0.459 266 Q N 0.813 120.607 119.800 -0.010 0.000 2.444 266 Q HA 0.141 4.481 4.340 0.000 0.000 0.206 266 Q C 1.736 177.732 176.000 -0.007 0.000 0.948 266 Q CA 0.266 56.065 55.803 -0.006 0.000 0.946 266 Q CB 0.196 28.931 28.738 -0.005 0.000 1.027 266 Q HN 0.355 nan 8.270 nan 0.000 0.513 267 L N -0.628 120.590 121.223 -0.007 0.000 2.291 267 L HA 0.001 4.341 4.340 0.000 0.000 0.214 267 L C 1.104 177.974 176.870 0.000 0.000 1.120 267 L CA 0.701 55.535 54.840 -0.010 0.000 0.799 267 L CB -0.102 41.953 42.059 -0.006 0.000 0.925 267 L HN 0.341 nan 8.230 nan 0.000 0.446 268 G N -1.048 107.762 108.800 0.016 0.000 2.352 268 G HA2 0.023 3.983 3.960 0.000 0.000 0.324 268 G HA3 0.023 3.983 3.960 0.000 0.000 0.324 268 G C -0.652 174.282 174.900 0.057 0.000 1.249 268 G CA -0.409 44.711 45.100 0.033 0.000 1.053 268 G HN 0.147 nan 8.290 nan 0.000 0.492 269 A N -0.158 122.708 122.820 0.075 0.000 3.215 269 A HA 0.711 5.031 4.320 0.000 0.000 0.269 269 A C -0.428 177.227 177.584 0.119 0.000 1.517 269 A CA -0.012 52.064 52.037 0.065 0.000 1.221 269 A CB -0.657 18.363 19.000 0.033 0.000 1.160 269 A HN 1.393 nan 8.150 nan 0.000 0.620 270 F N 0.575 120.503 119.950 -0.038 0.000 2.522 270 F HA 0.488 5.015 4.527 0.000 0.000 0.324 270 F C 0.555 176.328 175.800 -0.045 0.000 1.077 270 F CA -0.663 57.312 58.000 -0.041 0.000 0.944 270 F CB 1.604 40.577 39.000 -0.045 0.000 1.175 270 F HN 0.228 nan 8.300 nan 0.000 0.468 271 K N 1.086 121.163 120.400 -0.538 0.000 2.136 271 K HA 0.340 4.660 4.320 0.000 0.000 0.237 271 K C 0.029 176.566 176.600 -0.106 0.000 1.048 271 K CA -0.330 55.765 56.287 -0.319 0.000 0.880 271 K CB 0.511 32.756 32.500 -0.425 0.000 1.105 271 K HN 0.722 nan 8.250 nan 0.000 0.507 272 T N -2.890 111.613 114.554 -0.085 0.000 2.884 272 T HA 0.081 4.432 4.350 0.000 0.000 0.277 272 T C 1.314 175.999 174.700 -0.025 0.000 0.976 272 T CA -0.388 61.693 62.100 -0.032 0.000 0.956 272 T CB 1.272 70.109 68.868 -0.052 0.000 1.113 272 T HN 0.556 nan 8.240 nan 0.000 0.554 273 S N -0.176 115.517 115.700 -0.013 0.000 2.428 273 S HA -0.053 4.417 4.470 0.000 0.000 0.230 273 S C 2.077 176.667 174.600 -0.018 0.000 1.014 273 S CA 0.291 58.485 58.200 -0.009 0.000 0.957 273 S CB -0.715 62.480 63.200 -0.008 0.000 0.784 273 S HN 0.597 nan 8.310 nan 0.000 0.499 274 M N 0.662 120.244 119.600 -0.029 0.000 2.175 274 M HA 0.077 4.557 4.480 0.000 0.000 0.264 274 M C 2.098 178.384 176.300 -0.023 0.000 1.063 274 M CA 1.220 56.505 55.300 -0.024 0.000 1.119 274 M CB -0.472 32.106 32.600 -0.036 0.000 1.377 274 M HN 0.380 nan 8.290 nan 0.000 0.415 275 L N -0.808 120.389 121.223 -0.043 0.000 2.023 275 L HA -0.147 4.193 4.340 0.000 0.000 0.205 275 L C 1.072 177.911 176.870 -0.051 0.000 1.073 275 L CA 1.215 56.024 54.840 -0.052 0.000 0.745 275 L CB -0.083 41.922 42.059 -0.090 0.000 0.900 275 L HN 0.332 nan 8.230 nan 0.000 0.435 283 G N 1.494 110.304 108.800 0.017 0.000 2.895 283 G HA2 -0.105 3.855 3.960 0.000 0.000 0.686 283 G HA3 -0.105 3.855 3.960 0.000 0.000 0.686 283 G C -2.768 172.152 174.900 0.034 0.000 1.108 283 G CA -1.034 44.080 45.100 0.023 0.000 0.761 283 G HN 0.365 nan 8.290 nan 0.000 0.611 284 P HA 0.250 nan 4.420 nan 0.000 0.263 284 P C 0.718 178.067 177.300 0.081 0.000 1.195 284 P CA 0.040 63.178 63.100 0.064 0.000 0.762 284 P CB 0.559 32.284 31.700 0.042 0.000 0.799 285 L N 2.714 124.004 121.223 0.113 0.000 2.439 285 L HA 0.100 4.440 4.340 0.000 0.000 0.269 285 L C 1.485 178.420 176.870 0.108 0.000 1.179 285 L CA 0.050 54.944 54.840 0.090 0.000 0.828 285 L CB 0.056 42.157 42.059 0.069 0.000 1.106 285 L HN 0.421 nan 8.230 nan 0.000 0.467 286 E N 1.946 122.182 120.200 0.060 0.000 2.424 286 E HA 0.050 4.400 4.350 0.000 0.000 0.237 286 E C 1.257 177.880 176.600 0.039 0.000 1.381 286 E CA -0.118 56.314 56.400 0.053 0.000 1.587 286 E CB -0.052 29.663 29.700 0.024 0.000 1.398 286 E HN 0.535 nan 8.360 nan 0.000 0.439 287 I N 0.293 120.898 120.570 0.058 0.000 2.226 287 I HA -0.275 3.895 4.170 0.000 0.000 0.245 287 I C 1.667 177.803 176.117 0.030 0.000 1.100 287 I CA 0.792 62.086 61.300 -0.010 0.000 1.374 287 I CB -0.129 37.773 38.000 -0.163 0.000 1.057 287 I HN 0.242 nan 8.210 nan 0.000 0.413 288 D N 1.402 121.880 120.400 0.130 0.000 2.087 288 D HA -0.182 4.458 4.640 0.000 0.000 0.192 288 D C 2.292 178.623 176.300 0.051 0.000 0.993 288 D CA 1.880 55.949 54.000 0.116 0.000 0.828 288 D CB -0.203 40.684 40.800 0.145 0.000 0.968 288 D HN 0.361 nan 8.370 nan 0.000 0.448 289 A N 0.418 123.260 122.820 0.038 0.000 1.933 289 A HA -0.091 4.229 4.320 0.000 0.000 0.218 289 A C 2.417 179.970 177.584 -0.051 0.000 1.175 289 A CA 0.957 52.995 52.037 0.002 0.000 0.628 289 A CB -0.597 18.410 19.000 0.011 0.000 0.814 289 A HN 0.183 nan 8.150 nan 0.000 0.444 290 L N -1.276 119.913 121.223 -0.057 0.000 2.202 290 L HA -0.024 4.316 4.340 0.000 0.000 0.205 290 L C 2.039 178.836 176.870 -0.121 0.000 1.083 290 L CA 0.671 55.447 54.840 -0.107 0.000 0.790 290 L CB 0.040 42.040 42.059 -0.099 0.000 0.942 290 L HN 0.265 nan 8.230 nan 0.000 0.452 291 V N -1.728 118.139 119.914 -0.078 0.000 2.948 291 V HA 0.208 4.328 4.120 0.000 0.000 0.234 291 V C 2.331 178.406 176.094 -0.032 0.000 1.205 291 V CA 0.869 63.125 62.300 -0.073 0.000 1.234 291 V CB -0.329 31.449 31.823 -0.074 0.000 1.020 291 V HN 0.215 nan 8.190 nan 0.000 0.491 292 A N 1.620 124.438 122.820 -0.003 0.000 1.972 292 A HA -0.182 4.138 4.320 0.000 0.000 0.219 292 A C 2.490 180.100 177.584 0.044 0.000 1.169 292 A CA 2.342 54.397 52.037 0.029 0.000 0.635 292 A CB -0.712 18.324 19.000 0.061 0.000 0.810 292 A HN 0.692 nan 8.150 nan 0.000 0.446 293 S N -0.045 115.676 115.700 0.036 0.000 2.356 293 S HA -0.146 4.324 4.470 0.000 0.000 0.223 293 S C 1.738 176.396 174.600 0.097 0.000 1.032 293 S CA 1.565 59.802 58.200 0.061 0.000 1.005 293 S CB -1.114 62.097 63.200 0.019 0.000 0.867 293 S HN 0.332 nan 8.310 nan 0.000 0.449 294 V N 2.470 122.416 119.914 0.054 0.000 2.427 294 V HA -0.095 4.025 4.120 0.000 0.000 0.248 294 V C 2.897 179.071 176.094 0.133 0.000 1.051 294 V CA 1.977 64.350 62.300 0.121 0.000 1.048 294 V CB -1.048 30.767 31.823 -0.013 0.000 0.666 294 V HN 0.497 nan 8.190 nan 0.000 0.456 295 R N 0.193 120.737 120.500 0.073 0.000 2.081 295 R HA -0.207 4.133 4.340 0.000 0.000 0.235 295 R C 2.401 178.743 176.300 0.069 0.000 1.131 295 R CA 1.957 58.094 56.100 0.062 0.000 0.960 295 R CB -0.222 30.100 30.300 0.035 0.000 0.856 295 R HN 0.654 nan 8.270 nan 0.000 0.436 296 E N 0.345 120.597 120.200 0.086 0.000 2.077 296 E HA -0.181 4.169 4.350 0.000 0.000 0.193 296 E C 2.032 178.735 176.600 0.171 0.000 0.989 296 E CA 1.376 57.834 56.400 0.097 0.000 0.800 296 E CB -0.063 29.716 29.700 0.131 0.000 0.746 296 E HN 0.409 nan 8.360 nan 0.000 0.452 297 I N 0.358 121.064 120.570 0.226 0.000 2.315 297 I HA -0.153 4.017 4.170 0.000 0.000 0.248 297 I C 2.520 178.743 176.117 0.177 0.000 1.117 297 I CA 1.015 62.467 61.300 0.254 0.000 1.404 297 I CB -0.428 37.768 38.000 0.325 0.000 1.071 297 I HN 0.175 nan 8.210 nan 0.000 0.419 298 G N 1.071 109.960 108.800 0.148 0.000 2.418 298 G HA2 -0.245 3.715 3.960 0.000 0.000 0.217 298 G HA3 -0.245 3.715 3.960 0.000 0.000 0.217 298 G C 1.659 176.590 174.900 0.052 0.000 1.158 298 G CA 0.491 45.651 45.100 0.101 0.000 0.771 298 G HN 0.244 nan 8.290 nan 0.000 0.545 299 L N -0.135 121.094 121.223 0.011 0.000 2.093 299 L HA 0.022 4.362 4.340 0.000 0.000 0.208 299 L C 2.623 179.426 176.870 -0.111 0.000 1.085 299 L CA 1.529 56.327 54.840 -0.070 0.000 0.755 299 L CB -0.410 41.568 42.059 -0.135 0.000 0.904 299 L HN 0.243 nan 8.230 nan 0.000 0.435 300 H N -2.024 117.041 119.070 -0.008 0.000 2.363 300 H HA 0.007 4.563 4.556 0.000 0.000 0.301 300 H C 2.028 177.331 175.328 -0.042 0.000 1.074 300 H CA 1.760 57.785 56.048 -0.039 0.000 1.354 300 H CB -0.046 29.667 29.762 -0.083 0.000 1.397 300 H HN 0.229 nan 8.280 nan 0.000 0.516 301 V N 0.094 120.062 119.914 0.091 0.000 3.649 301 V HA 0.120 4.240 4.120 0.000 0.000 0.275 301 V C 1.463 177.573 176.094 0.027 0.000 1.281 301 V CA 1.020 63.343 62.300 0.038 0.000 1.143 301 V CB -0.216 31.621 31.823 0.022 0.000 0.892 301 V HN 0.780 nan 8.190 nan 0.000 0.441 302 G N -0.143 108.673 108.800 0.026 0.000 2.217 302 G HA2 -0.224 3.736 3.960 0.000 0.000 0.246 302 G HA3 -0.224 3.736 3.960 0.000 0.000 0.246 302 G C 0.293 175.206 174.900 0.022 0.000 0.990 302 G CA 0.177 45.288 45.100 0.017 0.000 0.627 302 G HN 0.488 nan 8.290 nan 0.000 0.522 303 V N 3.316 123.250 119.914 0.033 0.000 2.470 303 V HA 0.390 4.510 4.120 0.000 0.000 0.276 303 V C -1.296 174.822 176.094 0.040 0.000 1.040 303 V CA -0.940 61.385 62.300 0.041 0.000 1.008 303 V CB 1.109 32.967 31.823 0.058 0.000 0.990 303 V HN 0.198 nan 8.190 nan 0.000 0.477 304 P HA 0.240 nan 4.420 nan 0.000 0.271 304 P C 0.051 177.376 177.300 0.040 0.000 1.218 304 P CA -0.101 63.018 63.100 0.032 0.000 0.780 304 P CB 0.448 32.165 31.700 0.028 0.000 0.901 305 T N -1.770 112.807 114.554 0.038 0.000 3.624 305 T HA 0.261 4.611 4.350 0.000 0.000 0.244 305 T C -1.931 172.795 174.700 0.043 0.000 1.063 305 T CA -1.395 60.730 62.100 0.042 0.000 1.252 305 T CB 0.177 69.070 68.868 0.043 0.000 1.021 305 T HN 0.192 nan 8.240 nan 0.000 0.590 306 P HA -0.111 nan 4.420 nan 0.000 0.221 306 P C 1.445 178.802 177.300 0.094 0.000 1.150 306 P CA 1.006 64.141 63.100 0.057 0.000 0.800 306 P CB 0.303 32.034 31.700 0.051 0.000 0.787 307 Q N -0.115 119.749 119.800 0.108 0.000 2.079 307 Q HA -0.044 4.296 4.340 0.000 0.000 0.200 307 Q C 2.502 178.575 176.000 0.122 0.000 0.974 307 Q CA 1.096 57.010 55.803 0.186 0.000 0.840 307 Q CB -0.757 28.036 28.738 0.091 0.000 0.898 307 Q HN 0.372 nan 8.270 nan 0.000 0.430 308 I N 1.453 122.039 120.570 0.026 0.000 2.315 308 I HA -0.255 3.915 4.170 0.000 0.000 0.248 308 I C 1.618 177.757 176.117 0.037 0.000 1.117 308 I CA 1.024 62.322 61.300 -0.002 0.000 1.404 308 I CB -0.241 37.751 38.000 -0.013 0.000 1.071 308 I HN 0.066 nan 8.210 nan 0.000 0.419 309 D N 0.434 120.864 120.400 0.050 0.000 2.104 309 D HA -0.162 4.478 4.640 0.000 0.000 0.194 309 D C 2.223 178.554 176.300 0.053 0.000 0.994 309 D CA 1.625 55.651 54.000 0.043 0.000 0.830 309 D CB -0.482 40.341 40.800 0.038 0.000 0.959 309 D HN 0.236 nan 8.370 nan 0.000 0.452 310 T N 1.058 115.666 114.554 0.090 0.000 2.708 310 T HA -0.136 4.214 4.350 0.000 0.000 0.266 310 T C 1.920 176.688 174.700 0.113 0.000 1.037 310 T CA 0.602 62.753 62.100 0.086 0.000 1.146 310 T CB -0.384 68.540 68.868 0.094 0.000 0.865 310 T HN 0.027 nan 8.240 nan 0.000 0.435 311 L N 1.034 122.391 121.223 0.222 0.000 2.046 311 L HA 0.006 4.346 4.340 0.000 0.000 0.208 311 L C 2.166 179.059 176.870 0.039 0.000 1.077 311 L CA 1.489 56.438 54.840 0.181 0.000 0.747 311 L CB -0.784 41.346 42.059 0.118 0.000 0.896 311 L HN 0.186 nan 8.230 nan 0.000 0.432 312 L N -0.347 120.882 121.223 0.010 0.000 2.017 312 L HA 0.013 4.353 4.340 0.000 0.000 0.208 312 L C 2.328 179.168 176.870 -0.050 0.000 1.073 312 L CA 2.144 56.963 54.840 -0.036 0.000 0.745 312 L CB -1.500 40.545 42.059 -0.023 0.000 0.894 312 L HN 0.285 nan 8.230 nan 0.000 0.432 313 G N -0.577 108.212 108.800 -0.018 0.000 2.418 313 G HA2 -0.229 3.731 3.960 0.000 0.000 0.217 313 G HA3 -0.229 3.731 3.960 0.000 0.000 0.217 313 G C 1.475 176.359 174.900 -0.026 0.000 1.158 313 G CA 1.009 46.099 45.100 -0.018 0.000 0.771 313 G HN 0.364 nan 8.290 nan 0.000 0.545 314 L N 0.056 121.267 121.223 -0.020 0.000 2.072 314 L HA 0.096 4.436 4.340 0.000 0.000 0.205 314 L C 2.869 179.729 176.870 -0.017 0.000 1.079 314 L CA 0.839 55.668 54.840 -0.019 0.000 0.752 314 L CB -0.720 41.322 42.059 -0.029 0.000 0.906 314 L HN 0.128 nan 8.230 nan 0.000 0.436 315 V N 0.502 120.388 119.914 -0.047 0.000 2.719 315 V HA -0.171 3.949 4.120 0.000 0.000 0.252 315 V C 2.768 178.793 176.094 -0.115 0.000 1.065 315 V CA 1.298 63.562 62.300 -0.060 0.000 1.086 315 V CB -0.347 31.423 31.823 -0.088 0.000 0.700 315 V HN 0.597 nan 8.190 nan 0.000 0.467 316 R N -0.327 120.044 120.500 -0.215 0.000 2.115 316 R HA -0.032 4.308 4.340 0.000 0.000 0.226 316 R C 2.092 178.306 176.300 -0.144 0.000 1.100 316 R CA 1.619 57.471 56.100 -0.413 0.000 0.980 316 R CB -0.553 29.435 30.300 -0.520 0.000 0.875 316 R HN 0.442 nan 8.270 nan 0.000 0.445 317 L N 0.430 121.629 121.223 -0.040 0.000 2.156 317 L HA -0.085 4.255 4.340 0.000 0.000 0.208 317 L C 2.683 179.571 176.870 0.030 0.000 1.095 317 L CA 1.507 56.356 54.840 0.015 0.000 0.770 317 L CB -0.567 41.502 42.059 0.018 0.000 0.914 317 L HN 0.356 nan 8.230 nan 0.000 0.439 318 H N 0.240 119.282 119.070 -0.047 0.000 2.353 318 H HA -0.139 4.417 4.556 0.000 0.000 0.300 318 H C 2.044 177.358 175.328 -0.024 0.000 1.090 318 H CA 1.775 57.801 56.048 -0.037 0.000 1.327 318 H CB 0.238 29.972 29.762 -0.048 0.000 1.383 318 H HN 0.273 nan 8.280 nan 0.000 0.508 319 A N -0.259 122.547 122.820 -0.024 0.000 2.072 319 A HA -0.033 4.287 4.320 0.000 0.000 0.216 319 A C 2.255 179.858 177.584 0.031 0.000 1.156 319 A CA 0.886 52.908 52.037 -0.026 0.000 0.701 319 A CB -0.316 18.705 19.000 0.034 0.000 0.816 319 A HN 0.597 nan 8.150 nan 0.000 0.458 320 Q N -0.569 119.268 119.800 0.062 0.000 2.172 320 Q HA -0.107 4.233 4.340 0.000 0.000 0.200 320 Q C 1.793 177.805 176.000 0.020 0.000 0.964 320 Q CA 1.691 57.552 55.803 0.097 0.000 0.855 320 Q CB -0.100 28.715 28.738 0.129 0.000 0.918 320 Q HN 0.615 nan 8.270 nan 0.000 0.444 321 T N 0.592 115.127 114.554 -0.032 0.000 2.746 321 T HA -0.087 4.263 4.350 0.000 0.000 0.267 321 T C 0.817 175.475 174.700 -0.069 0.000 1.039 321 T CA 0.964 63.030 62.100 -0.056 0.000 1.142 321 T CB -0.001 68.813 68.868 -0.089 0.000 0.866 321 T HN 0.241 nan 8.240 nan 0.000 0.444 322 R N 0.046 120.486 120.500 -0.101 0.000 2.527 322 R HA 0.504 4.844 4.340 0.000 0.000 0.236 322 R C 1.243 177.525 176.300 -0.029 0.000 1.257 322 R CA -0.259 55.794 56.100 -0.078 0.000 1.088 322 R CB 0.107 30.337 30.300 -0.117 0.000 1.396 322 R HN 0.213 nan 8.270 nan 0.000 0.571 323 G N 0.483 109.272 108.800 -0.018 0.000 4.084 323 G HA2 0.281 4.241 3.960 0.000 0.000 0.293 323 G HA3 0.281 4.241 3.960 0.000 0.000 0.293 323 G C 0.301 175.213 174.900 0.020 0.000 1.303 323 G CA -0.200 44.901 45.100 0.001 0.000 1.289 323 G HN 0.251 nan 8.290 nan 0.000 0.609 324 L N -1.048 120.201 121.223 0.044 0.000 3.016 324 L HA 0.482 4.822 4.340 0.000 0.000 0.267 324 L C -0.047 176.933 176.870 0.184 0.000 1.182 324 L CA -0.200 54.687 54.840 0.078 0.000 0.997 324 L CB 0.155 42.246 42.059 0.053 0.000 1.354 324 L HN 0.340 nan 8.230 nan 0.000 0.569 325 Y N 0.000 120.295 120.300 -0.008 0.000 2.660 325 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 325 Y CA 0.000 58.100 58.100 -0.000 0.000 1.940 325 Y CB 0.000 38.463 38.460 0.004 0.000 1.050 325 Y HN 0.000 nan 8.280 nan 0.000 0.758