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 2zz0_1_D DATA FIRST_RESID 10 DATA SEQUENCE SYDYDLIIIG GGSGGLAAAK EAAQYGKKVM VLDFVTPTPL GTRWGLGGTc DATA SEQUENCE VNVGcIPKKL MHQAALLGQA LQDSRNYGWK VEETVKHDWD RMIEAVQNHI DATA SEQUENCE GSLNWGYRVA LREKKVVYEN AYGQFIGPHR IKATNNKGKE KIYSAERFLI DATA SEQUENCE ATGERPRYLG IPGDKEYCIS SDDLFSLPYC PGKTLVVGAS YVALECAGFL DATA SEQUENCE AGIGLDVTVM VRSILLRGFD QDMANKIGEH MEEHGIKFIR QFVPIKVEQI DATA SEQUENCE EAGTPGRLRV VAQSTNSEEI IEGEYNTVML AIGRDACTRK IGLETVGVKI DATA SEQUENCE NEKTGKIPVT DEEQTNVPYI YAIGDILEDK VELTPVAIQA GRLLAQRLYA DATA SEQUENCE GSTVKCDYEN VPTTVFTPLE YGACGLSEEK AVEKFGEENI EVYHSYFWPL DATA SEQUENCE EWTIPSRDNN KCYAKIICNT KDNERVVGFH VLGPNAGEVT QGFAAALKCG DATA SEQUENCE LTKKQLDSTI GIHPVCAEVF TTLSVTKRSG ASIL 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 10 S HA 0.000 nan 4.470 nan 0.000 0.327 10 S C 0.000 174.313 174.600 -0.478 0.000 1.055 10 S CA 0.000 57.966 58.200 -0.390 0.000 1.107 10 S CB 0.000 62.840 63.200 -0.601 0.000 0.593 11 Y N 2.167 122.469 120.300 0.003 0.000 2.562 11 Y HA 0.505 5.055 4.550 -0.000 0.000 0.343 11 Y C 0.714 176.621 175.900 0.011 0.000 1.025 11 Y CA -1.235 56.890 58.100 0.041 0.000 1.082 11 Y CB 0.632 39.148 38.460 0.093 0.000 1.264 11 Y HN -0.063 nan 8.280 nan 0.000 0.478 12 D N 0.267 120.802 120.400 0.224 0.000 2.178 12 D HA -0.101 4.539 4.640 -0.000 0.000 0.202 12 D C -0.560 175.548 176.300 -0.320 0.000 0.974 12 D CA 1.933 55.919 54.000 -0.024 0.000 0.841 12 D CB 0.071 40.949 40.800 0.129 0.000 0.953 12 D HN 0.430 nan 8.370 nan 0.000 0.478 13 Y N -0.751 119.613 120.300 0.106 0.000 2.588 13 Y HA 0.198 4.748 4.550 -0.000 0.000 0.343 13 Y C 0.750 176.662 175.900 0.020 0.000 1.065 13 Y CA -1.024 57.085 58.100 0.014 0.000 1.038 13 Y CB 1.544 39.953 38.460 -0.085 0.000 1.297 13 Y HN -0.329 nan 8.280 nan 0.000 0.467 14 D N 0.792 121.296 120.400 0.173 0.000 2.289 14 D HA 0.047 4.687 4.640 -0.000 0.000 0.207 14 D C -0.457 175.901 176.300 0.097 0.000 0.966 14 D CA 1.270 55.337 54.000 0.112 0.000 0.868 14 D CB 0.855 41.661 40.800 0.010 0.000 0.943 14 D HN 0.211 nan 8.370 nan 0.000 0.514 15 L N 0.503 121.739 121.223 0.021 0.000 2.549 15 L HA 0.368 4.708 4.340 -0.000 0.000 0.259 15 L C -1.918 174.770 176.870 -0.303 0.000 0.934 15 L CA -0.412 54.384 54.840 -0.074 0.000 0.865 15 L CB 2.437 44.522 42.059 0.042 0.000 1.352 15 L HN -0.261 nan 8.230 nan 0.000 0.410 16 I N 5.306 125.543 120.570 -0.556 0.000 2.509 16 I HA 0.524 4.693 4.170 -0.000 0.000 0.293 16 I C -0.959 174.910 176.117 -0.412 0.000 1.020 16 I CA -0.805 60.075 61.300 -0.700 0.000 1.088 16 I CB 2.010 39.304 38.000 -1.175 0.000 1.267 16 I HN 0.354 nan 8.210 nan 0.000 0.430 17 I N 6.819 127.224 120.570 -0.275 0.000 2.418 17 I HA 0.411 4.581 4.170 -0.000 0.000 0.287 17 I C -0.044 176.013 176.117 -0.100 0.000 1.008 17 I CA -0.609 60.619 61.300 -0.120 0.000 1.104 17 I CB 1.429 39.374 38.000 -0.091 0.000 1.264 17 I HN 0.349 nan 8.210 nan 0.000 0.438 18 I N 4.834 125.385 120.570 -0.033 0.000 2.315 18 I HA 0.604 4.774 4.170 -0.000 0.000 0.291 18 I C 0.647 176.748 176.117 -0.026 0.000 1.006 18 I CA -0.349 60.922 61.300 -0.048 0.000 1.265 18 I CB 1.216 39.196 38.000 -0.034 0.000 1.387 18 I HN 0.793 nan 8.210 nan 0.000 0.475 19 G N 3.797 112.577 108.800 -0.034 0.000 3.445 19 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.686 19 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.686 19 G C -0.023 174.870 174.900 -0.012 0.000 1.113 19 G CA -0.515 44.581 45.100 -0.008 0.000 0.974 19 G HN 1.095 nan 8.290 nan 0.000 0.492 20 G N 0.958 109.757 108.800 -0.001 0.000 4.178 20 G HA2 0.690 4.650 3.960 -0.000 0.000 0.287 20 G HA3 0.690 4.650 3.960 -0.000 0.000 0.287 20 G C 0.795 175.627 174.900 -0.113 0.000 1.293 20 G CA 0.801 45.869 45.100 -0.053 0.000 1.393 20 G HN 1.252 nan 8.290 nan 0.000 0.623 21 G N 0.077 108.825 108.800 -0.087 0.000 2.890 21 G HA2 0.421 4.381 3.960 -0.000 0.000 0.189 21 G HA3 0.421 4.381 3.960 -0.000 0.000 0.189 21 G C 1.218 176.031 174.900 -0.146 0.000 1.342 21 G CA 0.389 45.427 45.100 -0.104 0.000 1.026 21 G HN 0.199 nan 8.290 nan 0.000 0.579 22 S N -0.049 115.596 115.700 -0.092 0.000 2.377 22 S HA -0.168 4.302 4.470 -0.000 0.000 0.224 22 S C 2.446 177.013 174.600 -0.055 0.000 1.042 22 S CA 1.960 60.116 58.200 -0.074 0.000 1.086 22 S CB -0.919 62.270 63.200 -0.018 0.000 0.995 22 S HN 0.819 nan 8.310 nan 0.000 0.428 23 G N 0.834 109.622 108.800 -0.020 0.000 2.421 23 G HA2 0.090 4.049 3.960 -0.000 0.000 0.217 23 G HA3 0.090 4.049 3.960 -0.000 0.000 0.217 23 G C 1.376 176.264 174.900 -0.019 0.000 1.143 23 G CA 0.887 45.983 45.100 -0.006 0.000 0.784 23 G HN 0.574 nan 8.290 nan 0.000 0.541 24 G N 1.411 110.190 108.800 -0.034 0.000 2.552 24 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 24 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 24 G C 1.773 176.633 174.900 -0.066 0.000 1.240 24 G CA 0.921 45.995 45.100 -0.044 0.000 0.796 24 G HN 0.392 nan 8.290 nan 0.000 0.568 25 L N 0.960 122.110 121.223 -0.123 0.000 2.081 25 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 25 L C 3.408 180.241 176.870 -0.062 0.000 1.080 25 L CA 1.098 55.854 54.840 -0.140 0.000 0.754 25 L CB -0.456 41.408 42.059 -0.324 0.000 0.893 25 L HN 0.339 nan 8.230 nan 0.000 0.433 26 A N 0.019 122.812 122.820 -0.045 0.000 1.877 26 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 26 A C 2.561 180.154 177.584 0.014 0.000 1.186 26 A CA 1.749 53.784 52.037 -0.003 0.000 0.620 26 A CB -0.752 18.246 19.000 -0.002 0.000 0.822 26 A HN 0.387 nan 8.150 nan 0.000 0.443 27 A N -0.140 122.684 122.820 0.008 0.000 1.902 27 A HA 0.177 4.497 4.320 -0.000 0.000 0.217 27 A C 2.526 180.131 177.584 0.035 0.000 1.181 27 A CA 2.134 54.187 52.037 0.026 0.000 0.623 27 A CB -1.143 17.866 19.000 0.015 0.000 0.818 27 A HN 1.091 nan 8.150 nan 0.000 0.443 28 A N 0.279 123.100 122.820 0.001 0.000 1.869 28 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 28 A C 2.127 179.716 177.584 0.008 0.000 1.203 28 A CA 2.139 54.169 52.037 -0.012 0.000 0.638 28 A CB -0.626 18.349 19.000 -0.042 0.000 0.831 28 A HN 0.568 nan 8.150 nan 0.000 0.450 29 K N -1.029 119.378 120.400 0.012 0.000 2.026 29 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 29 K C 2.151 178.780 176.600 0.048 0.000 1.048 29 K CA 1.622 57.920 56.287 0.019 0.000 0.929 29 K CB -0.193 32.320 32.500 0.022 0.000 0.713 29 K HN 0.506 nan 8.250 nan 0.000 0.439 30 E N 0.979 121.231 120.200 0.087 0.000 2.077 30 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 30 E C 1.806 178.587 176.600 0.302 0.000 0.989 30 E CA 1.424 57.931 56.400 0.178 0.000 0.800 30 E CB -0.132 29.677 29.700 0.181 0.000 0.746 30 E HN 0.322 nan 8.360 nan 0.000 0.452 31 A N 0.673 123.624 122.820 0.218 0.000 1.873 31 A HA -0.038 4.282 4.320 -0.000 0.000 0.215 31 A C 2.445 180.085 177.584 0.094 0.000 1.186 31 A CA 1.944 54.105 52.037 0.207 0.000 0.616 31 A CB -1.064 18.003 19.000 0.112 0.000 0.823 31 A HN 0.368 nan 8.150 nan 0.000 0.442 32 A N -0.645 122.194 122.820 0.031 0.000 1.917 32 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 32 A C 2.069 179.644 177.584 -0.015 0.000 1.182 32 A CA 1.739 53.768 52.037 -0.013 0.000 0.633 32 A CB -0.686 18.302 19.000 -0.020 0.000 0.819 32 A HN 0.653 nan 8.150 nan 0.000 0.448 33 Q N -1.816 117.968 119.800 -0.028 0.000 2.308 33 Q HA -0.200 4.140 4.340 -0.000 0.000 0.209 33 Q C 0.527 176.352 176.000 -0.291 0.000 0.985 33 Q CA 1.444 57.133 55.803 -0.189 0.000 0.881 33 Q CB -0.227 28.325 28.738 -0.311 0.000 0.917 33 Q HN 0.915 nan 8.270 nan 0.000 0.443 34 Y N -0.768 119.515 120.300 -0.028 0.000 2.583 34 Y HA 0.282 4.832 4.550 -0.000 0.000 0.294 34 Y C 1.101 176.968 175.900 -0.055 0.000 1.170 34 Y CA 0.122 58.211 58.100 -0.018 0.000 1.265 34 Y CB 0.462 38.944 38.460 0.036 0.000 1.119 34 Y HN 0.081 nan 8.280 nan 0.000 0.522 35 G N 0.999 109.814 108.800 0.025 0.000 2.298 35 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.287 35 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.287 35 G C -0.128 174.745 174.900 -0.045 0.000 1.075 35 G CA -0.278 44.816 45.100 -0.010 0.000 0.960 35 G HN 0.136 nan 8.290 nan 0.000 0.502 36 K N -0.255 120.082 120.400 -0.104 0.000 2.208 36 K HA 0.431 4.751 4.320 -0.000 0.000 0.247 36 K C 0.267 176.813 176.600 -0.091 0.000 0.953 36 K CA -0.873 55.306 56.287 -0.180 0.000 0.837 36 K CB 1.729 33.932 32.500 -0.495 0.000 1.131 36 K HN 0.188 nan 8.250 nan 0.000 0.431 37 K N 1.741 122.121 120.400 -0.033 0.000 2.285 37 K HA 0.286 4.606 4.320 -0.000 0.000 0.286 37 K C -0.719 175.957 176.600 0.126 0.000 1.072 37 K CA -0.322 56.007 56.287 0.071 0.000 0.913 37 K CB 0.847 33.393 32.500 0.077 0.000 1.067 37 K HN 0.214 nan 8.250 nan 0.000 0.479 38 V N 4.838 124.800 119.914 0.080 0.000 2.735 38 V HA 0.463 4.583 4.120 -0.000 0.000 0.310 38 V C -0.461 175.487 176.094 -0.244 0.000 1.061 38 V CA -0.947 61.311 62.300 -0.069 0.000 0.913 38 V CB 2.014 33.783 31.823 -0.089 0.000 1.005 38 V HN 0.795 nan 8.190 nan 0.000 0.428 39 M N 3.938 123.194 119.600 -0.575 0.000 2.464 39 M HA 0.767 5.247 4.480 -0.000 0.000 0.308 39 M C -2.048 173.996 176.300 -0.427 0.000 1.127 39 M CA -0.562 54.321 55.300 -0.695 0.000 0.913 39 M CB 2.147 33.899 32.600 -1.414 0.000 1.689 39 M HN 0.437 nan 8.290 nan 0.000 0.445 40 V N 5.723 125.482 119.914 -0.259 0.000 2.444 40 V HA 0.470 4.590 4.120 -0.000 0.000 0.294 40 V C -0.671 175.374 176.094 -0.083 0.000 1.022 40 V CA -0.632 61.590 62.300 -0.131 0.000 0.850 40 V CB 1.766 33.574 31.823 -0.024 0.000 0.992 40 V HN 0.787 nan 8.190 nan 0.000 0.426 41 L N 4.239 125.394 121.223 -0.114 0.000 2.295 41 L HA 0.687 5.027 4.340 -0.000 0.000 0.285 41 L C -0.780 176.093 176.870 0.005 0.000 1.035 41 L CA -0.246 54.540 54.840 -0.090 0.000 0.806 41 L CB 1.773 43.759 42.059 -0.121 0.000 1.214 41 L HN 0.663 nan 8.230 nan 0.000 0.426 42 D N 2.339 122.786 120.400 0.079 0.000 2.970 42 D HA 0.504 5.144 4.640 -0.000 0.000 0.230 42 D C -1.689 174.704 176.300 0.155 0.000 1.276 42 D CA -0.226 53.855 54.000 0.134 0.000 0.910 42 D CB 1.743 42.674 40.800 0.220 0.000 1.590 42 D HN 0.238 nan 8.370 nan 0.000 0.551 43 F N 3.723 123.679 119.950 0.009 0.000 2.578 43 F HA 0.606 5.133 4.527 -0.000 0.000 0.311 43 F C -1.617 174.194 175.800 0.017 0.000 1.094 43 F CA -0.670 57.349 58.000 0.032 0.000 0.923 43 F CB 1.824 40.876 39.000 0.087 0.000 1.230 43 F HN 0.156 nan 8.300 nan 0.000 0.450 44 V N 4.384 123.782 119.914 -0.860 0.000 2.293 44 V HA 0.259 4.378 4.120 -0.000 0.000 0.275 44 V C -0.257 175.573 176.094 -0.441 0.000 1.021 44 V CA -0.582 61.390 62.300 -0.548 0.000 0.815 44 V CB 1.161 32.512 31.823 -0.787 0.000 1.025 44 V HN 0.835 nan 8.190 nan 0.000 0.448 45 T N 8.098 122.684 114.554 0.054 0.000 2.817 45 T HA 0.213 4.563 4.350 -0.000 0.000 0.295 45 T C -2.062 172.602 174.700 -0.059 0.000 0.958 45 T CA -0.475 61.736 62.100 0.185 0.000 1.157 45 T CB 0.683 69.699 68.868 0.246 0.000 0.898 45 T HN 0.440 nan 8.240 nan 0.000 0.536 46 P HA 0.104 nan 4.420 nan 0.000 0.269 46 P C 0.382 177.672 177.300 -0.016 0.000 1.217 46 P CA -0.383 62.656 63.100 -0.102 0.000 0.783 46 P CB 0.243 31.921 31.700 -0.037 0.000 0.898 47 T N -1.521 113.050 114.554 0.028 0.000 2.849 47 T HA 0.249 4.599 4.350 -0.000 0.000 0.284 47 T C -1.837 172.910 174.700 0.079 0.000 1.004 47 T CA -1.717 60.453 62.100 0.117 0.000 1.021 47 T CB 0.230 69.226 68.868 0.212 0.000 1.013 47 T HN 0.153 nan 8.240 nan 0.000 0.527 48 P HA -0.055 nan 4.420 nan 0.000 0.218 48 P C 0.824 178.147 177.300 0.037 0.000 1.146 48 P CA 0.909 64.008 63.100 -0.002 0.000 0.820 48 P CB -0.086 31.559 31.700 -0.091 0.000 0.778 49 L N -3.213 118.065 121.223 0.091 0.000 2.607 49 L HA 0.380 4.720 4.340 -0.000 0.000 0.228 49 L C 1.457 178.383 176.870 0.093 0.000 1.123 49 L CA 0.793 55.693 54.840 0.101 0.000 0.890 49 L CB -0.777 41.367 42.059 0.142 0.000 1.103 49 L HN 0.020 nan 8.230 nan 0.000 0.468 50 G N -0.671 108.175 108.800 0.076 0.000 2.132 50 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.228 50 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.228 50 G C 0.308 175.246 174.900 0.065 0.000 1.000 50 G CA 0.188 45.322 45.100 0.058 0.000 0.693 50 G HN 0.239 nan 8.290 nan 0.000 0.515 51 T N 0.487 115.102 114.554 0.101 0.000 2.856 51 T HA 0.640 4.989 4.350 -0.000 0.000 0.292 51 T C 0.539 175.255 174.700 0.027 0.000 0.980 51 T CA 0.477 62.669 62.100 0.153 0.000 1.091 51 T CB 1.388 70.427 68.868 0.284 0.000 0.936 51 T HN 0.955 nan 8.240 nan 0.000 0.503 52 R N 0.935 121.440 120.500 0.009 0.000 2.831 52 R HA 0.796 5.136 4.340 -0.000 0.000 0.266 52 R C -1.949 174.350 176.300 -0.001 0.000 1.051 52 R CA -1.180 54.712 56.100 -0.346 0.000 0.943 52 R CB 1.516 31.616 30.300 -0.334 0.000 1.228 52 R HN 0.716 nan 8.270 nan 0.000 0.467 53 W N -0.956 120.348 121.300 0.007 0.000 3.005 53 W HA 0.716 5.376 4.660 -0.000 0.000 0.343 53 W C -0.664 175.858 176.519 0.004 0.000 1.243 53 W CA -0.958 56.399 57.345 0.020 0.000 1.186 53 W CB 0.047 29.534 29.460 0.045 0.000 1.453 53 W HN 0.843 nan 8.180 nan 0.000 0.575 54 G N 0.610 109.601 108.800 0.319 0.000 2.525 54 G HA2 0.374 4.334 3.960 -0.000 0.000 0.276 54 G HA3 0.374 4.334 3.960 -0.000 0.000 0.276 54 G C -0.773 174.253 174.900 0.209 0.000 1.388 54 G CA -0.766 44.457 45.100 0.205 0.000 1.050 54 G HN 0.892 nan 8.290 nan 0.000 0.520 55 L N -0.272 121.016 121.223 0.109 0.000 2.483 55 L HA 0.463 4.803 4.340 -0.000 0.000 0.275 55 L C 1.367 178.251 176.870 0.024 0.000 1.220 55 L CA 2.194 57.041 54.840 0.012 0.000 0.833 55 L CB 1.016 42.950 42.059 -0.208 0.000 1.102 55 L HN 1.163 nan 8.230 nan 0.000 0.490 56 G N 0.926 109.675 108.800 -0.085 0.000 3.465 56 G HA2 0.372 4.332 3.960 -0.000 0.000 0.196 56 G HA3 0.372 4.332 3.960 -0.000 0.000 0.196 56 G C 0.606 175.430 174.900 -0.128 0.000 1.170 56 G CA 0.107 45.113 45.100 -0.157 0.000 0.887 56 G HN 1.960 nan 8.290 nan 0.000 0.444 57 G N -1.493 107.319 108.800 0.020 0.000 2.434 57 G HA2 0.310 4.269 3.960 -0.000 0.000 0.671 57 G HA3 0.310 4.269 3.960 -0.000 0.000 0.671 57 G C 0.553 175.489 174.900 0.061 0.000 1.280 57 G CA 0.559 45.686 45.100 0.045 0.000 0.975 57 G HN 1.059 nan 8.290 nan 0.000 0.510 58 T N -0.416 114.177 114.554 0.066 0.000 2.777 58 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 58 T C 2.472 177.146 174.700 -0.043 0.000 1.040 58 T CA 2.460 64.573 62.100 0.023 0.000 1.141 58 T CB -0.508 68.412 68.868 0.086 0.000 0.868 58 T HN 1.020 nan 8.240 nan 0.000 0.444 59 c N 1.312 119.905 118.600 -0.012 0.000 2.413 59 c HA -0.066 4.504 4.570 -0.000 0.000 0.276 59 c C 2.755 176.801 174.090 -0.073 0.000 1.236 59 c CA 0.695 57.007 56.329 -0.028 0.000 1.735 59 c CB -1.208 41.301 42.510 -0.000 0.000 2.031 59 c HN 0.383 nan 8.230 nan 0.000 0.474 60 V N 1.575 121.456 119.914 -0.054 0.000 2.427 60 V HA -0.152 3.968 4.120 -0.000 0.000 0.248 60 V C 2.135 178.158 176.094 -0.118 0.000 1.051 60 V CA 2.339 64.612 62.300 -0.045 0.000 1.048 60 V CB -0.650 31.191 31.823 0.031 0.000 0.666 60 V HN 0.618 nan 8.190 nan 0.000 0.456 61 N N -0.284 118.294 118.700 -0.204 0.000 2.463 61 N HA 0.055 4.795 4.740 -0.000 0.000 0.183 61 N C 1.099 176.371 175.510 -0.397 0.000 1.064 61 N CA 1.375 54.229 53.050 -0.327 0.000 0.879 61 N CB 1.530 39.687 38.487 -0.551 0.000 1.148 61 N HN 0.537 nan 8.380 nan 0.000 0.451 62 V N -3.419 116.266 119.914 -0.381 0.000 3.355 62 V HA 0.608 4.727 4.120 -0.000 0.000 0.330 62 V C 0.508 176.668 176.094 0.109 0.000 1.479 62 V CA -0.232 62.024 62.300 -0.073 0.000 1.150 62 V CB 0.515 32.045 31.823 -0.488 0.000 1.044 62 V HN 0.099 nan 8.190 nan 0.000 0.501 63 G N -0.050 108.671 108.800 -0.131 0.000 3.359 63 G HA2 0.239 4.199 3.960 -0.000 0.000 0.187 63 G HA3 0.239 4.199 3.960 -0.000 0.000 0.187 63 G C 0.986 175.785 174.900 -0.169 0.000 1.294 63 G CA 0.647 45.723 45.100 -0.040 0.000 0.769 63 G HN 0.263 nan 8.290 nan 0.000 0.733 64 c N 1.023 119.580 118.600 -0.073 0.000 2.328 64 c HA -0.130 4.440 4.570 -0.000 0.000 0.276 64 c C 2.747 176.701 174.090 -0.226 0.000 1.173 64 c CA 0.783 57.045 56.329 -0.112 0.000 1.774 64 c CB -1.491 40.981 42.510 -0.063 0.000 2.009 64 c HN 0.431 nan 8.230 nan 0.000 0.436 65 I N 2.775 123.229 120.570 -0.193 0.000 2.053 65 I HA -0.163 4.007 4.170 -0.000 0.000 0.236 65 I C 0.287 176.223 176.117 -0.302 0.000 1.038 65 I CA 2.147 63.331 61.300 -0.193 0.000 1.304 65 I CB -2.909 35.031 38.000 -0.100 0.000 1.023 65 I HN 0.287 nan 8.210 nan 0.000 0.395 66 P HA -0.190 nan 4.420 nan 0.000 0.218 66 P C 1.650 178.515 177.300 -0.725 0.000 1.149 66 P CA 1.582 64.330 63.100 -0.586 0.000 0.817 66 P CB -0.140 31.110 31.700 -0.750 0.000 0.785 67 K N 1.448 121.385 120.400 -0.772 0.000 1.991 67 K HA -0.199 4.120 4.320 -0.000 0.000 0.212 67 K C 2.185 178.596 176.600 -0.314 0.000 1.049 67 K CA 1.952 57.978 56.287 -0.436 0.000 0.932 67 K CB -0.705 31.725 32.500 -0.118 0.000 0.717 67 K HN -0.133 nan 8.250 nan 0.000 0.441 68 K N 1.090 121.296 120.400 -0.323 0.000 2.044 68 K HA -0.089 4.230 4.320 -0.000 0.000 0.210 68 K C 2.294 178.751 176.600 -0.239 0.000 1.049 68 K CA 1.592 57.683 56.287 -0.326 0.000 0.927 68 K CB -0.402 31.825 32.500 -0.455 0.000 0.713 68 K HN 0.266 nan 8.250 nan 0.000 0.443 69 L N -0.260 120.788 121.223 -0.291 0.000 2.127 69 L HA -0.186 4.153 4.340 -0.000 0.000 0.211 69 L C 2.404 179.102 176.870 -0.286 0.000 1.089 69 L CA 1.361 56.039 54.840 -0.270 0.000 0.757 69 L CB -0.357 41.542 42.059 -0.265 0.000 0.899 69 L HN 0.315 nan 8.230 nan 0.000 0.434 70 M N -1.888 117.470 119.600 -0.404 0.000 2.476 70 M HA -0.093 4.386 4.480 -0.000 0.000 0.262 70 M C 2.176 178.294 176.300 -0.303 0.000 1.111 70 M CA 0.648 55.651 55.300 -0.494 0.000 1.127 70 M CB -0.294 31.713 32.600 -0.987 0.000 1.376 70 M HN 0.176 nan 8.290 nan 0.000 0.465 71 H N 0.689 119.593 119.070 -0.277 0.000 2.353 71 H HA -0.177 4.379 4.556 -0.000 0.000 0.300 71 H C 2.016 177.322 175.328 -0.037 0.000 1.090 71 H CA 2.101 58.140 56.048 -0.016 0.000 1.327 71 H CB -0.059 29.719 29.762 0.027 0.000 1.383 71 H HN 0.239 nan 8.280 nan 0.000 0.508 72 Q N 0.593 120.259 119.800 -0.223 0.000 2.135 72 Q HA -0.048 4.292 4.340 -0.000 0.000 0.204 72 Q C 2.369 178.254 176.000 -0.192 0.000 0.981 72 Q CA 1.946 57.598 55.803 -0.251 0.000 0.856 72 Q CB -0.836 27.783 28.738 -0.198 0.000 0.902 72 Q HN 0.564 nan 8.270 nan 0.000 0.425 73 A N 0.021 122.740 122.820 -0.169 0.000 1.933 73 A HA 0.000 4.320 4.320 -0.000 0.000 0.218 73 A C 2.246 179.744 177.584 -0.143 0.000 1.175 73 A CA 1.813 53.765 52.037 -0.142 0.000 0.628 73 A CB -0.997 17.920 19.000 -0.139 0.000 0.814 73 A HN 0.507 nan 8.150 nan 0.000 0.444 74 A N -0.265 122.489 122.820 -0.109 0.000 1.897 74 A HA 0.060 4.379 4.320 -0.000 0.000 0.215 74 A C 2.144 179.679 177.584 -0.082 0.000 1.181 74 A CA 1.239 53.240 52.037 -0.059 0.000 0.620 74 A CB -0.570 18.473 19.000 0.072 0.000 0.821 74 A HN 0.443 nan 8.150 nan 0.000 0.443 75 L N -0.449 120.687 121.223 -0.145 0.000 2.013 75 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 75 L C 2.548 179.357 176.870 -0.102 0.000 1.073 75 L CA 1.349 56.105 54.840 -0.139 0.000 0.753 75 L CB -0.631 41.296 42.059 -0.220 0.000 0.890 75 L HN 0.384 nan 8.230 nan 0.000 0.432 76 L N -0.538 120.618 121.223 -0.112 0.000 2.187 76 L HA -0.168 4.172 4.340 -0.000 0.000 0.213 76 L C 2.595 179.421 176.870 -0.075 0.000 1.100 76 L CA 1.176 55.959 54.840 -0.094 0.000 0.765 76 L CB -1.027 40.975 42.059 -0.096 0.000 0.904 76 L HN 0.349 nan 8.230 nan 0.000 0.437 77 G N -0.843 107.915 108.800 -0.069 0.000 2.402 77 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.216 77 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.216 77 G C 1.478 176.357 174.900 -0.035 0.000 1.162 77 G CA 0.636 45.708 45.100 -0.047 0.000 0.777 77 G HN 0.379 nan 8.290 nan 0.000 0.539 78 Q N 0.209 119.984 119.800 -0.041 0.000 2.084 78 Q HA -0.006 4.333 4.340 -0.000 0.000 0.202 78 Q C 2.748 178.724 176.000 -0.040 0.000 0.978 78 Q CA 1.655 57.436 55.803 -0.037 0.000 0.844 78 Q CB -0.351 28.354 28.738 -0.056 0.000 0.898 78 Q HN 0.393 nan 8.270 nan 0.000 0.426 79 A N 0.474 123.260 122.820 -0.056 0.000 1.940 79 A HA -0.183 4.136 4.320 -0.000 0.000 0.219 79 A C 2.009 179.555 177.584 -0.063 0.000 1.176 79 A CA 1.310 53.306 52.037 -0.069 0.000 0.631 79 A CB -0.699 18.243 19.000 -0.096 0.000 0.814 79 A HN 0.466 nan 8.150 nan 0.000 0.446 80 L N -0.463 120.727 121.223 -0.054 0.000 2.046 80 L HA -0.251 4.089 4.340 -0.000 0.000 0.208 80 L C 2.968 179.842 176.870 0.006 0.000 1.077 80 L CA 1.577 56.394 54.840 -0.039 0.000 0.747 80 L CB -0.395 41.648 42.059 -0.028 0.000 0.896 80 L HN 0.461 nan 8.230 nan 0.000 0.432 81 Q N -0.508 119.301 119.800 0.015 0.000 2.046 81 Q HA -0.203 4.136 4.340 -0.000 0.000 0.200 81 Q C 1.823 177.869 176.000 0.077 0.000 0.975 81 Q CA 1.454 57.283 55.803 0.043 0.000 0.836 81 Q CB -0.439 28.319 28.738 0.034 0.000 0.896 81 Q HN 0.467 nan 8.270 nan 0.000 0.428 82 D N 1.184 121.623 120.400 0.065 0.000 2.133 82 D HA -0.154 4.486 4.640 -0.000 0.000 0.195 82 D C 2.103 178.527 176.300 0.208 0.000 0.997 82 D CA 1.908 55.981 54.000 0.122 0.000 0.840 82 D CB -0.294 40.538 40.800 0.054 0.000 0.947 82 D HN 0.301 nan 8.370 nan 0.000 0.452 83 S N 0.283 116.064 115.700 0.135 0.000 2.419 83 S HA -0.186 4.284 4.470 -0.000 0.000 0.235 83 S C 1.872 176.695 174.600 0.373 0.000 1.019 83 S CA 0.663 59.015 58.200 0.252 0.000 0.982 83 S CB -0.214 63.029 63.200 0.072 0.000 0.789 83 S HN 0.220 nan 8.310 nan 0.000 0.490 84 R N 1.558 122.206 120.500 0.246 0.000 2.082 84 R HA -0.050 4.290 4.340 -0.000 0.000 0.234 84 R C 2.124 178.538 176.300 0.190 0.000 1.136 84 R CA 1.739 57.962 56.100 0.205 0.000 0.935 84 R CB -0.785 29.596 30.300 0.135 0.000 0.842 84 R HN 0.431 nan 8.270 nan 0.000 0.430 85 N N 0.167 118.976 118.700 0.182 0.000 2.205 85 N HA -0.157 4.582 4.740 -0.000 0.000 0.186 85 N C 1.304 176.848 175.510 0.057 0.000 1.015 85 N CA 1.177 54.287 53.050 0.101 0.000 0.862 85 N CB -0.299 38.233 38.487 0.075 0.000 0.986 85 N HN 0.304 nan 8.380 nan 0.000 0.429 86 Y N -0.631 119.731 120.300 0.103 0.000 2.578 86 Y HA 0.118 4.667 4.550 -0.000 0.000 0.297 86 Y C 1.761 177.654 175.900 -0.011 0.000 1.176 86 Y CA 0.533 58.685 58.100 0.086 0.000 1.315 86 Y CB 0.089 38.663 38.460 0.190 0.000 1.031 86 Y HN 0.174 nan 8.280 nan 0.000 0.524 87 G N -1.865 106.998 108.800 0.104 0.000 2.201 87 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.212 87 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.212 87 G C -0.187 174.662 174.900 -0.085 0.000 0.994 87 G CA -0.538 44.527 45.100 -0.059 0.000 0.644 87 G HN 0.263 nan 8.290 nan 0.000 0.508 88 W N 2.118 123.467 121.300 0.080 0.000 2.266 88 W HA 0.575 5.235 4.660 -0.000 0.000 0.317 88 W C 0.863 177.408 176.519 0.043 0.000 1.310 88 W CA -0.498 56.879 57.345 0.053 0.000 1.207 88 W CB 0.666 30.155 29.460 0.048 0.000 1.199 88 W HN -0.059 nan 8.180 nan 0.000 0.544 89 K N 3.372 123.945 120.400 0.289 0.000 2.142 89 K HA 0.298 4.618 4.320 -0.000 0.000 0.250 89 K C -0.556 176.136 176.600 0.153 0.000 1.148 89 K CA -0.281 56.107 56.287 0.169 0.000 1.040 89 K CB 0.203 32.771 32.500 0.113 0.000 1.569 89 K HN 0.211 nan 8.250 nan 0.000 0.361 90 V N 2.133 122.131 119.914 0.140 0.000 2.769 90 V HA 0.122 4.242 4.120 -0.000 0.000 0.312 90 V C 0.073 176.210 176.094 0.072 0.000 1.058 90 V CA -1.038 61.319 62.300 0.095 0.000 0.952 90 V CB 2.036 33.909 31.823 0.084 0.000 1.019 90 V HN 0.583 nan 8.190 nan 0.000 0.445 91 E N 1.561 121.793 120.200 0.054 0.000 2.428 91 E HA 0.074 4.424 4.350 -0.000 0.000 0.257 91 E C 0.871 177.498 176.600 0.045 0.000 1.197 91 E CA -0.097 56.331 56.400 0.045 0.000 0.974 91 E CB 0.534 30.257 29.700 0.037 0.000 0.976 91 E HN 0.580 nan 8.360 nan 0.000 0.463 92 E N -0.196 120.028 120.200 0.040 0.000 2.158 92 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 92 E C -0.070 176.550 176.600 0.035 0.000 0.982 92 E CA 0.863 57.286 56.400 0.038 0.000 0.823 92 E CB 0.399 30.119 29.700 0.033 0.000 0.766 92 E HN 0.336 nan 8.360 nan 0.000 0.468 93 T N 0.194 114.768 114.554 0.033 0.000 2.879 93 T HA 0.369 4.718 4.350 -0.000 0.000 0.290 93 T C -1.385 173.337 174.700 0.036 0.000 0.993 93 T CA -0.328 61.792 62.100 0.034 0.000 0.975 93 T CB 1.676 70.563 68.868 0.032 0.000 0.981 93 T HN -0.177 nan 8.240 nan 0.000 0.439 94 V N 5.371 125.309 119.914 0.040 0.000 2.628 94 V HA 0.606 4.726 4.120 -0.000 0.000 0.306 94 V C -0.513 175.618 176.094 0.062 0.000 1.045 94 V CA -0.797 61.529 62.300 0.043 0.000 0.905 94 V CB 1.820 33.664 31.823 0.035 0.000 0.997 94 V HN 0.788 nan 8.190 nan 0.000 0.436 95 K N 4.457 124.896 120.400 0.066 0.000 2.118 95 K HA 0.407 4.727 4.320 -0.000 0.000 0.267 95 K C -0.729 175.952 176.600 0.135 0.000 0.991 95 K CA -0.582 55.760 56.287 0.091 0.000 0.916 95 K CB 0.938 33.478 32.500 0.067 0.000 1.041 95 K HN 0.771 nan 8.250 nan 0.000 0.455 96 H N 1.501 120.603 119.070 0.054 0.000 2.469 96 H HA 0.140 4.696 4.556 -0.000 0.000 0.342 96 H C -1.423 173.958 175.328 0.088 0.000 1.115 96 H CA -0.617 55.468 56.048 0.062 0.000 1.204 96 H CB 1.817 31.628 29.762 0.081 0.000 1.492 96 H HN 0.582 nan 8.280 nan 0.000 0.499 97 D N 5.064 125.182 120.400 -0.470 0.000 2.454 97 D HA -0.010 4.630 4.640 -0.000 0.000 0.225 97 D C 1.047 177.092 176.300 -0.426 0.000 1.081 97 D CA -0.610 53.212 54.000 -0.298 0.000 0.864 97 D CB 0.235 40.934 40.800 -0.169 0.000 1.040 97 D HN 0.571 nan 8.370 nan 0.000 0.517 98 W N 4.193 125.342 121.300 -0.252 0.000 2.318 98 W HA -0.233 4.427 4.660 -0.000 0.000 0.313 98 W C 0.506 176.981 176.519 -0.073 0.000 1.221 98 W CA 1.458 58.753 57.345 -0.084 0.000 1.266 98 W CB 0.040 29.529 29.460 0.049 0.000 1.150 98 W HN 0.444 nan 8.180 nan 0.000 0.496 99 D N -0.147 120.303 120.400 0.082 0.000 2.092 99 D HA -0.240 4.400 4.640 -0.000 0.000 0.193 99 D C 2.125 178.357 176.300 -0.113 0.000 0.994 99 D CA 2.055 56.067 54.000 0.020 0.000 0.828 99 D CB -0.731 40.123 40.800 0.089 0.000 0.963 99 D HN 0.183 nan 8.370 nan 0.000 0.450 100 R N 0.048 120.470 120.500 -0.130 0.000 2.105 100 R HA -0.114 4.226 4.340 -0.000 0.000 0.239 100 R C 2.301 178.494 176.300 -0.178 0.000 1.135 100 R CA 1.135 57.154 56.100 -0.135 0.000 0.967 100 R CB -0.231 29.992 30.300 -0.128 0.000 0.861 100 R HN 0.187 nan 8.270 nan 0.000 0.442 101 M N 0.111 119.551 119.600 -0.268 0.000 2.066 101 M HA -0.181 4.299 4.480 -0.000 0.000 0.259 101 M C 1.755 177.880 176.300 -0.292 0.000 1.074 101 M CA 1.762 56.902 55.300 -0.268 0.000 1.114 101 M CB -0.090 32.335 32.600 -0.292 0.000 1.306 101 M HN 0.152 nan 8.290 nan 0.000 0.411 102 I N 0.390 120.704 120.570 -0.427 0.000 2.194 102 I HA -0.311 3.859 4.170 -0.000 0.000 0.246 102 I C 2.460 178.481 176.117 -0.159 0.000 1.093 102 I CA 1.587 62.693 61.300 -0.323 0.000 1.355 102 I CB -1.832 35.980 38.000 -0.313 0.000 1.046 102 I HN 0.518 nan 8.210 nan 0.000 0.413 103 E N 1.414 121.537 120.200 -0.127 0.000 2.070 103 E HA -0.230 4.120 4.350 -0.000 0.000 0.197 103 E C 2.222 178.782 176.600 -0.066 0.000 1.004 103 E CA 1.917 58.276 56.400 -0.069 0.000 0.805 103 E CB 0.037 29.703 29.700 -0.058 0.000 0.744 103 E HN 0.473 nan 8.360 nan 0.000 0.451 104 A N 0.403 123.169 122.820 -0.089 0.000 1.898 104 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 104 A C 2.589 180.137 177.584 -0.060 0.000 1.181 104 A CA 1.620 53.613 52.037 -0.073 0.000 0.620 104 A CB -0.613 18.333 19.000 -0.090 0.000 0.819 104 A HN 0.187 nan 8.150 nan 0.000 0.442 105 V N -0.180 119.676 119.914 -0.096 0.000 2.358 105 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 105 V C 2.669 178.744 176.094 -0.033 0.000 1.047 105 V CA 1.884 64.135 62.300 -0.082 0.000 1.035 105 V CB -0.852 30.880 31.823 -0.152 0.000 0.658 105 V HN 0.480 nan 8.190 nan 0.000 0.452 106 Q N 0.177 119.954 119.800 -0.038 0.000 2.084 106 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 106 Q C 2.236 178.234 176.000 -0.004 0.000 0.978 106 Q CA 1.331 57.129 55.803 -0.009 0.000 0.844 106 Q CB -0.752 27.988 28.738 0.004 0.000 0.898 106 Q HN 0.663 nan 8.270 nan 0.000 0.426 107 N N -0.151 118.546 118.700 -0.006 0.000 2.149 107 N HA -0.200 4.540 4.740 -0.000 0.000 0.188 107 N C 1.736 177.252 175.510 0.010 0.000 1.019 107 N CA 1.205 54.254 53.050 -0.001 0.000 0.857 107 N CB -0.041 38.443 38.487 -0.006 0.000 0.997 107 N HN 0.334 nan 8.380 nan 0.000 0.426 108 H N 1.254 120.293 119.070 -0.052 0.000 2.357 108 H HA 0.083 4.638 4.556 -0.000 0.000 0.301 108 H C 2.177 177.484 175.328 -0.035 0.000 1.082 108 H CA 1.274 57.291 56.048 -0.053 0.000 1.342 108 H CB -0.300 29.413 29.762 -0.081 0.000 1.389 108 H HN 0.142 nan 8.280 nan 0.000 0.511 109 I N 0.062 120.536 120.570 -0.160 0.000 2.151 109 I HA -0.270 3.900 4.170 -0.000 0.000 0.243 109 I C 2.765 178.819 176.117 -0.105 0.000 1.080 109 I CA 1.412 62.618 61.300 -0.157 0.000 1.339 109 I CB -0.884 37.082 38.000 -0.057 0.000 1.039 109 I HN 0.487 nan 8.210 nan 0.000 0.409 110 G N 0.275 109.049 108.800 -0.043 0.000 2.476 110 G HA2 -0.380 3.579 3.960 -0.000 0.000 0.218 110 G HA3 -0.380 3.579 3.960 -0.000 0.000 0.218 110 G C 1.790 176.709 174.900 0.030 0.000 1.164 110 G CA 1.349 46.459 45.100 0.016 0.000 0.768 110 G HN 0.472 nan 8.290 nan 0.000 0.560 111 S N 0.294 115.966 115.700 -0.046 0.000 2.370 111 S HA -0.058 4.412 4.470 -0.000 0.000 0.226 111 S C 2.459 177.021 174.600 -0.064 0.000 1.033 111 S CA 1.403 59.589 58.200 -0.023 0.000 1.011 111 S CB -0.312 62.843 63.200 -0.075 0.000 0.852 111 S HN 0.344 nan 8.310 nan 0.000 0.457 112 L N 1.231 122.334 121.223 -0.200 0.000 2.046 112 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 112 L C 2.719 179.559 176.870 -0.050 0.000 1.077 112 L CA 1.318 56.038 54.840 -0.200 0.000 0.747 112 L CB -1.076 40.853 42.059 -0.215 0.000 0.896 112 L HN 0.334 nan 8.230 nan 0.000 0.432 113 N N -0.049 118.679 118.700 0.047 0.000 2.007 113 N HA -0.278 4.462 4.740 -0.000 0.000 0.197 113 N C 1.565 177.118 175.510 0.072 0.000 1.050 113 N CA 1.660 54.778 53.050 0.114 0.000 0.856 113 N CB -0.612 37.965 38.487 0.151 0.000 1.050 113 N HN 0.454 nan 8.380 nan 0.000 0.423 114 W N 1.882 123.153 121.300 -0.048 0.000 2.321 114 W HA -0.175 4.485 4.660 -0.000 0.000 0.306 114 W C 2.189 178.657 176.519 -0.085 0.000 1.217 114 W CA 1.673 58.985 57.345 -0.055 0.000 1.257 114 W CB -0.612 28.815 29.460 -0.054 0.000 1.145 114 W HN 0.128 nan 8.180 nan 0.000 0.509 115 G N -0.694 107.974 108.800 -0.220 0.000 2.446 115 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.217 115 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.217 115 G C 1.140 175.802 174.900 -0.398 0.000 1.168 115 G CA 1.172 46.072 45.100 -0.333 0.000 0.771 115 G HN 0.250 nan 8.290 nan 0.000 0.551 116 Y N 1.372 121.526 120.300 -0.245 0.000 2.181 116 Y HA -0.071 4.479 4.550 -0.000 0.000 0.288 116 Y C 3.087 178.768 175.900 -0.364 0.000 1.146 116 Y CA 1.278 59.223 58.100 -0.259 0.000 1.164 116 Y CB -0.256 38.070 38.460 -0.223 0.000 0.982 116 Y HN 0.089 nan 8.280 nan 0.000 0.515 117 R N -0.581 119.715 120.500 -0.340 0.000 2.080 117 R HA -0.169 4.171 4.340 -0.000 0.000 0.236 117 R C 2.185 178.232 176.300 -0.421 0.000 1.137 117 R CA 1.840 57.652 56.100 -0.479 0.000 0.943 117 R CB -1.318 28.579 30.300 -0.670 0.000 0.846 117 R HN 0.236 nan 8.270 nan 0.000 0.431 118 V N 1.600 121.198 119.914 -0.527 0.000 2.287 118 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 118 V C 2.671 178.635 176.094 -0.217 0.000 1.053 118 V CA 2.014 64.092 62.300 -0.370 0.000 1.027 118 V CB -0.948 30.657 31.823 -0.364 0.000 0.646 118 V HN 0.425 nan 8.190 nan 0.000 0.447 119 A N -0.309 122.393 122.820 -0.197 0.000 1.917 119 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 119 A C 2.237 179.770 177.584 -0.085 0.000 1.182 119 A CA 2.114 54.080 52.037 -0.118 0.000 0.633 119 A CB -0.572 18.380 19.000 -0.079 0.000 0.819 119 A HN 0.516 nan 8.150 nan 0.000 0.448 120 L N -1.506 119.659 121.223 -0.097 0.000 2.027 120 L HA -0.163 4.177 4.340 -0.000 0.000 0.206 120 L C 2.798 179.631 176.870 -0.060 0.000 1.074 120 L CA 1.723 56.519 54.840 -0.074 0.000 0.745 120 L CB -0.479 41.521 42.059 -0.098 0.000 0.898 120 L HN 0.444 nan 8.230 nan 0.000 0.433 121 R N 0.457 120.909 120.500 -0.080 0.000 2.094 121 R HA -0.214 4.126 4.340 -0.000 0.000 0.239 121 R C 2.196 178.469 176.300 -0.045 0.000 1.137 121 R CA 1.937 58.005 56.100 -0.053 0.000 0.943 121 R CB -0.153 30.101 30.300 -0.077 0.000 0.850 121 R HN 0.383 nan 8.270 nan 0.000 0.433 122 E N -0.049 120.114 120.200 -0.061 0.000 2.118 122 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 122 E C 1.589 178.165 176.600 -0.041 0.000 0.992 122 E CA 1.278 57.648 56.400 -0.050 0.000 0.804 122 E CB 0.043 29.706 29.700 -0.061 0.000 0.741 122 E HN 0.149 nan 8.360 nan 0.000 0.458 123 K N 0.529 120.903 120.400 -0.042 0.000 2.505 123 K HA 0.063 4.383 4.320 -0.000 0.000 0.192 123 K C -0.275 176.309 176.600 -0.026 0.000 1.025 123 K CA 0.117 56.383 56.287 -0.036 0.000 1.086 123 K CB 0.166 32.645 32.500 -0.035 0.000 0.840 123 K HN -0.012 nan 8.250 nan 0.000 0.514 124 K N -0.155 120.233 120.400 -0.019 0.000 3.150 124 K HA -0.157 4.163 4.320 -0.000 0.000 0.267 124 K C -1.120 175.483 176.600 0.004 0.000 1.028 124 K CA 0.203 56.488 56.287 -0.005 0.000 0.753 124 K CB -1.698 30.799 32.500 -0.005 0.000 1.288 124 K HN -0.060 nan 8.250 nan 0.000 0.473 125 V N 1.414 121.327 119.914 -0.001 0.000 2.495 125 V HA 0.273 4.393 4.120 -0.000 0.000 0.298 125 V C 0.425 176.526 176.094 0.012 0.000 1.031 125 V CA -0.946 61.351 62.300 -0.006 0.000 0.871 125 V CB 2.027 33.834 31.823 -0.027 0.000 0.988 125 V HN 0.081 nan 8.190 nan 0.000 0.432 126 V N 5.320 125.237 119.914 0.005 0.000 2.488 126 V HA 0.199 4.319 4.120 -0.000 0.000 0.277 126 V C -0.546 175.548 176.094 -0.000 0.000 1.046 126 V CA -0.345 61.963 62.300 0.013 0.000 0.986 126 V CB 0.608 32.449 31.823 0.029 0.000 0.989 126 V HN 0.768 nan 8.190 nan 0.000 0.475 127 Y N 4.446 124.696 120.300 -0.084 0.000 2.328 127 Y HA 0.548 5.098 4.550 -0.000 0.000 0.333 127 Y C -0.134 175.732 175.900 -0.058 0.000 0.958 127 Y CA -0.892 57.155 58.100 -0.089 0.000 1.167 127 Y CB 1.201 39.618 38.460 -0.072 0.000 1.151 127 Y HN 0.632 nan 8.280 nan 0.000 0.470 128 E N 5.468 125.333 120.200 -0.558 0.000 2.145 128 E HA 0.118 4.468 4.350 -0.000 0.000 0.270 128 E C -0.947 175.252 176.600 -0.668 0.000 0.906 128 E CA -0.564 55.526 56.400 -0.517 0.000 0.761 128 E CB 1.448 30.997 29.700 -0.251 0.000 1.116 128 E HN 0.817 nan 8.360 nan 0.000 0.408 129 N N 2.277 120.594 118.700 -0.639 0.000 2.968 129 N HA 0.282 5.021 4.740 -0.000 0.000 0.271 129 N C -1.246 174.306 175.510 0.070 0.000 1.174 129 N CA -0.037 52.828 53.050 -0.308 0.000 1.096 129 N CB 0.151 38.531 38.487 -0.178 0.000 1.403 129 N HN 0.405 nan 8.380 nan 0.000 0.522 130 A N 2.569 125.476 122.820 0.145 0.000 2.574 130 A HA 0.235 4.554 4.320 -0.000 0.000 0.297 130 A C -1.742 175.975 177.584 0.222 0.000 1.062 130 A CA -0.633 51.548 52.037 0.240 0.000 0.686 130 A CB 0.785 19.841 19.000 0.094 0.000 1.285 130 A HN 0.589 nan 8.150 nan 0.000 0.403 131 Y N 1.268 121.525 120.300 -0.073 0.000 2.377 131 Y HA 0.459 5.009 4.550 -0.000 0.000 0.330 131 Y C 0.867 176.737 175.900 -0.051 0.000 1.108 131 Y CA 1.125 59.166 58.100 -0.098 0.000 1.308 131 Y CB 0.890 39.093 38.460 -0.428 0.000 1.216 131 Y HN 0.848 nan 8.280 nan 0.000 0.518 132 G N 4.226 112.909 108.800 -0.196 0.000 2.441 132 G HA2 0.615 4.575 3.960 -0.000 0.000 0.334 132 G HA3 0.615 4.575 3.960 -0.000 0.000 0.334 132 G C -1.757 173.149 174.900 0.011 0.000 1.161 132 G CA -0.772 44.294 45.100 -0.057 0.000 0.935 132 G HN 0.651 nan 8.290 nan 0.000 0.488 133 Q N -0.197 119.631 119.800 0.047 0.000 2.378 133 Q HA 0.225 4.565 4.340 -0.000 0.000 0.262 133 Q C -1.463 174.580 176.000 0.071 0.000 0.978 133 Q CA -0.602 55.276 55.803 0.126 0.000 0.918 133 Q CB 2.282 31.134 28.738 0.191 0.000 1.415 133 Q HN 0.508 nan 8.270 nan 0.000 0.409 134 F N 2.407 122.372 119.950 0.025 0.000 2.450 134 F HA 0.190 4.717 4.527 -0.000 0.000 0.339 134 F C 1.566 177.368 175.800 0.003 0.000 1.146 134 F CA 0.239 58.221 58.000 -0.029 0.000 1.267 134 F CB 0.594 39.527 39.000 -0.112 0.000 1.178 134 F HN 0.585 nan 8.300 nan 0.000 0.585 135 I N -1.522 119.170 120.570 0.202 0.000 4.730 135 I HA 0.621 4.791 4.170 -0.000 0.000 0.332 135 I C 0.485 176.666 176.117 0.108 0.000 1.299 135 I CA -0.004 61.371 61.300 0.126 0.000 1.294 135 I CB 0.696 38.754 38.000 0.096 0.000 1.317 135 I HN 0.550 nan 8.210 nan 0.000 0.457 136 G N 1.580 110.458 108.800 0.131 0.000 2.466 136 G HA2 0.396 4.356 3.960 -0.000 0.000 0.291 136 G HA3 0.396 4.356 3.960 -0.000 0.000 0.291 136 G C -3.271 171.706 174.900 0.128 0.000 1.460 136 G CA -0.880 44.282 45.100 0.104 0.000 0.791 136 G HN -0.216 nan 8.290 nan 0.000 0.505 137 P HA -0.048 nan 4.420 nan 0.000 0.265 137 P C 0.252 177.672 177.300 0.200 0.000 1.167 137 P CA 0.806 63.998 63.100 0.154 0.000 0.760 137 P CB -0.020 31.786 31.700 0.176 0.000 0.783 138 H N -0.632 118.445 119.070 0.012 0.000 2.806 138 H HA -0.220 4.335 4.556 -0.000 0.000 0.303 138 H C 0.162 175.611 175.328 0.202 0.000 1.089 138 H CA 1.187 57.240 56.048 0.010 0.000 1.165 138 H CB -0.848 28.846 29.762 -0.113 0.000 1.350 138 H HN 0.515 nan 8.280 nan 0.000 0.373 139 R N -0.111 120.525 120.500 0.227 0.000 2.673 139 R HA 0.703 5.042 4.340 -0.000 0.000 0.281 139 R C -0.544 175.857 176.300 0.168 0.000 0.991 139 R CA -0.692 55.565 56.100 0.262 0.000 0.896 139 R CB 2.784 33.213 30.300 0.215 0.000 1.201 139 R HN 0.144 nan 8.270 nan 0.000 0.457 140 I N 0.957 121.657 120.570 0.218 0.000 2.865 140 I HA 0.439 4.609 4.170 -0.000 0.000 0.302 140 I C -1.417 174.793 176.117 0.154 0.000 1.140 140 I CA -0.800 60.561 61.300 0.102 0.000 1.021 140 I CB 2.136 40.170 38.000 0.057 0.000 1.233 140 I HN 0.529 nan 8.210 nan 0.000 0.427 141 K N 5.770 126.231 120.400 0.102 0.000 2.164 141 K HA 0.838 5.157 4.320 -0.000 0.000 0.258 141 K C -1.525 175.151 176.600 0.126 0.000 0.951 141 K CA -0.556 55.790 56.287 0.100 0.000 0.844 141 K CB 1.787 34.327 32.500 0.066 0.000 1.099 141 K HN 0.674 nan 8.250 nan 0.000 0.435 142 A N 2.951 125.863 122.820 0.154 0.000 2.311 142 A HA 0.416 4.736 4.320 -0.000 0.000 0.306 142 A C -1.036 176.608 177.584 0.100 0.000 1.189 142 A CA -0.705 51.431 52.037 0.164 0.000 0.791 142 A CB 1.330 20.508 19.000 0.297 0.000 1.172 142 A HN 0.696 nan 8.150 nan 0.000 0.481 143 T N 3.902 118.489 114.554 0.055 0.000 2.758 143 T HA 0.298 4.647 4.350 -0.000 0.000 0.285 143 T C 0.721 175.391 174.700 -0.051 0.000 0.981 143 T CA -0.738 61.351 62.100 -0.017 0.000 0.965 143 T CB 0.548 69.366 68.868 -0.083 0.000 0.927 143 T HN 0.868 nan 8.240 nan 0.000 0.448 144 N N 3.203 121.901 118.700 -0.005 0.000 2.332 144 N HA 0.072 4.812 4.740 -0.000 0.000 0.282 144 N C 0.963 176.492 175.510 0.031 0.000 1.288 144 N CA -0.384 52.694 53.050 0.047 0.000 0.949 144 N CB 0.525 39.053 38.487 0.068 0.000 1.108 144 N HN 0.615 nan 8.380 nan 0.000 0.542 145 N N -0.620 118.183 118.700 0.171 0.000 2.188 145 N HA -0.085 4.655 4.740 -0.000 0.000 0.184 145 N C 1.020 176.589 175.510 0.097 0.000 1.018 145 N CA 0.912 54.100 53.050 0.230 0.000 0.858 145 N CB 0.096 38.723 38.487 0.233 0.000 0.989 145 N HN 0.488 nan 8.380 nan 0.000 0.426 146 K N -1.114 119.323 120.400 0.061 0.000 2.361 146 K HA 0.192 4.512 4.320 -0.000 0.000 0.196 146 K C 1.015 177.619 176.600 0.006 0.000 1.039 146 K CA 0.624 56.931 56.287 0.033 0.000 1.001 146 K CB 0.740 33.259 32.500 0.033 0.000 0.795 146 K HN 0.324 nan 8.250 nan 0.000 0.495 147 G N 0.893 109.687 108.800 -0.010 0.000 2.428 147 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.199 147 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.199 147 G C -0.527 174.359 174.900 -0.023 0.000 1.005 147 G CA -0.647 44.434 45.100 -0.032 0.000 0.671 147 G HN 0.144 nan 8.290 nan 0.000 0.485 148 K N 2.053 122.450 120.400 -0.005 0.000 2.511 148 K HA 0.334 4.654 4.320 -0.000 0.000 0.280 148 K C 0.321 176.920 176.600 -0.002 0.000 1.008 148 K CA 0.980 57.267 56.287 -0.001 0.000 1.050 148 K CB 0.266 32.773 32.500 0.011 0.000 0.889 148 K HN 0.698 nan 8.250 nan 0.000 0.484 149 E N 2.654 122.849 120.200 -0.009 0.000 2.320 149 E HA 0.535 4.885 4.350 -0.000 0.000 0.264 149 E C -0.818 175.763 176.600 -0.032 0.000 0.923 149 E CA -1.221 55.174 56.400 -0.009 0.000 0.796 149 E CB 2.154 31.846 29.700 -0.014 0.000 1.262 149 E HN 0.290 nan 8.360 nan 0.000 0.428 150 K N 0.575 120.941 120.400 -0.057 0.000 2.556 150 K HA 0.507 4.827 4.320 -0.000 0.000 0.274 150 K C -1.293 175.127 176.600 -0.300 0.000 0.966 150 K CA -0.679 55.485 56.287 -0.204 0.000 0.865 150 K CB 2.192 34.528 32.500 -0.274 0.000 1.444 150 K HN 0.424 nan 8.250 nan 0.000 0.433 151 I N 2.258 122.576 120.570 -0.421 0.000 2.465 151 I HA 0.406 4.576 4.170 -0.000 0.000 0.291 151 I C -1.326 174.552 176.117 -0.399 0.000 1.014 151 I CA -0.788 60.353 61.300 -0.265 0.000 1.093 151 I CB 1.147 39.098 38.000 -0.083 0.000 1.267 151 I HN 0.478 nan 8.210 nan 0.000 0.431 152 Y N 3.048 123.441 120.300 0.156 0.000 2.536 152 Y HA 0.565 5.115 4.550 -0.000 0.000 0.347 152 Y C 0.318 176.389 175.900 0.285 0.000 1.000 152 Y CA -0.944 57.284 58.100 0.214 0.000 1.051 152 Y CB 1.939 40.552 38.460 0.255 0.000 1.259 152 Y HN 0.510 nan 8.280 nan 0.000 0.468 153 S N 0.779 116.768 115.700 0.481 0.000 2.664 153 S HA 0.997 5.467 4.470 -0.000 0.000 0.304 153 S C -0.737 174.138 174.600 0.457 0.000 1.099 153 S CA -0.422 58.080 58.200 0.503 0.000 1.003 153 S CB 2.026 65.541 63.200 0.526 0.000 1.092 153 S HN 1.241 nan 8.310 nan 0.000 0.525 154 A N 0.086 123.099 122.820 0.321 0.000 2.599 154 A HA 0.569 4.888 4.320 -0.000 0.000 0.294 154 A C 0.136 177.527 177.584 -0.322 0.000 1.055 154 A CA -0.408 51.666 52.037 0.061 0.000 0.683 154 A CB 0.802 19.693 19.000 -0.182 0.000 1.278 154 A HN 0.951 nan 8.150 nan 0.000 0.412 155 E N 0.186 120.217 120.200 -0.282 0.000 2.347 155 E HA 0.015 4.365 4.350 -0.000 0.000 0.196 155 E C 0.399 177.118 176.600 0.199 0.000 1.008 155 E CA 0.835 57.092 56.400 -0.238 0.000 0.852 155 E CB 0.121 29.893 29.700 0.120 0.000 0.783 155 E HN 0.504 nan 8.360 nan 0.000 0.505 156 R N -1.080 119.600 120.500 0.299 0.000 2.710 156 R HA 0.369 4.709 4.340 -0.000 0.000 0.270 156 R C -1.621 174.974 176.300 0.492 0.000 1.021 156 R CA -0.691 55.705 56.100 0.493 0.000 0.889 156 R CB 1.186 31.715 30.300 0.381 0.000 1.243 156 R HN -0.103 nan 8.270 nan 0.000 0.464 157 F N 0.978 121.093 119.950 0.276 0.000 2.576 157 F HA 0.521 5.047 4.527 -0.000 0.000 0.313 157 F C -0.732 175.189 175.800 0.202 0.000 1.078 157 F CA -0.884 57.246 58.000 0.217 0.000 0.921 157 F CB 1.867 41.056 39.000 0.316 0.000 1.232 157 F HN 0.197 nan 8.300 nan 0.000 0.459 158 L N 4.657 126.052 121.223 0.287 0.000 2.349 158 L HA 0.625 4.965 4.340 -0.000 0.000 0.278 158 L C -1.038 175.949 176.870 0.195 0.000 0.996 158 L CA -0.366 54.606 54.840 0.220 0.000 0.825 158 L CB 1.071 43.199 42.059 0.114 0.000 1.243 158 L HN 0.423 nan 8.230 nan 0.000 0.412 159 I N 5.307 125.997 120.570 0.200 0.000 2.297 159 I HA 0.547 4.717 4.170 -0.000 0.000 0.291 159 I C 0.199 176.380 176.117 0.107 0.000 1.033 159 I CA -0.397 61.001 61.300 0.164 0.000 1.253 159 I CB 1.158 39.259 38.000 0.169 0.000 1.396 159 I HN 0.779 nan 8.210 nan 0.000 0.476 160 A N 3.878 126.744 122.820 0.075 0.000 3.317 160 A HA 0.405 4.724 4.320 -0.000 0.000 0.307 160 A C 0.700 178.311 177.584 0.045 0.000 1.003 160 A CA -0.439 51.632 52.037 0.057 0.000 0.882 160 A CB -0.101 18.923 19.000 0.040 0.000 1.136 160 A HN 0.756 nan 8.150 nan 0.000 0.488 161 T N -2.467 112.119 114.554 0.054 0.000 3.040 161 T HA 0.467 4.817 4.350 -0.000 0.000 0.250 161 T C 1.330 176.073 174.700 0.073 0.000 1.058 161 T CA 0.834 62.963 62.100 0.048 0.000 0.988 161 T CB -0.067 68.823 68.868 0.037 0.000 0.993 161 T HN 2.049 nan 8.240 nan 0.000 0.519 162 G N 1.735 110.582 108.800 0.078 0.000 2.601 162 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.261 162 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.261 162 G C -0.587 174.376 174.900 0.104 0.000 1.289 162 G CA 0.169 45.325 45.100 0.093 0.000 0.920 162 G HN 0.659 nan 8.290 nan 0.000 0.571 163 E N -0.713 119.559 120.200 0.120 0.000 2.447 163 E HA 0.819 5.169 4.350 -0.000 0.000 0.258 163 E C -0.350 176.342 176.600 0.153 0.000 0.916 163 E CA -1.178 55.296 56.400 0.123 0.000 0.846 163 E CB 1.540 31.302 29.700 0.104 0.000 1.517 163 E HN 0.487 nan 8.360 nan 0.000 0.418 164 R N 0.163 120.753 120.500 0.151 0.000 2.680 164 R HA 0.376 4.716 4.340 -0.000 0.000 0.269 164 R C -2.882 173.509 176.300 0.153 0.000 1.026 164 R CA -2.399 53.811 56.100 0.182 0.000 0.889 164 R CB 0.919 31.345 30.300 0.209 0.000 1.241 164 R HN 0.319 nan 8.270 nan 0.000 0.463 165 P HA 0.034 nan 4.420 nan 0.000 0.261 165 P C -0.188 177.183 177.300 0.118 0.000 1.183 165 P CA 0.196 63.350 63.100 0.089 0.000 0.761 165 P CB 0.459 32.193 31.700 0.056 0.000 0.785 166 R N 3.352 123.891 120.500 0.065 0.000 2.531 166 R HA 0.311 4.651 4.340 -0.000 0.000 0.273 166 R C -0.584 175.755 176.300 0.065 0.000 1.070 166 R CA -0.232 55.933 56.100 0.108 0.000 1.112 166 R CB 0.304 30.646 30.300 0.070 0.000 1.049 166 R HN 0.359 nan 8.270 nan 0.000 0.508 167 Y N 1.641 121.963 120.300 0.036 0.000 2.631 167 Y HA 0.372 4.922 4.550 -0.000 0.000 0.328 167 Y C 0.009 175.926 175.900 0.028 0.000 1.118 167 Y CA -0.670 57.449 58.100 0.032 0.000 1.206 167 Y CB 1.387 39.867 38.460 0.033 0.000 1.337 167 Y HN 0.374 nan 8.280 nan 0.000 0.515 168 L N 0.892 122.232 121.223 0.196 0.000 2.289 168 L HA 0.438 4.778 4.340 -0.000 0.000 0.285 168 L C 0.728 177.681 176.870 0.137 0.000 1.049 168 L CA -0.710 54.203 54.840 0.122 0.000 0.804 168 L CB 1.132 43.245 42.059 0.090 0.000 1.195 168 L HN 0.856 nan 8.230 nan 0.000 0.428 169 G N 5.447 114.303 108.800 0.092 0.000 2.924 169 G HA2 0.397 4.356 3.960 -0.000 0.000 0.273 169 G HA3 0.397 4.356 3.960 -0.000 0.000 0.273 169 G C -0.173 174.764 174.900 0.062 0.000 0.734 169 G CA 0.014 45.156 45.100 0.070 0.000 2.065 169 G HN 0.574 nan 8.290 nan 0.000 0.580 170 I N -1.977 118.639 120.570 0.076 0.000 2.994 170 I HA 0.613 4.783 4.170 -0.000 0.000 0.306 170 I C -2.892 173.261 176.117 0.060 0.000 1.195 170 I CA -3.383 57.956 61.300 0.065 0.000 1.001 170 I CB 2.458 40.502 38.000 0.074 0.000 1.244 170 I HN -0.116 nan 8.210 nan 0.000 0.437 171 P HA 0.139 nan 4.420 nan 0.000 0.262 171 P C 0.782 178.117 177.300 0.059 0.000 1.182 171 P CA 1.457 64.579 63.100 0.037 0.000 0.761 171 P CB 0.485 32.211 31.700 0.042 0.000 0.795 172 G N 3.112 111.918 108.800 0.009 0.000 2.205 172 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.261 172 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.261 172 G C 0.901 175.850 174.900 0.083 0.000 0.980 172 G CA 0.620 45.728 45.100 0.014 0.000 0.632 172 G HN 0.578 nan 8.290 nan 0.000 0.533 173 D N 0.966 121.440 120.400 0.123 0.000 2.087 173 D HA -0.046 4.594 4.640 -0.000 0.000 0.201 173 D C 2.017 178.502 176.300 0.307 0.000 0.980 173 D CA 1.426 55.579 54.000 0.255 0.000 0.849 173 D CB -0.764 40.244 40.800 0.348 0.000 1.001 173 D HN 0.417 nan 8.370 nan 0.000 0.452 174 K N 0.499 120.926 120.400 0.044 0.000 2.281 174 K HA -0.112 4.208 4.320 -0.000 0.000 0.203 174 K C 2.010 178.570 176.600 -0.066 0.000 1.046 174 K CA 1.337 57.474 56.287 -0.250 0.000 0.938 174 K CB 0.030 32.225 32.500 -0.507 0.000 0.737 174 K HN 0.440 nan 8.250 nan 0.000 0.458 175 E N -0.318 119.828 120.200 -0.091 0.000 2.102 175 E HA -0.117 4.232 4.350 -0.000 0.000 0.190 175 E C 1.140 177.732 176.600 -0.013 0.000 0.971 175 E CA 1.141 57.431 56.400 -0.183 0.000 0.821 175 E CB -0.205 29.197 29.700 -0.496 0.000 0.777 175 E HN 0.379 nan 8.360 nan 0.000 0.460 176 Y N 0.435 120.791 120.300 0.094 0.000 2.430 176 Y HA 0.281 4.831 4.550 -0.000 0.000 0.248 176 Y C 0.885 176.851 175.900 0.109 0.000 1.108 176 Y CA -1.454 56.700 58.100 0.091 0.000 1.264 176 Y CB 0.240 38.742 38.460 0.070 0.000 1.172 176 Y HN -0.024 nan 8.280 nan 0.000 0.520 177 C N 2.169 121.648 119.300 0.298 0.000 2.364 177 C HA 0.679 5.139 4.460 -0.000 0.000 0.356 177 C C 0.672 175.780 174.990 0.197 0.000 1.201 177 C CA -1.225 57.919 59.018 0.209 0.000 2.227 177 C CB 0.141 27.987 27.740 0.177 0.000 2.387 177 C HN 0.358 nan 8.230 nan 0.000 0.546 178 I N 0.897 121.523 120.570 0.094 0.000 2.982 178 I HA 0.894 5.064 4.170 -0.000 0.000 0.312 178 I C 0.011 176.107 176.117 -0.035 0.000 1.041 178 I CA -0.045 61.295 61.300 0.068 0.000 1.053 178 I CB 1.972 39.993 38.000 0.036 0.000 1.248 178 I HN 0.696 nan 8.210 nan 0.000 0.471 179 S N 0.688 116.364 115.700 -0.040 0.000 2.806 179 S HA 0.340 4.810 4.470 -0.000 0.000 0.306 179 S C 0.907 175.426 174.600 -0.134 0.000 1.167 179 S CA 0.036 58.170 58.200 -0.111 0.000 0.847 179 S CB 0.919 64.051 63.200 -0.113 0.000 1.216 179 S HN 1.002 nan 8.310 nan 0.000 0.532 180 S N 0.651 116.264 115.700 -0.145 0.000 2.392 180 S HA -0.219 4.251 4.470 -0.000 0.000 0.232 180 S C 1.094 175.517 174.600 -0.295 0.000 1.041 180 S CA 2.058 60.103 58.200 -0.258 0.000 1.026 180 S CB -1.309 61.876 63.200 -0.026 0.000 0.845 180 S HN 0.721 nan 8.310 nan 0.000 0.465 181 D N 1.870 122.238 120.400 -0.052 0.000 2.182 181 D HA -0.055 4.585 4.640 -0.000 0.000 0.201 181 D C 1.570 177.919 176.300 0.081 0.000 0.986 181 D CA 1.411 55.438 54.000 0.046 0.000 0.847 181 D CB -0.361 40.666 40.800 0.378 0.000 0.942 181 D HN 0.576 nan 8.370 nan 0.000 0.467 182 D N -0.449 119.972 120.400 0.035 0.000 2.262 182 D HA -0.026 4.614 4.640 -0.000 0.000 0.212 182 D C 2.193 178.479 176.300 -0.023 0.000 0.964 182 D CA -0.077 53.961 54.000 0.063 0.000 0.875 182 D CB -0.114 40.735 40.800 0.081 0.000 0.996 182 D HN 0.104 nan 8.370 nan 0.000 0.497 183 L N 0.937 122.054 121.223 -0.177 0.000 1.990 183 L HA -0.209 4.131 4.340 -0.000 0.000 0.213 183 L C 1.825 178.686 176.870 -0.015 0.000 1.072 183 L CA 1.652 56.396 54.840 -0.161 0.000 0.755 183 L CB -0.749 41.105 42.059 -0.341 0.000 0.889 183 L HN -0.135 nan 8.230 nan 0.000 0.432 184 F N -0.506 119.523 119.950 0.132 0.000 2.583 184 F HA -0.037 4.490 4.527 -0.000 0.000 0.297 184 F C 2.192 178.014 175.800 0.037 0.000 1.131 184 F CA 0.778 58.809 58.000 0.052 0.000 1.467 184 F CB -1.266 37.709 39.000 -0.043 0.000 1.097 184 F HN 0.404 nan 8.300 nan 0.000 0.586 185 S N -1.777 114.038 115.700 0.192 0.000 2.900 185 S HA 0.261 4.731 4.470 -0.000 0.000 0.253 185 S C 0.101 174.793 174.600 0.153 0.000 1.029 185 S CA -0.489 57.806 58.200 0.157 0.000 1.096 185 S CB -0.564 62.734 63.200 0.164 0.000 1.067 185 S HN 0.003 nan 8.310 nan 0.000 0.610 186 L N 4.191 125.525 121.223 0.184 0.000 2.615 186 L HA 0.172 4.511 4.340 -0.000 0.000 0.284 186 L C -1.257 175.678 176.870 0.109 0.000 1.237 186 L CA -0.486 54.385 54.840 0.051 0.000 0.905 186 L CB 0.282 42.331 42.059 -0.018 0.000 1.149 186 L HN 0.135 nan 8.230 nan 0.000 0.499 187 P HA 0.013 nan 4.420 nan 0.000 0.255 187 P C -1.255 176.156 177.300 0.185 0.000 1.248 187 P CA 0.403 63.573 63.100 0.117 0.000 0.807 187 P CB 0.080 31.882 31.700 0.170 0.000 1.150 188 Y N -2.994 117.401 120.300 0.158 0.000 2.581 188 Y HA 0.460 5.010 4.550 -0.000 0.000 0.337 188 Y C -0.495 175.261 175.900 -0.239 0.000 1.108 188 Y CA -2.212 55.915 58.100 0.045 0.000 1.033 188 Y CB 0.019 38.480 38.460 0.002 0.000 1.318 188 Y HN -0.202 nan 8.280 nan 0.000 0.459 189 C N 6.135 125.357 119.300 -0.130 0.000 2.592 189 C HA 0.172 4.632 4.460 -0.000 0.000 0.408 189 C C -0.581 174.207 174.990 -0.338 0.000 1.436 189 C CA -0.853 57.863 59.018 -0.503 0.000 1.595 189 C CB -0.170 27.520 27.740 -0.083 0.000 2.487 189 C HN 0.776 nan 8.230 nan 0.000 0.610 190 P HA 0.103 nan 4.420 nan 0.000 0.231 190 P C 1.034 178.266 177.300 -0.113 0.000 1.158 190 P CA 1.716 64.652 63.100 -0.273 0.000 0.763 190 P CB -0.285 31.163 31.700 -0.420 0.000 0.805 191 G N 1.376 110.106 108.800 -0.117 0.000 2.581 191 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.289 191 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.289 191 G C -0.312 174.573 174.900 -0.024 0.000 1.303 191 G CA 0.062 45.135 45.100 -0.044 0.000 0.931 191 G HN 0.560 nan 8.290 nan 0.000 0.555 192 K N 0.509 120.917 120.400 0.012 0.000 2.404 192 K HA 0.238 4.558 4.320 -0.000 0.000 0.271 192 K C 0.074 176.715 176.600 0.067 0.000 1.130 192 K CA 1.333 57.655 56.287 0.059 0.000 1.181 192 K CB -0.440 32.116 32.500 0.094 0.000 0.840 192 K HN 0.573 nan 8.250 nan 0.000 0.483 193 T N 4.533 119.080 114.554 -0.012 0.000 2.912 193 T HA 0.482 4.832 4.350 -0.000 0.000 0.288 193 T C -1.338 173.188 174.700 -0.289 0.000 1.030 193 T CA -0.848 61.186 62.100 -0.111 0.000 1.020 193 T CB 1.220 70.008 68.868 -0.133 0.000 1.056 193 T HN 0.492 nan 8.240 nan 0.000 0.480 194 L N 2.591 123.566 121.223 -0.414 0.000 2.404 194 L HA 0.734 5.073 4.340 -0.000 0.000 0.272 194 L C -1.300 175.360 176.870 -0.349 0.000 0.980 194 L CA -0.711 53.771 54.840 -0.596 0.000 0.836 194 L CB 1.175 42.547 42.059 -1.146 0.000 1.238 194 L HN 0.423 nan 8.230 nan 0.000 0.408 195 V N 5.413 125.152 119.914 -0.293 0.000 2.481 195 V HA 0.583 4.703 4.120 -0.000 0.000 0.286 195 V C -0.127 175.861 176.094 -0.176 0.000 1.042 195 V CA -0.622 61.551 62.300 -0.211 0.000 0.928 195 V CB 1.743 33.446 31.823 -0.200 0.000 0.986 195 V HN 0.582 nan 8.190 nan 0.000 0.462 196 V N 4.053 123.890 119.914 -0.128 0.000 2.384 196 V HA 0.952 5.072 4.120 -0.000 0.000 0.287 196 V C 0.476 176.540 176.094 -0.050 0.000 1.020 196 V CA 0.658 62.910 62.300 -0.080 0.000 0.850 196 V CB 0.869 32.653 31.823 -0.066 0.000 0.987 196 V HN 1.335 nan 8.190 nan 0.000 0.436 197 G N 4.147 112.941 108.800 -0.009 0.000 2.423 197 G HA2 0.473 4.433 3.960 -0.000 0.000 0.684 197 G HA3 0.473 4.433 3.960 -0.000 0.000 0.684 197 G C -0.437 174.490 174.900 0.045 0.000 1.309 197 G CA -0.049 45.057 45.100 0.011 0.000 0.950 197 G HN 1.639 nan 8.290 nan 0.000 0.587 198 A N -0.132 122.726 122.820 0.062 0.000 3.106 198 A HA 0.770 5.089 4.320 -0.000 0.000 0.227 198 A C 0.608 178.258 177.584 0.110 0.000 0.920 198 A CA 1.083 53.183 52.037 0.105 0.000 1.088 198 A CB -0.344 18.734 19.000 0.129 0.000 1.233 198 A HN 2.224 nan 8.150 nan 0.000 0.503 199 S N -0.725 115.016 115.700 0.069 0.000 2.707 199 S HA 0.494 4.963 4.470 -0.000 0.000 0.276 199 S C 1.127 175.802 174.600 0.126 0.000 1.179 199 S CA -0.026 58.210 58.200 0.060 0.000 0.992 199 S CB 0.132 63.279 63.200 -0.087 0.000 1.030 199 S HN 0.858 nan 8.310 nan 0.000 0.554 200 Y N -0.564 119.850 120.300 0.190 0.000 2.128 200 Y HA -0.104 4.446 4.550 -0.000 0.000 0.284 200 Y C 1.981 177.955 175.900 0.123 0.000 1.154 200 Y CA 1.270 59.454 58.100 0.141 0.000 1.149 200 Y CB -1.396 37.158 38.460 0.157 0.000 0.976 200 Y HN 0.269 nan 8.280 nan 0.000 0.505 201 V N 1.729 121.685 119.914 0.069 0.000 2.250 201 V HA -0.423 3.697 4.120 -0.000 0.000 0.250 201 V C 2.982 179.132 176.094 0.093 0.000 1.060 201 V CA 2.167 64.552 62.300 0.143 0.000 1.030 201 V CB -1.667 30.143 31.823 -0.023 0.000 0.643 201 V HN 0.704 nan 8.190 nan 0.000 0.445 202 A N 0.016 122.851 122.820 0.024 0.000 1.859 202 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 202 A C 2.196 179.779 177.584 -0.002 0.000 1.209 202 A CA 2.508 54.542 52.037 -0.004 0.000 0.639 202 A CB -0.758 18.247 19.000 0.008 0.000 0.835 202 A HN 0.528 nan 8.150 nan 0.000 0.450 203 L N -1.047 120.216 121.223 0.067 0.000 2.093 203 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 203 L C 2.614 179.510 176.870 0.044 0.000 1.085 203 L CA 1.580 56.463 54.840 0.071 0.000 0.755 203 L CB -0.813 41.327 42.059 0.137 0.000 0.904 203 L HN 0.497 nan 8.230 nan 0.000 0.435 204 E N -0.213 120.051 120.200 0.107 0.000 2.058 204 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 204 E C 2.344 178.923 176.600 -0.035 0.000 0.997 204 E CA 1.744 58.232 56.400 0.145 0.000 0.801 204 E CB -0.195 29.680 29.700 0.292 0.000 0.746 204 E HN 0.550 nan 8.360 nan 0.000 0.450 205 C N 0.650 119.824 119.300 -0.211 0.000 2.446 205 C HA -0.021 4.438 4.460 -0.000 0.000 0.277 205 C C 2.924 177.400 174.990 -0.856 0.000 1.275 205 C CA 0.614 59.073 59.018 -0.932 0.000 1.727 205 C CB -0.942 26.547 27.740 -0.418 0.000 2.010 205 C HN 0.510 nan 8.230 nan 0.000 0.486 206 A N 1.086 123.673 122.820 -0.388 0.000 1.940 206 A HA 0.010 4.329 4.320 -0.000 0.000 0.219 206 A C 2.336 179.781 177.584 -0.231 0.000 1.176 206 A CA 2.225 54.089 52.037 -0.289 0.000 0.631 206 A CB -1.265 17.606 19.000 -0.215 0.000 0.814 206 A HN 0.558 nan 8.150 nan 0.000 0.446 207 G N 0.164 108.867 108.800 -0.161 0.000 2.511 207 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 207 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 207 G C 1.392 176.338 174.900 0.076 0.000 1.218 207 G CA 1.403 46.497 45.100 -0.011 0.000 0.788 207 G HN 0.818 nan 8.290 nan 0.000 0.560 208 F N 0.810 120.845 119.950 0.141 0.000 2.234 208 F HA 0.185 4.712 4.527 -0.000 0.000 0.299 208 F C 2.253 178.123 175.800 0.117 0.000 1.087 208 F CA 0.493 58.578 58.000 0.141 0.000 1.340 208 F CB -0.754 38.351 39.000 0.176 0.000 1.031 208 F HN 0.062 nan 8.300 nan 0.000 0.500 209 L N 0.816 122.101 121.223 0.104 0.000 2.042 209 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 209 L C 2.982 179.917 176.870 0.109 0.000 1.076 209 L CA 1.334 56.281 54.840 0.179 0.000 0.749 209 L CB -1.206 40.828 42.059 -0.043 0.000 0.893 209 L HN 0.376 nan 8.230 nan 0.000 0.432 210 A N 0.357 123.194 122.820 0.027 0.000 1.898 210 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 210 A C 2.392 180.008 177.584 0.053 0.000 1.181 210 A CA 1.627 53.676 52.037 0.020 0.000 0.620 210 A CB -1.257 17.734 19.000 -0.015 0.000 0.819 210 A HN 0.441 nan 8.150 nan 0.000 0.442 211 G N 0.578 109.428 108.800 0.083 0.000 2.479 211 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.220 211 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.220 211 G C 1.284 176.200 174.900 0.025 0.000 1.115 211 G CA 1.151 46.293 45.100 0.069 0.000 0.757 211 G HN 0.923 nan 8.290 nan 0.000 0.560 212 I N -3.408 117.185 120.570 0.039 0.000 3.861 212 I HA 0.557 4.726 4.170 -0.000 0.000 0.329 212 I C 1.329 177.468 176.117 0.037 0.000 1.321 212 I CA 0.354 61.609 61.300 -0.074 0.000 1.126 212 I CB 0.244 38.131 38.000 -0.188 0.000 1.018 212 I HN 0.130 nan 8.210 nan 0.000 0.407 213 G N 1.348 110.183 108.800 0.059 0.000 2.184 213 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.206 213 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.206 213 G C -0.059 174.881 174.900 0.067 0.000 0.995 213 G CA -0.186 44.956 45.100 0.069 0.000 0.651 213 G HN 0.331 nan 8.290 nan 0.000 0.511 214 L N 1.035 122.298 121.223 0.066 0.000 2.399 214 L HA 0.492 4.832 4.340 -0.000 0.000 0.265 214 L C 0.323 177.200 176.870 0.010 0.000 1.089 214 L CA -0.880 53.983 54.840 0.038 0.000 0.802 214 L CB 0.909 42.985 42.059 0.029 0.000 1.180 214 L HN 0.133 nan 8.230 nan 0.000 0.454 215 D N 1.784 122.185 120.400 0.003 0.000 2.336 215 D HA 0.242 4.882 4.640 -0.000 0.000 0.249 215 D C -1.007 175.276 176.300 -0.029 0.000 1.213 215 D CA -0.057 53.941 54.000 -0.003 0.000 0.870 215 D CB 0.933 41.743 40.800 0.017 0.000 1.076 215 D HN 0.059 nan 8.370 nan 0.000 0.483 216 V N 3.329 123.204 119.914 -0.065 0.000 2.715 216 V HA 0.552 4.672 4.120 -0.000 0.000 0.310 216 V C 0.371 176.355 176.094 -0.184 0.000 1.054 216 V CA -0.672 61.549 62.300 -0.133 0.000 0.928 216 V CB 2.236 33.965 31.823 -0.157 0.000 1.007 216 V HN 0.565 nan 8.190 nan 0.000 0.437 217 T N 2.227 116.623 114.554 -0.262 0.000 2.909 217 T HA 0.684 5.034 4.350 -0.000 0.000 0.299 217 T C -1.016 173.448 174.700 -0.393 0.000 1.073 217 T CA -0.531 61.384 62.100 -0.308 0.000 0.999 217 T CB 2.052 70.781 68.868 -0.231 0.000 1.098 217 T HN 0.386 nan 8.240 nan 0.000 0.477 218 V N 3.101 122.730 119.914 -0.474 0.000 2.525 218 V HA 0.448 4.568 4.120 -0.000 0.000 0.299 218 V C -0.465 175.535 176.094 -0.157 0.000 1.034 218 V CA -0.692 61.376 62.300 -0.386 0.000 0.863 218 V CB 1.770 33.254 31.823 -0.566 0.000 0.999 218 V HN 0.854 nan 8.190 nan 0.000 0.423 219 M N 4.877 124.432 119.600 -0.076 0.000 2.157 219 M HA 0.536 5.015 4.480 -0.000 0.000 0.354 219 M C -0.921 175.436 176.300 0.095 0.000 1.170 219 M CA -0.431 54.890 55.300 0.034 0.000 1.060 219 M CB 1.649 34.258 32.600 0.014 0.000 1.615 219 M HN 0.422 nan 8.290 nan 0.000 0.460 220 V N 4.130 124.143 119.914 0.165 0.000 2.581 220 V HA 0.384 4.504 4.120 -0.000 0.000 0.303 220 V C 0.738 176.907 176.094 0.126 0.000 1.041 220 V CA -0.648 61.742 62.300 0.150 0.000 0.907 220 V CB 1.804 33.735 31.823 0.180 0.000 0.994 220 V HN 0.917 nan 8.190 nan 0.000 0.442 221 R N 2.324 122.876 120.500 0.087 0.000 2.052 221 R HA -0.022 4.318 4.340 -0.000 0.000 0.224 221 R C 1.635 177.963 176.300 0.046 0.000 1.149 221 R CA 1.818 57.956 56.100 0.063 0.000 0.962 221 R CB 0.088 30.413 30.300 0.043 0.000 0.856 221 R HN 0.889 nan 8.270 nan 0.000 0.433 222 S N 0.137 115.862 115.700 0.042 0.000 3.375 222 S HA 0.264 4.734 4.470 -0.000 0.000 0.178 222 S C 0.804 175.421 174.600 0.029 0.000 0.868 222 S CA -0.328 57.889 58.200 0.028 0.000 1.129 222 S CB -0.487 62.724 63.200 0.019 0.000 1.035 222 S HN 0.307 nan 8.310 nan 0.000 0.840 223 I N 0.786 121.373 120.570 0.028 0.000 2.797 223 I HA 0.551 4.721 4.170 -0.000 0.000 0.310 223 I C -0.472 175.672 176.117 0.045 0.000 0.990 223 I CA -1.184 60.130 61.300 0.024 0.000 1.228 223 I CB 0.443 38.459 38.000 0.027 0.000 1.406 223 I HN 0.379 nan 8.210 nan 0.000 0.534 224 L N 3.883 125.128 121.223 0.036 0.000 2.375 224 L HA 0.333 4.673 4.340 -0.000 0.000 0.271 224 L C 0.294 177.243 176.870 0.132 0.000 1.107 224 L CA -0.952 53.930 54.840 0.070 0.000 0.806 224 L CB 0.981 43.053 42.059 0.021 0.000 1.146 224 L HN 0.670 nan 8.230 nan 0.000 0.447 225 L N 1.689 123.030 121.223 0.196 0.000 3.954 225 L HA -0.248 4.092 4.340 -0.000 0.000 0.462 225 L C 0.882 177.941 176.870 0.315 0.000 1.195 225 L CA 0.204 55.255 54.840 0.351 0.000 0.739 225 L CB -1.510 40.806 42.059 0.429 0.000 1.599 225 L HN 0.727 nan 8.230 nan 0.000 0.838 226 R N 0.896 121.500 120.500 0.174 0.000 2.583 226 R HA 0.199 4.539 4.340 -0.000 0.000 0.274 226 R C 1.452 177.785 176.300 0.055 0.000 0.998 226 R CA 1.402 57.562 56.100 0.100 0.000 1.081 226 R CB 0.316 30.651 30.300 0.057 0.000 0.940 226 R HN 0.522 nan 8.270 nan 0.000 0.413 227 G N 3.210 112.014 108.800 0.005 0.000 2.397 227 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.211 227 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.211 227 G C -0.152 174.659 174.900 -0.148 0.000 1.077 227 G CA -0.078 44.945 45.100 -0.128 0.000 0.649 227 G HN 0.499 nan 8.290 nan 0.000 0.511 228 F N 2.433 122.460 119.950 0.129 0.000 2.378 228 F HA 0.479 5.006 4.527 -0.000 0.000 0.319 228 F C 0.980 176.862 175.800 0.137 0.000 1.155 228 F CA -0.513 57.592 58.000 0.175 0.000 1.157 228 F CB 0.420 39.572 39.000 0.252 0.000 1.252 228 F HN 0.075 nan 8.300 nan 0.000 0.550 229 D N 1.554 122.180 120.400 0.377 0.000 2.520 229 D HA -0.110 4.530 4.640 -0.000 0.000 0.243 229 D C 0.777 177.125 176.300 0.080 0.000 1.160 229 D CA 0.070 54.147 54.000 0.129 0.000 0.877 229 D CB 0.940 41.700 40.800 -0.067 0.000 1.150 229 D HN 0.434 nan 8.370 nan 0.000 0.494 230 Q N 2.914 122.733 119.800 0.031 0.000 2.167 230 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 230 Q C 1.323 177.285 176.000 -0.063 0.000 0.970 230 Q CA 1.006 56.811 55.803 0.003 0.000 0.855 230 Q CB -0.235 28.502 28.738 -0.000 0.000 0.911 230 Q HN 0.674 nan 8.270 nan 0.000 0.438 231 D N -0.557 119.784 120.400 -0.100 0.000 2.084 231 D HA -0.160 4.480 4.640 -0.000 0.000 0.194 231 D C 1.664 177.828 176.300 -0.227 0.000 0.990 231 D CA 1.246 55.152 54.000 -0.156 0.000 0.826 231 D CB 0.125 40.831 40.800 -0.156 0.000 0.971 231 D HN 0.026 nan 8.370 nan 0.000 0.453 232 M N 0.792 120.236 119.600 -0.260 0.000 2.065 232 M HA -0.056 4.423 4.480 -0.000 0.000 0.259 232 M C 2.494 178.584 176.300 -0.351 0.000 1.069 232 M CA 1.565 56.616 55.300 -0.416 0.000 1.110 232 M CB -1.683 30.527 32.600 -0.650 0.000 1.328 232 M HN 0.181 nan 8.290 nan 0.000 0.405 233 A N 0.683 123.388 122.820 -0.193 0.000 1.869 233 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 233 A C 2.130 179.650 177.584 -0.107 0.000 1.203 233 A CA 2.517 54.502 52.037 -0.087 0.000 0.638 233 A CB -1.235 17.780 19.000 0.025 0.000 0.831 233 A HN 0.529 nan 8.150 nan 0.000 0.450 234 N N -0.385 118.246 118.700 -0.114 0.000 2.149 234 N HA -0.130 4.610 4.740 -0.000 0.000 0.188 234 N C 1.682 177.116 175.510 -0.126 0.000 1.019 234 N CA 1.457 54.435 53.050 -0.119 0.000 0.857 234 N CB -0.144 38.276 38.487 -0.112 0.000 0.997 234 N HN 0.459 nan 8.380 nan 0.000 0.426 235 K N 0.254 120.555 120.400 -0.165 0.000 2.057 235 K HA -0.015 4.305 4.320 -0.000 0.000 0.206 235 K C 2.034 178.590 176.600 -0.073 0.000 1.050 235 K CA 0.742 56.937 56.287 -0.154 0.000 0.935 235 K CB -0.261 32.080 32.500 -0.266 0.000 0.715 235 K HN 0.326 nan 8.250 nan 0.000 0.439 236 I N 0.716 121.233 120.570 -0.089 0.000 2.179 236 I HA -0.202 3.968 4.170 -0.000 0.000 0.242 236 I C 2.554 178.705 176.117 0.057 0.000 1.088 236 I CA 1.399 62.703 61.300 0.007 0.000 1.357 236 I CB -1.049 36.938 38.000 -0.021 0.000 1.051 236 I HN 0.208 nan 8.210 nan 0.000 0.409 237 G N 0.760 109.545 108.800 -0.026 0.000 2.545 237 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 237 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 237 G C 1.480 176.355 174.900 -0.042 0.000 1.218 237 G CA 0.911 45.948 45.100 -0.104 0.000 0.787 237 G HN 0.416 nan 8.290 nan 0.000 0.571 238 E N -0.642 119.534 120.200 -0.041 0.000 2.114 238 E HA -0.254 4.096 4.350 -0.000 0.000 0.199 238 E C 2.143 178.813 176.600 0.116 0.000 1.008 238 E CA 1.208 57.617 56.400 0.015 0.000 0.810 238 E CB -0.325 29.377 29.700 0.003 0.000 0.739 238 E HN 0.695 nan 8.360 nan 0.000 0.456 239 H N -0.067 119.033 119.070 0.049 0.000 2.357 239 H HA -0.060 4.496 4.556 -0.000 0.000 0.301 239 H C 2.160 177.589 175.328 0.169 0.000 1.082 239 H CA 1.186 57.299 56.048 0.108 0.000 1.342 239 H CB 0.098 29.894 29.762 0.056 0.000 1.389 239 H HN 0.146 nan 8.280 nan 0.000 0.511 240 M N 0.443 120.052 119.600 0.016 0.000 2.099 240 M HA -0.153 4.326 4.480 -0.000 0.000 0.262 240 M C 2.420 178.786 176.300 0.109 0.000 1.067 240 M CA 1.768 57.081 55.300 0.021 0.000 1.124 240 M CB -0.067 32.654 32.600 0.201 0.000 1.353 240 M HN 0.307 nan 8.290 nan 0.000 0.410 241 E N 0.201 120.522 120.200 0.201 0.000 2.153 241 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 241 E C 1.760 178.415 176.600 0.091 0.000 0.988 241 E CA 1.115 57.636 56.400 0.201 0.000 0.811 241 E CB 0.082 29.888 29.700 0.177 0.000 0.746 241 E HN 0.472 nan 8.360 nan 0.000 0.466 242 E N -0.978 119.264 120.200 0.071 0.000 2.371 242 E HA -0.101 4.248 4.350 -0.000 0.000 0.194 242 E C 0.069 176.621 176.600 -0.080 0.000 1.012 242 E CA 0.330 56.740 56.400 0.017 0.000 0.860 242 E CB 0.209 29.954 29.700 0.075 0.000 0.811 242 E HN 0.298 nan 8.360 nan 0.000 0.502 243 H N -1.375 117.625 119.070 -0.116 0.000 2.474 243 H HA 0.289 4.845 4.556 -0.000 0.000 0.250 243 H C 0.468 175.745 175.328 -0.085 0.000 1.307 243 H CA 0.351 56.321 56.048 -0.132 0.000 1.058 243 H CB 0.864 30.465 29.762 -0.268 0.000 1.693 243 H HN 0.322 nan 8.280 nan 0.000 0.552 244 G N 0.400 109.208 108.800 0.013 0.000 4.391 244 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.210 244 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.210 244 G C 0.345 175.237 174.900 -0.015 0.000 1.547 244 G CA -0.256 44.845 45.100 0.001 0.000 1.103 244 G HN 0.352 nan 8.290 nan 0.000 0.637 245 I N 3.064 123.615 120.570 -0.032 0.000 3.214 245 I HA -0.008 4.162 4.170 -0.000 0.000 0.332 245 I C 0.916 176.963 176.117 -0.116 0.000 1.225 245 I CA 0.997 62.229 61.300 -0.112 0.000 1.453 245 I CB 0.113 38.042 38.000 -0.118 0.000 1.321 245 I HN 0.289 nan 8.210 nan 0.000 0.518 246 K N 6.439 126.723 120.400 -0.192 0.000 2.095 246 K HA 0.688 5.008 4.320 -0.000 0.000 0.252 246 K C -0.977 175.435 176.600 -0.313 0.000 0.977 246 K CA -0.598 55.620 56.287 -0.116 0.000 0.900 246 K CB 1.444 33.907 32.500 -0.061 0.000 1.060 246 K HN 0.214 nan 8.250 nan 0.000 0.449 247 F N 0.838 120.779 119.950 -0.015 0.000 2.577 247 F HA 0.495 5.022 4.527 0.000 0.000 0.318 247 F C -0.222 175.571 175.800 -0.012 0.000 1.065 247 F CA -0.885 57.107 58.000 -0.014 0.000 0.929 247 F CB 1.562 40.561 39.000 -0.001 0.000 1.237 247 F HN 0.171 nan 8.300 nan 0.000 0.468 248 I N 3.154 123.835 120.570 0.186 0.000 2.439 248 I HA 0.414 4.584 4.170 -0.000 0.000 0.283 248 I C -0.792 175.445 176.117 0.200 0.000 1.023 248 I CA -0.672 60.686 61.300 0.098 0.000 1.100 248 I CB 1.767 39.750 38.000 -0.030 0.000 1.238 248 I HN 0.516 nan 8.210 nan 0.000 0.445 249 R N 5.032 125.664 120.500 0.219 0.000 2.486 249 R HA 0.468 4.808 4.340 -0.000 0.000 0.286 249 R C -0.415 176.068 176.300 0.306 0.000 0.999 249 R CA -0.645 55.587 56.100 0.219 0.000 0.993 249 R CB 0.863 31.240 30.300 0.128 0.000 1.084 249 R HN 0.495 nan 8.270 nan 0.000 0.487 250 Q N 0.934 120.855 119.800 0.203 0.000 2.459 250 Q HA -0.225 4.115 4.340 -0.000 0.000 0.322 250 Q C -1.403 174.623 176.000 0.045 0.000 1.427 250 Q CA 0.729 56.594 55.803 0.102 0.000 0.861 250 Q CB -1.232 27.518 28.738 0.021 0.000 1.137 250 Q HN 0.404 nan 8.270 nan 0.000 0.394 251 F N -1.034 118.938 119.950 0.036 0.000 2.615 251 F HA 0.548 5.075 4.527 -0.000 0.000 0.312 251 F C -0.172 175.646 175.800 0.030 0.000 1.119 251 F CA -0.858 57.162 58.000 0.034 0.000 0.979 251 F CB 1.763 40.787 39.000 0.039 0.000 1.266 251 F HN -0.135 nan 8.300 nan 0.000 0.444 252 V N 3.849 123.881 119.914 0.198 0.000 2.680 252 V HA 0.556 4.676 4.120 -0.000 0.000 0.309 252 V C -2.386 173.795 176.094 0.146 0.000 1.052 252 V CA -2.283 60.094 62.300 0.128 0.000 0.908 252 V CB 2.358 34.220 31.823 0.065 0.000 1.001 252 V HN 0.447 nan 8.190 nan 0.000 0.431 253 P HA 0.402 nan 4.420 nan 0.000 0.277 253 P C 0.500 177.856 177.300 0.094 0.000 1.240 253 P CA -0.196 62.969 63.100 0.108 0.000 0.798 253 P CB 0.687 32.437 31.700 0.083 0.000 0.979 254 I N -0.401 120.226 120.570 0.095 0.000 4.312 254 I HA 0.323 4.493 4.170 -0.000 0.000 0.324 254 I C 0.175 176.337 176.117 0.076 0.000 1.298 254 I CA 0.018 61.365 61.300 0.078 0.000 1.231 254 I CB -0.116 37.928 38.000 0.073 0.000 1.152 254 I HN 0.239 nan 8.210 nan 0.000 0.421 255 K N 1.182 121.633 120.400 0.085 0.000 2.572 255 K HA 0.676 4.996 4.320 -0.000 0.000 0.263 255 K C -1.594 175.070 176.600 0.107 0.000 0.932 255 K CA -0.768 55.572 56.287 0.089 0.000 0.838 255 K CB 2.609 35.154 32.500 0.075 0.000 1.366 255 K HN -0.144 nan 8.250 nan 0.000 0.425 256 V N 1.509 121.505 119.914 0.135 0.000 2.540 256 V HA 0.470 4.590 4.120 -0.000 0.000 0.302 256 V C -0.887 175.351 176.094 0.239 0.000 1.035 256 V CA -0.626 61.776 62.300 0.171 0.000 0.873 256 V CB 1.579 33.525 31.823 0.205 0.000 0.992 256 V HN 0.854 nan 8.190 nan 0.000 0.428 257 E N 2.217 122.524 120.200 0.179 0.000 2.314 257 E HA 0.376 4.726 4.350 -0.000 0.000 0.272 257 E C -1.111 175.466 176.600 -0.037 0.000 0.884 257 E CA -0.755 55.763 56.400 0.197 0.000 0.753 257 E CB 2.739 32.514 29.700 0.126 0.000 1.213 257 E HN 0.705 nan 8.360 nan 0.000 0.432 258 Q N 3.142 122.795 119.800 -0.244 0.000 2.344 258 Q HA 0.099 4.439 4.340 -0.000 0.000 0.253 258 Q C 0.153 176.028 176.000 -0.209 0.000 1.050 258 Q CA -0.130 55.350 55.803 -0.538 0.000 0.912 258 Q CB 0.416 28.529 28.738 -1.042 0.000 1.258 258 Q HN 0.548 nan 8.270 nan 0.000 0.443 259 I N 3.296 123.767 120.570 -0.165 0.000 2.830 259 I HA -0.019 4.151 4.170 -0.000 0.000 0.263 259 I C 0.288 176.346 176.117 -0.099 0.000 1.230 259 I CA 1.098 62.339 61.300 -0.100 0.000 1.480 259 I CB -0.212 37.736 38.000 -0.087 0.000 1.095 259 I HN 0.745 nan 8.210 nan 0.000 0.455 260 E N -0.102 120.016 120.200 -0.137 0.000 3.287 260 E HA 0.370 4.720 4.350 -0.000 0.000 0.355 260 E C -1.215 175.304 176.600 -0.135 0.000 1.027 260 E CA -0.358 55.976 56.400 -0.110 0.000 0.840 260 E CB 0.480 30.128 29.700 -0.086 0.000 1.273 260 E HN 0.009 nan 8.360 nan 0.000 0.458 261 A N 2.520 125.276 122.820 -0.107 0.000 2.425 261 A HA 0.803 5.123 4.320 -0.000 0.000 0.242 261 A C 0.627 178.142 177.584 -0.114 0.000 1.077 261 A CA 0.899 52.873 52.037 -0.104 0.000 0.781 261 A CB 0.721 19.695 19.000 -0.043 0.000 1.020 261 A HN 0.895 nan 8.150 nan 0.000 0.494 262 G N -1.081 107.627 108.800 -0.153 0.000 2.320 262 G HA2 0.524 4.484 3.960 -0.000 0.000 0.296 262 G HA3 0.524 4.484 3.960 -0.000 0.000 0.296 262 G C -0.546 174.133 174.900 -0.368 0.000 1.306 262 G CA 0.248 45.230 45.100 -0.197 0.000 0.836 262 G HN 1.621 nan 8.290 nan 0.000 0.517 263 T N -0.161 114.143 114.554 -0.417 0.000 3.401 263 T HA 0.677 5.027 4.350 -0.000 0.000 0.341 263 T C -2.351 172.017 174.700 -0.554 0.000 1.674 263 T CA -1.070 60.556 62.100 -0.790 0.000 1.600 263 T CB 1.467 70.110 68.868 -0.376 0.000 0.974 263 T HN 0.537 nan 8.240 nan 0.000 0.672 264 P HA 0.564 nan 4.420 nan 0.000 0.281 264 P C 0.595 177.710 177.300 -0.308 0.000 1.281 264 P CA -0.263 62.481 63.100 -0.592 0.000 0.811 264 P CB 1.370 32.967 31.700 -0.173 0.000 1.154 265 G N 0.558 109.211 108.800 -0.245 0.000 2.829 265 G HA2 0.460 4.420 3.960 -0.000 0.000 0.173 265 G HA3 0.460 4.420 3.960 -0.000 0.000 0.173 265 G C -0.561 174.260 174.900 -0.131 0.000 1.476 265 G CA -0.670 44.324 45.100 -0.176 0.000 1.072 265 G HN 0.490 nan 8.290 nan 0.000 0.577 266 R N -0.794 119.625 120.500 -0.135 0.000 2.533 266 R HA 0.482 4.822 4.340 -0.000 0.000 0.288 266 R C -1.191 175.027 176.300 -0.136 0.000 1.039 266 R CA -0.475 55.559 56.100 -0.109 0.000 0.909 266 R CB 1.958 32.197 30.300 -0.101 0.000 1.195 266 R HN 0.268 nan 8.270 nan 0.000 0.438 267 L N 1.840 123.007 121.223 -0.094 0.000 2.301 267 L HA 0.673 5.012 4.340 -0.000 0.000 0.264 267 L C -0.224 176.622 176.870 -0.040 0.000 1.016 267 L CA -1.188 53.594 54.840 -0.096 0.000 0.821 267 L CB 2.169 44.198 42.059 -0.051 0.000 1.346 267 L HN 0.488 nan 8.230 nan 0.000 0.429 268 R N 1.095 121.584 120.500 -0.019 0.000 2.476 268 R HA 0.662 5.002 4.340 -0.000 0.000 0.305 268 R C -1.985 174.350 176.300 0.058 0.000 0.965 268 R CA -0.417 55.680 56.100 -0.005 0.000 0.867 268 R CB 1.986 32.271 30.300 -0.024 0.000 1.176 268 R HN 0.453 nan 8.270 nan 0.000 0.447 269 V N 4.745 124.718 119.914 0.099 0.000 2.483 269 V HA 0.412 4.532 4.120 -0.000 0.000 0.295 269 V C -0.352 175.799 176.094 0.094 0.000 1.035 269 V CA -0.740 61.637 62.300 0.128 0.000 0.896 269 V CB 1.849 33.787 31.823 0.192 0.000 0.986 269 V HN 0.531 nan 8.190 nan 0.000 0.447 270 V N 4.152 124.119 119.914 0.089 0.000 2.409 270 V HA 0.839 4.958 4.120 -0.000 0.000 0.291 270 V C 0.203 176.362 176.094 0.108 0.000 1.020 270 V CA -0.252 62.097 62.300 0.082 0.000 0.848 270 V CB 1.534 33.400 31.823 0.072 0.000 0.990 270 V HN 1.035 nan 8.190 nan 0.000 0.430 271 A N 4.587 127.488 122.820 0.134 0.000 2.413 271 A HA 0.853 5.173 4.320 -0.000 0.000 0.307 271 A C -0.851 176.938 177.584 0.342 0.000 1.087 271 A CA -0.665 51.505 52.037 0.221 0.000 0.750 271 A CB 1.965 21.107 19.000 0.236 0.000 1.296 271 A HN 0.700 nan 8.150 nan 0.000 0.423 272 Q N 0.900 120.885 119.800 0.308 0.000 2.337 272 Q HA 0.523 4.863 4.340 -0.000 0.000 0.266 272 Q C -0.179 175.729 176.000 -0.154 0.000 1.023 272 Q CA -0.450 55.457 55.803 0.174 0.000 0.829 272 Q CB 1.730 30.506 28.738 0.065 0.000 1.306 272 Q HN 0.864 nan 8.270 nan 0.000 0.449 273 S N 1.097 116.428 115.700 -0.615 0.000 2.569 273 S HA -0.036 4.434 4.470 -0.000 0.000 0.274 273 S C 0.847 175.125 174.600 -0.537 0.000 1.353 273 S CA 0.672 58.123 58.200 -1.248 0.000 1.023 273 S CB 0.797 63.489 63.200 -0.847 0.000 0.876 273 S HN 0.766 nan 8.310 nan 0.000 0.540 274 T N 1.352 115.634 114.554 -0.452 0.000 3.086 274 T HA 0.194 4.543 4.350 -0.000 0.000 0.250 274 T C 0.854 175.462 174.700 -0.153 0.000 1.074 274 T CA 0.668 62.638 62.100 -0.216 0.000 0.988 274 T CB -0.692 68.089 68.868 -0.145 0.000 0.988 274 T HN 0.811 nan 8.240 nan 0.000 0.530 275 N N -0.340 118.255 118.700 -0.175 0.000 1.938 275 N HA 0.063 4.803 4.740 -0.000 0.000 0.225 275 N C -0.042 175.412 175.510 -0.093 0.000 1.400 275 N CA -0.158 52.829 53.050 -0.106 0.000 0.772 275 N CB 0.688 39.127 38.487 -0.080 0.000 1.124 275 N HN 0.318 nan 8.380 nan 0.000 0.513 276 S N -0.121 115.504 115.700 -0.126 0.000 2.704 276 S HA 0.425 4.895 4.470 -0.000 0.000 0.296 276 S C 0.158 174.713 174.600 -0.075 0.000 1.138 276 S CA -0.374 57.778 58.200 -0.080 0.000 0.875 276 S CB 2.672 65.834 63.200 -0.064 0.000 1.151 276 S HN -0.032 nan 8.310 nan 0.000 0.500 277 E N 0.647 120.828 120.200 -0.032 0.000 2.463 277 E HA 0.225 4.575 4.350 -0.000 0.000 0.193 277 E C 0.305 176.911 176.600 0.010 0.000 1.041 277 E CA -0.143 56.247 56.400 -0.016 0.000 0.879 277 E CB -0.189 29.509 29.700 -0.002 0.000 0.997 277 E HN 0.681 nan 8.360 nan 0.000 0.478 278 E N 0.250 120.462 120.200 0.019 0.000 2.436 278 E HA 0.098 4.447 4.350 -0.000 0.000 0.262 278 E C -0.379 176.322 176.600 0.168 0.000 1.063 278 E CA 0.336 56.796 56.400 0.100 0.000 0.944 278 E CB 0.498 30.297 29.700 0.164 0.000 0.950 278 E HN 0.193 nan 8.360 nan 0.000 0.444 279 I N 4.619 125.314 120.570 0.208 0.000 2.692 279 I HA 0.327 4.497 4.170 -0.000 0.000 0.293 279 I C -0.383 175.841 176.117 0.179 0.000 1.200 279 I CA -0.646 60.793 61.300 0.230 0.000 1.036 279 I CB 1.564 39.640 38.000 0.126 0.000 1.258 279 I HN 0.432 nan 8.210 nan 0.000 0.421 280 I N 2.105 122.765 120.570 0.150 0.000 3.206 280 I HA 0.691 4.860 4.170 -0.000 0.000 0.313 280 I C -1.001 175.120 176.117 0.008 0.000 1.103 280 I CA -0.778 60.528 61.300 0.011 0.000 0.985 280 I CB 2.311 40.215 38.000 -0.159 0.000 1.240 280 I HN 0.455 nan 8.210 nan 0.000 0.464 281 E N 0.563 120.750 120.200 -0.023 0.000 2.304 281 E HA 0.612 4.962 4.350 -0.000 0.000 0.277 281 E C -1.071 175.493 176.600 -0.060 0.000 0.898 281 E CA -0.720 55.671 56.400 -0.015 0.000 0.764 281 E CB 2.640 32.333 29.700 -0.012 0.000 1.216 281 E HN 0.950 nan 8.360 nan 0.000 0.419 282 G N 1.527 110.285 108.800 -0.069 0.000 2.619 282 G HA2 0.482 4.442 3.960 -0.000 0.000 0.296 282 G HA3 0.482 4.442 3.960 -0.000 0.000 0.296 282 G C -1.382 173.270 174.900 -0.414 0.000 1.334 282 G CA -0.546 44.402 45.100 -0.253 0.000 0.934 282 G HN 0.443 nan 8.290 nan 0.000 0.476 283 E N -0.414 119.419 120.200 -0.612 0.000 2.179 283 E HA 0.657 5.007 4.350 -0.000 0.000 0.275 283 E C -1.501 174.613 176.600 -0.810 0.000 0.945 283 E CA -0.678 55.422 56.400 -0.500 0.000 0.792 283 E CB 1.243 30.776 29.700 -0.280 0.000 1.125 283 E HN 0.466 nan 8.360 nan 0.000 0.397 284 Y N 2.136 122.401 120.300 -0.058 0.000 2.562 284 Y HA 0.239 4.788 4.550 -0.000 0.000 0.345 284 Y C 0.479 176.341 175.900 -0.064 0.000 1.045 284 Y CA -0.920 57.144 58.100 -0.060 0.000 1.028 284 Y CB 1.870 40.295 38.460 -0.057 0.000 1.297 284 Y HN 0.550 nan 8.280 nan 0.000 0.463 285 N N -0.441 118.323 118.700 0.107 0.000 2.300 285 N HA 0.026 4.766 4.740 -0.000 0.000 0.179 285 N C -0.374 175.161 175.510 0.041 0.000 1.016 285 N CA 1.165 54.233 53.050 0.030 0.000 0.876 285 N CB 0.293 38.785 38.487 0.008 0.000 0.979 285 N HN 0.492 nan 8.380 nan 0.000 0.432 286 T N -0.569 114.017 114.554 0.053 0.000 2.896 286 T HA 0.582 4.932 4.350 -0.000 0.000 0.297 286 T C -1.228 173.467 174.700 -0.008 0.000 1.108 286 T CA -0.622 61.497 62.100 0.031 0.000 1.004 286 T CB 2.825 71.692 68.868 -0.002 0.000 1.159 286 T HN -0.382 nan 8.240 nan 0.000 0.499 287 V N 2.382 122.288 119.914 -0.014 0.000 2.509 287 V HA 0.412 4.532 4.120 -0.000 0.000 0.289 287 V C -0.622 175.435 176.094 -0.061 0.000 1.026 287 V CA -0.619 61.646 62.300 -0.058 0.000 0.872 287 V CB 1.595 33.419 31.823 0.003 0.000 1.017 287 V HN 0.854 nan 8.190 nan 0.000 0.436 288 M N 5.663 125.196 119.600 -0.112 0.000 2.209 288 M HA 0.586 5.066 4.480 -0.000 0.000 0.355 288 M C -1.331 174.886 176.300 -0.138 0.000 1.171 288 M CA -0.553 54.676 55.300 -0.119 0.000 1.069 288 M CB 1.236 33.755 32.600 -0.134 0.000 1.622 288 M HN 0.492 nan 8.290 nan 0.000 0.459 289 L N 4.883 126.003 121.223 -0.172 0.000 2.265 289 L HA 0.539 4.879 4.340 -0.000 0.000 0.289 289 L C -0.070 176.688 176.870 -0.187 0.000 1.033 289 L CA -0.529 54.189 54.840 -0.203 0.000 0.814 289 L CB 1.259 43.110 42.059 -0.347 0.000 1.203 289 L HN 0.861 nan 8.230 nan 0.000 0.423 290 A N 4.958 127.700 122.820 -0.130 0.000 3.297 290 A HA 0.356 4.676 4.320 -0.000 0.000 0.304 290 A C 0.691 178.229 177.584 -0.077 0.000 0.963 290 A CA -0.405 51.571 52.037 -0.101 0.000 0.935 290 A CB 0.003 18.954 19.000 -0.082 0.000 1.093 290 A HN 0.844 nan 8.150 nan 0.000 0.480 291 I N -3.162 117.361 120.570 -0.077 0.000 3.968 291 I HA 0.590 4.760 4.170 -0.000 0.000 0.328 291 I C 0.561 176.658 176.117 -0.033 0.000 1.290 291 I CA 0.406 61.680 61.300 -0.043 0.000 1.163 291 I CB 0.499 38.479 38.000 -0.032 0.000 1.024 291 I HN 0.449 nan 8.210 nan 0.000 0.413 292 G N 1.276 110.050 108.800 -0.044 0.000 2.356 292 G HA2 0.332 4.292 3.960 -0.000 0.000 0.300 292 G HA3 0.332 4.292 3.960 -0.000 0.000 0.300 292 G C -1.576 173.318 174.900 -0.009 0.000 1.331 292 G CA -1.096 43.987 45.100 -0.028 0.000 0.905 292 G HN 0.225 nan 8.290 nan 0.000 0.587 293 R N -0.225 120.282 120.500 0.012 0.000 2.725 293 R HA 0.543 4.883 4.340 -0.000 0.000 0.277 293 R C -1.684 174.651 176.300 0.059 0.000 0.987 293 R CA -0.986 55.141 56.100 0.044 0.000 0.901 293 R CB 2.300 32.629 30.300 0.050 0.000 1.207 293 R HN 0.471 nan 8.270 nan 0.000 0.463 294 D N 1.385 121.833 120.400 0.081 0.000 2.217 294 D HA 0.244 4.884 4.640 -0.000 0.000 0.243 294 D C -0.348 176.003 176.300 0.085 0.000 1.054 294 D CA -0.346 53.701 54.000 0.079 0.000 0.838 294 D CB 1.952 42.805 40.800 0.088 0.000 1.162 294 D HN 0.592 nan 8.370 nan 0.000 0.472 295 A N 1.752 124.615 122.820 0.072 0.000 2.548 295 A HA 0.026 4.346 4.320 -0.000 0.000 0.247 295 A C 0.569 178.203 177.584 0.084 0.000 1.067 295 A CA -0.110 51.971 52.037 0.073 0.000 0.757 295 A CB -0.100 18.934 19.000 0.057 0.000 0.996 295 A HN 0.721 nan 8.150 nan 0.000 0.504 296 C N 3.664 123.021 119.300 0.094 0.000 2.756 296 C HA 0.324 4.784 4.460 -0.000 0.000 0.504 296 C C 1.699 176.745 174.990 0.093 0.000 1.028 296 C CA 0.374 59.456 59.018 0.107 0.000 1.167 296 C CB -2.223 25.586 27.740 0.116 0.000 1.444 296 C HN 0.917 nan 8.230 nan 0.000 0.577 297 T N -2.600 112.004 114.554 0.084 0.000 3.004 297 T HA 0.101 4.451 4.350 -0.000 0.000 0.266 297 T C 1.663 176.407 174.700 0.072 0.000 0.986 297 T CA -0.194 61.949 62.100 0.072 0.000 0.902 297 T CB 0.124 69.021 68.868 0.047 0.000 1.118 297 T HN 0.517 nan 8.240 nan 0.000 0.522 298 R N 2.062 122.610 120.500 0.079 0.000 2.055 298 R HA 0.175 4.515 4.340 -0.000 0.000 0.226 298 R C 0.970 177.322 176.300 0.087 0.000 1.135 298 R CA 0.812 56.954 56.100 0.070 0.000 0.959 298 R CB -0.124 30.212 30.300 0.061 0.000 0.854 298 R HN 0.294 nan 8.270 nan 0.000 0.431 299 K N 1.993 122.467 120.400 0.123 0.000 3.173 299 K HA 0.151 4.471 4.320 -0.000 0.000 0.255 299 K C 0.667 177.408 176.600 0.234 0.000 1.235 299 K CA 0.169 56.543 56.287 0.146 0.000 1.250 299 K CB 0.039 32.616 32.500 0.129 0.000 1.382 299 K HN 0.405 nan 8.250 nan 0.000 0.421 300 I N -3.657 117.032 120.570 0.199 0.000 3.813 300 I HA 0.303 4.473 4.170 -0.000 0.000 0.323 300 I C 0.378 176.645 176.117 0.250 0.000 1.536 300 I CA -0.597 60.847 61.300 0.239 0.000 1.083 300 I CB 0.547 38.667 38.000 0.199 0.000 1.265 300 I HN 0.247 nan 8.210 nan 0.000 0.507 301 G N 2.509 111.410 108.800 0.169 0.000 2.356 301 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.296 301 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.296 301 G C 0.545 175.492 174.900 0.078 0.000 1.022 301 G CA 0.715 45.891 45.100 0.128 0.000 0.961 301 G HN 0.566 nan 8.290 nan 0.000 0.510 302 L N -0.912 120.320 121.223 0.015 0.000 2.265 302 L HA -0.066 4.274 4.340 -0.000 0.000 0.215 302 L C 2.714 179.485 176.870 -0.164 0.000 1.117 302 L CA 1.880 56.635 54.840 -0.142 0.000 0.782 302 L CB -0.244 41.745 42.059 -0.115 0.000 0.914 302 L HN 0.519 nan 8.230 nan 0.000 0.441 303 E N -0.572 119.583 120.200 -0.076 0.000 2.051 303 E HA -0.223 4.127 4.350 -0.000 0.000 0.192 303 E C 2.076 178.634 176.600 -0.070 0.000 0.991 303 E CA 1.677 58.036 56.400 -0.067 0.000 0.799 303 E CB -0.893 28.789 29.700 -0.030 0.000 0.748 303 E HN 0.448 nan 8.360 nan 0.000 0.449 304 T N -1.323 113.207 114.554 -0.041 0.000 2.969 304 T HA -0.121 4.229 4.350 -0.000 0.000 0.271 304 T C 1.635 176.303 174.700 -0.053 0.000 1.127 304 T CA 1.187 63.276 62.100 -0.018 0.000 1.102 304 T CB -0.099 68.793 68.868 0.039 0.000 0.855 304 T HN 0.118 nan 8.240 nan 0.000 0.536 305 V N -0.814 119.004 119.914 -0.159 0.000 3.398 305 V HA 0.589 4.709 4.120 -0.000 0.000 0.298 305 V C 1.416 177.376 176.094 -0.223 0.000 1.496 305 V CA 0.618 62.795 62.300 -0.206 0.000 1.044 305 V CB 0.142 31.714 31.823 -0.419 0.000 0.880 305 V HN 0.804 nan 8.190 nan 0.000 0.443 306 G N 0.498 109.174 108.800 -0.206 0.000 2.144 306 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 306 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 306 G C 0.153 174.926 174.900 -0.211 0.000 0.988 306 G CA 0.116 45.111 45.100 -0.174 0.000 0.659 306 G HN 0.621 nan 8.290 nan 0.000 0.522 307 V N 1.647 121.393 119.914 -0.280 0.000 2.421 307 V HA 0.192 4.312 4.120 -0.000 0.000 0.271 307 V C 1.094 177.086 176.094 -0.170 0.000 1.031 307 V CA 0.411 62.552 62.300 -0.264 0.000 1.032 307 V CB 1.002 32.622 31.823 -0.338 0.000 1.009 307 V HN 0.317 nan 8.190 nan 0.000 0.477 308 K N 6.370 126.684 120.400 -0.143 0.000 2.338 308 K HA 0.414 4.734 4.320 -0.000 0.000 0.290 308 K C -0.163 176.386 176.600 -0.085 0.000 1.069 308 K CA -0.080 56.146 56.287 -0.101 0.000 0.941 308 K CB 0.509 32.955 32.500 -0.091 0.000 1.023 308 K HN 0.753 nan 8.250 nan 0.000 0.477 309 I N 0.597 121.128 120.570 -0.065 0.000 2.740 309 I HA 0.335 4.505 4.170 -0.000 0.000 0.303 309 I C -0.333 175.763 176.117 -0.035 0.000 1.044 309 I CA -0.988 60.283 61.300 -0.048 0.000 1.064 309 I CB 1.865 39.844 38.000 -0.034 0.000 1.249 309 I HN 0.418 nan 8.210 nan 0.000 0.433 310 N N 4.752 123.435 118.700 -0.028 0.000 2.406 310 N HA -0.032 4.708 4.740 -0.000 0.000 0.274 310 N C 0.648 176.150 175.510 -0.014 0.000 1.249 310 N CA 0.321 53.358 53.050 -0.022 0.000 0.951 310 N CB 0.604 39.079 38.487 -0.020 0.000 1.241 310 N HN 0.654 nan 8.380 nan 0.000 0.485 311 E N 2.863 123.055 120.200 -0.014 0.000 2.401 311 E HA -0.174 4.175 4.350 -0.000 0.000 0.199 311 E C 1.118 177.717 176.600 -0.001 0.000 1.023 311 E CA 0.640 57.035 56.400 -0.007 0.000 0.859 311 E CB 0.325 30.019 29.700 -0.009 0.000 0.780 311 E HN 0.666 nan 8.360 nan 0.000 0.523 312 K N 0.296 120.694 120.400 -0.003 0.000 1.995 312 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 312 K C 2.260 178.863 176.600 0.006 0.000 1.041 312 K CA 1.804 58.092 56.287 0.000 0.000 0.942 312 K CB -0.008 32.490 32.500 -0.003 0.000 0.731 312 K HN 0.124 nan 8.250 nan 0.000 0.439 313 T N -3.350 111.206 114.554 0.004 0.000 2.896 313 T HA 0.143 4.493 4.350 -0.000 0.000 0.263 313 T C 1.517 176.227 174.700 0.016 0.000 1.050 313 T CA 1.029 63.135 62.100 0.009 0.000 1.140 313 T CB 0.125 68.996 68.868 0.004 0.000 0.877 313 T HN 0.484 nan 8.240 nan 0.000 0.457 314 G N 1.242 110.049 108.800 0.013 0.000 2.218 314 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.216 314 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.216 314 G C 0.067 174.977 174.900 0.017 0.000 0.994 314 G CA -0.157 44.955 45.100 0.020 0.000 0.637 314 G HN 0.629 nan 8.290 nan 0.000 0.505 315 K N 0.410 120.816 120.400 0.009 0.000 2.202 315 K HA 0.545 4.865 4.320 -0.000 0.000 0.264 315 K C 0.159 176.754 176.600 -0.009 0.000 1.010 315 K CA -0.287 56.003 56.287 0.005 0.000 0.940 315 K CB 1.391 33.892 32.500 0.002 0.000 0.983 315 K HN 0.267 nan 8.250 nan 0.000 0.475 316 I N 4.293 124.856 120.570 -0.010 0.000 2.297 316 I HA 0.156 4.326 4.170 -0.000 0.000 0.291 316 I C -2.151 173.941 176.117 -0.042 0.000 1.033 316 I CA -2.414 58.869 61.300 -0.028 0.000 1.253 316 I CB 1.063 39.050 38.000 -0.023 0.000 1.396 316 I HN 0.208 nan 8.210 nan 0.000 0.476 317 P HA 0.154 nan 4.420 nan 0.000 0.269 317 P C -0.675 176.581 177.300 -0.073 0.000 1.209 317 P CA -0.030 63.032 63.100 -0.063 0.000 0.776 317 P CB 1.090 32.752 31.700 -0.063 0.000 0.876 318 V N 0.945 120.813 119.914 -0.078 0.000 3.147 318 V HA 0.385 4.505 4.120 -0.000 0.000 0.299 318 V C 0.140 176.190 176.094 -0.074 0.000 1.302 318 V CA -0.411 61.843 62.300 -0.076 0.000 1.015 318 V CB 2.374 34.166 31.823 -0.052 0.000 1.086 318 V HN 0.754 nan 8.190 nan 0.000 0.437 319 T N 0.087 114.605 114.554 -0.059 0.000 2.689 319 T HA 0.145 4.495 4.350 -0.000 0.000 0.308 319 T C 0.880 175.563 174.700 -0.028 0.000 1.021 319 T CA 0.627 62.702 62.100 -0.042 0.000 0.973 319 T CB 0.347 69.199 68.868 -0.027 0.000 1.113 319 T HN 0.891 nan 8.240 nan 0.000 0.522 320 D N -1.097 119.296 120.400 -0.013 0.000 2.378 320 D HA -0.058 4.582 4.640 -0.000 0.000 0.227 320 D C 0.962 177.297 176.300 0.057 0.000 1.012 320 D CA 0.588 54.590 54.000 0.005 0.000 0.905 320 D CB -0.309 40.499 40.800 0.013 0.000 0.895 320 D HN 0.833 nan 8.370 nan 0.000 0.532 321 E N 0.054 120.297 120.200 0.072 0.000 2.569 321 E HA 0.103 4.453 4.350 -0.000 0.000 0.205 321 E C -0.446 176.270 176.600 0.194 0.000 1.006 321 E CA -0.238 56.232 56.400 0.116 0.000 0.985 321 E CB 0.282 30.055 29.700 0.123 0.000 1.060 321 E HN 0.032 nan 8.360 nan 0.000 0.460 322 E N 0.859 121.150 120.200 0.151 0.000 2.791 322 E HA -0.251 4.099 4.350 -0.000 0.000 0.271 322 E C -0.168 176.602 176.600 0.284 0.000 1.044 322 E CA 0.762 57.274 56.400 0.187 0.000 0.814 322 E CB -1.438 28.379 29.700 0.194 0.000 1.400 322 E HN 0.363 nan 8.360 nan 0.000 0.423 323 Q N 0.642 120.505 119.800 0.104 0.000 2.235 323 Q HA 0.434 4.774 4.340 -0.000 0.000 0.250 323 Q C 0.506 176.351 176.000 -0.258 0.000 0.909 323 Q CA 0.122 55.722 55.803 -0.338 0.000 0.910 323 Q CB 0.902 29.422 28.738 -0.364 0.000 1.223 323 Q HN 0.283 nan 8.270 nan 0.000 0.432 324 T N -0.053 114.296 114.554 -0.342 0.000 2.865 324 T HA 0.125 4.475 4.350 -0.000 0.000 0.302 324 T C 1.244 175.799 174.700 -0.241 0.000 1.078 324 T CA -0.063 61.892 62.100 -0.243 0.000 0.942 324 T CB 0.183 68.899 68.868 -0.253 0.000 1.387 324 T HN 0.805 nan 8.240 nan 0.000 0.557 325 N N -0.135 118.444 118.700 -0.202 0.000 2.244 325 N HA -0.074 4.666 4.740 -0.000 0.000 0.183 325 N C 0.366 175.755 175.510 -0.201 0.000 1.016 325 N CA 0.524 53.472 53.050 -0.171 0.000 0.866 325 N CB -0.588 37.816 38.487 -0.139 0.000 0.980 325 N HN 0.377 nan 8.380 nan 0.000 0.430 326 V N 3.348 123.093 119.914 -0.282 0.000 2.356 326 V HA 0.134 4.254 4.120 -0.000 0.000 0.258 326 V C -1.310 174.520 176.094 -0.439 0.000 1.065 326 V CA -1.190 60.901 62.300 -0.349 0.000 0.935 326 V CB 0.971 32.499 31.823 -0.492 0.000 1.061 326 V HN -0.007 nan 8.190 nan 0.000 0.484 327 P HA -0.239 nan 4.420 nan 0.000 0.219 327 P C 1.095 178.263 177.300 -0.220 0.000 1.158 327 P CA 1.912 64.889 63.100 -0.206 0.000 0.895 327 P CB -0.085 31.611 31.700 -0.008 0.000 0.792 328 Y N -2.504 117.736 120.300 -0.100 0.000 2.470 328 Y HA 0.422 4.972 4.550 -0.000 0.000 0.284 328 Y C 0.354 176.276 175.900 0.037 0.000 1.188 328 Y CA -0.886 57.226 58.100 0.020 0.000 1.269 328 Y CB -0.790 37.699 38.460 0.048 0.000 1.094 328 Y HN -0.136 nan 8.280 nan 0.000 0.518 329 I N 1.363 121.553 120.570 -0.634 0.000 2.418 329 I HA 0.321 4.491 4.170 -0.000 0.000 0.287 329 I C -1.281 174.649 176.117 -0.312 0.000 1.008 329 I CA -0.920 60.165 61.300 -0.360 0.000 1.104 329 I CB 1.178 38.843 38.000 -0.557 0.000 1.264 329 I HN -0.048 nan 8.210 nan 0.000 0.438 330 Y N 3.935 124.227 120.300 -0.014 0.000 2.587 330 Y HA 0.808 5.357 4.550 -0.000 0.000 0.337 330 Y C 0.205 176.118 175.900 0.022 0.000 1.065 330 Y CA -0.765 57.329 58.100 -0.009 0.000 1.126 330 Y CB 2.202 40.665 38.460 0.005 0.000 1.279 330 Y HN 0.595 nan 8.280 nan 0.000 0.489 331 A N 2.646 125.582 122.820 0.192 0.000 2.515 331 A HA 0.871 5.191 4.320 -0.000 0.000 0.298 331 A C -1.346 176.309 177.584 0.119 0.000 1.059 331 A CA -0.641 51.473 52.037 0.129 0.000 0.698 331 A CB 1.295 20.338 19.000 0.072 0.000 1.289 331 A HN 0.718 nan 8.150 nan 0.000 0.404 332 I N -1.362 119.271 120.570 0.105 0.000 3.191 332 I HA 0.943 5.113 4.170 -0.000 0.000 0.313 332 I C 0.248 176.423 176.117 0.096 0.000 1.193 332 I CA -0.272 61.093 61.300 0.108 0.000 0.968 332 I CB 1.860 39.921 38.000 0.101 0.000 1.262 332 I HN 2.058 nan 8.210 nan 0.000 0.456 333 G N 2.895 111.763 108.800 0.113 0.000 2.582 333 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.222 333 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.222 333 G C -0.171 174.789 174.900 0.101 0.000 1.311 333 G CA 0.330 45.489 45.100 0.099 0.000 0.915 333 G HN 0.812 nan 8.290 nan 0.000 0.528 334 D N -0.231 120.226 120.400 0.095 0.000 2.170 334 D HA -0.149 4.491 4.640 -0.000 0.000 0.193 334 D C 2.650 178.996 176.300 0.076 0.000 1.004 334 D CA 1.573 55.628 54.000 0.093 0.000 0.860 334 D CB -0.086 40.772 40.800 0.095 0.000 0.931 334 D HN 0.407 nan 8.370 nan 0.000 0.448 335 I N 0.674 121.287 120.570 0.072 0.000 2.300 335 I HA -0.217 3.953 4.170 -0.000 0.000 0.252 335 I C 1.203 177.344 176.117 0.041 0.000 1.119 335 I CA 0.617 61.952 61.300 0.058 0.000 1.384 335 I CB -1.243 36.794 38.000 0.061 0.000 1.062 335 I HN 0.078 nan 8.210 nan 0.000 0.426 336 L N 0.878 122.126 121.223 0.043 0.000 2.482 336 L HA -0.020 4.319 4.340 -0.000 0.000 0.273 336 L C 0.910 177.776 176.870 -0.006 0.000 1.228 336 L CA 0.265 55.112 54.840 0.011 0.000 0.827 336 L CB 0.120 42.182 42.059 0.005 0.000 1.099 336 L HN 0.201 nan 8.230 nan 0.000 0.494 337 E N 1.918 122.097 120.200 -0.036 0.000 2.134 337 E HA 0.080 4.430 4.350 -0.000 0.000 0.278 337 E C -1.071 175.492 176.600 -0.063 0.000 0.959 337 E CA -0.598 55.779 56.400 -0.038 0.000 0.783 337 E CB 0.671 30.347 29.700 -0.040 0.000 1.095 337 E HN 0.529 nan 8.360 nan 0.000 0.399 338 D N 3.406 123.780 120.400 -0.044 0.000 2.746 338 D HA -0.151 4.489 4.640 -0.000 0.000 0.241 338 D C -0.425 175.825 176.300 -0.084 0.000 1.140 338 D CA 0.859 54.829 54.000 -0.051 0.000 0.707 338 D CB -0.383 40.383 40.800 -0.057 0.000 1.034 338 D HN 0.432 nan 8.370 nan 0.000 0.423 339 K N -1.103 119.272 120.400 -0.042 0.000 1.815 339 K HA 0.679 4.999 4.320 -0.000 0.000 0.292 339 K C 0.024 176.710 176.600 0.144 0.000 0.932 339 K CA -0.353 55.926 56.287 -0.014 0.000 0.802 339 K CB 0.654 33.105 32.500 -0.082 0.000 3.215 339 K HN -0.036 nan 8.250 nan 0.000 1.129 340 V N 1.945 122.013 119.914 0.257 0.000 2.525 340 V HA 0.332 4.452 4.120 -0.000 0.000 0.299 340 V C -0.684 175.502 176.094 0.153 0.000 1.034 340 V CA -0.765 61.639 62.300 0.173 0.000 0.863 340 V CB 1.522 33.435 31.823 0.150 0.000 0.999 340 V HN 0.499 nan 8.190 nan 0.000 0.423 341 E N 5.281 125.560 120.200 0.132 0.000 2.110 341 E HA 0.459 4.809 4.350 -0.000 0.000 0.300 341 E C -0.961 175.730 176.600 0.151 0.000 1.278 341 E CA 0.037 56.521 56.400 0.139 0.000 1.365 341 E CB 0.209 29.995 29.700 0.143 0.000 1.283 341 E HN 0.505 nan 8.360 nan 0.000 0.490 342 L N 0.114 121.405 121.223 0.115 0.000 2.422 342 L HA 0.243 4.583 4.340 -0.000 0.000 0.264 342 L C 1.350 178.257 176.870 0.062 0.000 0.984 342 L CA -0.629 54.265 54.840 0.091 0.000 0.819 342 L CB 2.027 44.124 42.059 0.064 0.000 1.330 342 L HN 0.128 nan 8.230 nan 0.000 0.410 343 T N 1.149 115.738 114.554 0.058 0.000 2.620 343 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 343 T C -1.064 173.647 174.700 0.018 0.000 1.044 343 T CA 2.037 64.160 62.100 0.038 0.000 1.161 343 T CB -0.746 68.142 68.868 0.034 0.000 0.862 343 T HN 0.507 nan 8.240 nan 0.000 0.438 344 P HA -0.021 nan 4.420 nan 0.000 0.216 344 P C 1.621 178.899 177.300 -0.035 0.000 1.150 344 P CA 0.582 63.675 63.100 -0.010 0.000 0.837 344 P CB -0.200 31.492 31.700 -0.013 0.000 0.786 345 V N 0.247 120.138 119.914 -0.039 0.000 2.307 345 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 345 V C 2.499 178.561 176.094 -0.053 0.000 1.045 345 V CA 2.209 64.454 62.300 -0.092 0.000 1.024 345 V CB -1.778 30.009 31.823 -0.059 0.000 0.651 345 V HN 0.103 nan 8.190 nan 0.000 0.449 346 A N 0.195 123.020 122.820 0.009 0.000 1.873 346 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 346 A C 2.204 179.791 177.584 0.005 0.000 1.193 346 A CA 2.337 54.392 52.037 0.029 0.000 0.629 346 A CB -0.677 18.345 19.000 0.037 0.000 0.826 346 A HN 0.498 nan 8.150 nan 0.000 0.447 347 I N -0.913 119.654 120.570 -0.006 0.000 2.163 347 I HA -0.320 3.850 4.170 -0.000 0.000 0.243 347 I C 2.831 178.937 176.117 -0.019 0.000 1.085 347 I CA 2.011 63.306 61.300 -0.009 0.000 1.347 347 I CB -0.405 37.593 38.000 -0.004 0.000 1.044 347 I HN 0.482 nan 8.210 nan 0.000 0.408 348 Q N 1.260 121.034 119.800 -0.044 0.000 2.061 348 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 348 Q C 2.147 178.113 176.000 -0.056 0.000 0.984 348 Q CA 2.463 58.228 55.803 -0.064 0.000 0.846 348 Q CB -0.336 28.331 28.738 -0.118 0.000 0.902 348 Q HN 0.488 nan 8.270 nan 0.000 0.421 349 A N -0.051 122.737 122.820 -0.055 0.000 1.845 349 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 349 A C 2.355 179.942 177.584 0.004 0.000 1.195 349 A CA 1.843 53.880 52.037 -0.000 0.000 0.616 349 A CB -1.691 17.353 19.000 0.074 0.000 0.832 349 A HN 0.579 nan 8.150 nan 0.000 0.443 350 G N -0.715 108.090 108.800 0.008 0.000 2.529 350 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.219 350 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.219 350 G C 1.784 176.683 174.900 -0.003 0.000 1.177 350 G CA 1.306 46.408 45.100 0.003 0.000 0.773 350 G HN 0.555 nan 8.290 nan 0.000 0.573 351 R N -0.146 120.356 120.500 0.004 0.000 2.082 351 R HA 0.001 4.341 4.340 -0.000 0.000 0.234 351 R C 2.776 179.077 176.300 0.002 0.000 1.136 351 R CA 1.519 57.631 56.100 0.020 0.000 0.935 351 R CB -0.486 29.825 30.300 0.019 0.000 0.842 351 R HN 0.410 nan 8.270 nan 0.000 0.430 352 L N 0.842 122.054 121.223 -0.018 0.000 2.042 352 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 352 L C 2.590 179.414 176.870 -0.077 0.000 1.076 352 L CA 0.881 55.699 54.840 -0.036 0.000 0.749 352 L CB -0.639 41.401 42.059 -0.031 0.000 0.893 352 L HN 0.301 nan 8.230 nan 0.000 0.432 353 L N 0.488 121.658 121.223 -0.089 0.000 1.956 353 L HA -0.240 4.100 4.340 -0.000 0.000 0.216 353 L C 2.697 179.413 176.870 -0.257 0.000 1.073 353 L CA 2.272 57.003 54.840 -0.181 0.000 0.762 353 L CB -0.918 41.029 42.059 -0.186 0.000 0.889 353 L HN 0.167 nan 8.230 nan 0.000 0.433 354 A N -1.264 121.453 122.820 -0.171 0.000 1.927 354 A HA -0.341 3.979 4.320 -0.000 0.000 0.220 354 A C 2.314 179.746 177.584 -0.253 0.000 1.185 354 A CA 2.266 54.221 52.037 -0.137 0.000 0.639 354 A CB -0.822 18.227 19.000 0.083 0.000 0.820 354 A HN 0.736 nan 8.150 nan 0.000 0.451 355 Q N -1.171 118.509 119.800 -0.200 0.000 2.079 355 Q HA -0.142 4.198 4.340 -0.000 0.000 0.200 355 Q C 2.447 178.281 176.000 -0.276 0.000 0.974 355 Q CA 1.242 56.883 55.803 -0.269 0.000 0.840 355 Q CB -0.092 28.588 28.738 -0.097 0.000 0.898 355 Q HN 0.651 nan 8.270 nan 0.000 0.430 356 R N -0.089 120.270 120.500 -0.235 0.000 2.081 356 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 356 R C 2.289 178.414 176.300 -0.291 0.000 1.131 356 R CA 1.062 57.034 56.100 -0.213 0.000 0.960 356 R CB -0.261 29.936 30.300 -0.171 0.000 0.856 356 R HN 0.244 nan 8.270 nan 0.000 0.436 357 L N -0.810 120.125 121.223 -0.479 0.000 1.950 357 L HA -0.159 4.180 4.340 -0.000 0.000 0.210 357 L C 1.755 178.300 176.870 -0.543 0.000 1.079 357 L CA 1.278 55.724 54.840 -0.656 0.000 0.754 357 L CB -0.664 40.629 42.059 -1.276 0.000 0.889 357 L HN 0.148 nan 8.230 nan 0.000 0.433 358 Y N -0.397 119.763 120.300 -0.234 0.000 2.519 358 Y HA 0.262 4.812 4.550 -0.000 0.000 0.311 358 Y C 1.301 176.946 175.900 -0.426 0.000 1.207 358 Y CA 0.265 58.201 58.100 -0.273 0.000 1.289 358 Y CB -0.622 37.683 38.460 -0.259 0.000 1.059 358 Y HN 0.185 nan 8.280 nan 0.000 0.507 359 A N -1.464 121.169 122.820 -0.311 0.000 2.733 359 A HA 0.535 4.855 4.320 -0.000 0.000 0.232 359 A C 1.658 179.179 177.584 -0.105 0.000 1.251 359 A CA 0.221 52.107 52.037 -0.251 0.000 1.015 359 A CB -0.420 18.280 19.000 -0.500 0.000 1.291 359 A HN 0.461 nan 8.150 nan 0.000 0.595 360 G N 0.010 108.747 108.800 -0.106 0.000 2.155 360 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.257 360 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.257 360 G C 0.443 175.311 174.900 -0.053 0.000 0.983 360 G CA 0.670 45.734 45.100 -0.060 0.000 0.676 360 G HN 0.899 nan 8.290 nan 0.000 0.528 361 S N -0.200 115.454 115.700 -0.077 0.000 2.579 361 S HA 0.524 4.994 4.470 -0.000 0.000 0.275 361 S C 1.368 175.938 174.600 -0.050 0.000 1.345 361 S CA 0.856 59.024 58.200 -0.052 0.000 1.031 361 S CB 0.752 63.916 63.200 -0.060 0.000 0.892 361 S HN 1.079 nan 8.310 nan 0.000 0.529 362 T N -0.445 114.091 114.554 -0.029 0.000 3.339 362 T HA 0.323 4.673 4.350 -0.000 0.000 0.292 362 T C -0.356 174.336 174.700 -0.013 0.000 1.012 362 T CA -0.362 61.726 62.100 -0.021 0.000 0.937 362 T CB -0.208 68.654 68.868 -0.011 0.000 1.164 362 T HN 0.223 nan 8.240 nan 0.000 0.509 363 V N 2.945 122.849 119.914 -0.017 0.000 2.383 363 V HA 0.392 4.512 4.120 -0.000 0.000 0.275 363 V C 0.086 176.177 176.094 -0.005 0.000 1.036 363 V CA -0.772 61.522 62.300 -0.009 0.000 0.889 363 V CB 1.071 32.888 31.823 -0.011 0.000 0.985 363 V HN 0.454 nan 8.190 nan 0.000 0.459 364 K N 3.253 123.660 120.400 0.012 0.000 2.098 364 K HA 0.484 4.803 4.320 -0.000 0.000 0.258 364 K C -0.214 176.409 176.600 0.038 0.000 0.973 364 K CA -0.602 55.706 56.287 0.034 0.000 0.898 364 K CB 1.435 33.968 32.500 0.055 0.000 1.057 364 K HN 0.630 nan 8.250 nan 0.000 0.447 365 C N 2.114 121.453 119.300 0.066 0.000 2.632 365 C HA 0.060 4.520 4.460 -0.000 0.000 0.415 365 C C 0.016 175.030 174.990 0.041 0.000 1.332 365 C CA -0.049 58.965 59.018 -0.008 0.000 1.874 365 C CB -0.898 26.808 27.740 -0.055 0.000 2.596 365 C HN 0.803 nan 8.230 nan 0.000 0.590 366 D N 3.917 124.284 120.400 -0.055 0.000 2.396 366 D HA 0.248 4.888 4.640 -0.000 0.000 0.225 366 D C -0.208 176.060 176.300 -0.053 0.000 1.121 366 D CA -0.254 53.758 54.000 0.020 0.000 0.853 366 D CB 0.221 41.022 40.800 0.002 0.000 1.043 366 D HN 0.639 nan 8.370 nan 0.000 0.500 367 Y N 1.601 121.905 120.300 0.006 0.000 2.471 367 Y HA 0.227 4.777 4.550 -0.000 0.000 0.286 367 Y C 0.615 176.520 175.900 0.009 0.000 1.188 367 Y CA -0.221 57.884 58.100 0.008 0.000 1.286 367 Y CB -0.166 38.299 38.460 0.009 0.000 1.072 367 Y HN 0.353 nan 8.280 nan 0.000 0.517 368 E N 0.877 121.146 120.200 0.115 0.000 2.301 368 E HA 0.175 4.525 4.350 -0.000 0.000 0.275 368 E C 0.012 176.639 176.600 0.046 0.000 1.030 368 E CA -0.206 56.242 56.400 0.079 0.000 0.852 368 E CB 0.254 29.995 29.700 0.069 0.000 1.060 368 E HN 0.117 nan 8.360 nan 0.000 0.401 369 N N 1.134 119.863 118.700 0.049 0.000 2.714 369 N HA -0.179 4.561 4.740 -0.000 0.000 0.253 369 N C -1.162 174.353 175.510 0.008 0.000 1.024 369 N CA 0.339 53.407 53.050 0.032 0.000 0.726 369 N CB -1.064 37.438 38.487 0.024 0.000 0.908 369 N HN 0.121 nan 8.380 nan 0.000 0.542 370 V N 2.142 122.064 119.914 0.014 0.000 2.488 370 V HA 0.231 4.351 4.120 -0.000 0.000 0.277 370 V C -1.177 174.914 176.094 -0.006 0.000 1.046 370 V CA -0.941 61.355 62.300 -0.007 0.000 0.986 370 V CB 1.350 33.172 31.823 -0.001 0.000 0.989 370 V HN 0.180 nan 8.190 nan 0.000 0.475 371 P HA 0.299 nan 4.420 nan 0.000 0.274 371 P C -0.429 176.852 177.300 -0.032 0.000 1.237 371 P CA -0.063 63.017 63.100 -0.034 0.000 0.793 371 P CB 1.291 32.959 31.700 -0.053 0.000 0.977 372 T N -0.556 113.963 114.554 -0.059 0.000 2.802 372 T HA 0.495 4.844 4.350 -0.000 0.000 0.311 372 T C -1.622 172.943 174.700 -0.225 0.000 1.405 372 T CA -0.258 61.787 62.100 -0.092 0.000 1.016 372 T CB 1.104 69.961 68.868 -0.018 0.000 1.352 372 T HN 0.392 nan 8.240 nan 0.000 0.498 373 T N 1.876 116.232 114.554 -0.329 0.000 2.991 373 T HA 0.475 4.825 4.350 -0.000 0.000 0.303 373 T C -0.911 173.304 174.700 -0.808 0.000 1.015 373 T CA -0.459 61.288 62.100 -0.588 0.000 1.007 373 T CB 1.468 69.920 68.868 -0.693 0.000 1.034 373 T HN 0.462 nan 8.240 nan 0.000 0.446 374 V N 4.164 123.649 119.914 -0.714 0.000 2.385 374 V HA 0.280 4.400 4.120 -0.000 0.000 0.269 374 V C -0.130 175.644 176.094 -0.532 0.000 1.043 374 V CA -0.425 61.551 62.300 -0.541 0.000 0.906 374 V CB -0.045 31.557 31.823 -0.368 0.000 0.995 374 V HN 0.880 nan 8.190 nan 0.000 0.467 375 F N 3.624 123.479 119.950 -0.159 0.000 2.727 375 F HA 0.125 4.652 4.527 -0.000 0.000 0.349 375 F C 1.634 177.224 175.800 -0.349 0.000 1.172 375 F CA -0.446 57.375 58.000 -0.299 0.000 1.355 375 F CB -0.850 37.894 39.000 -0.427 0.000 1.546 375 F HN 0.544 nan 8.300 nan 0.000 0.596 376 T N -2.455 112.081 114.554 -0.030 0.000 2.726 376 T HA 0.103 4.453 4.350 -0.000 0.000 0.294 376 T C -1.406 173.392 174.700 0.163 0.000 1.013 376 T CA -1.546 60.598 62.100 0.072 0.000 0.996 376 T CB 0.670 69.600 68.868 0.103 0.000 1.016 376 T HN -0.057 nan 8.240 nan 0.000 0.529 377 P HA -0.066 nan 4.420 nan 0.000 0.217 377 P C 0.243 177.743 177.300 0.333 0.000 1.158 377 P CA 0.806 64.075 63.100 0.281 0.000 0.887 377 P CB -0.013 31.753 31.700 0.110 0.000 0.792 378 L N 0.453 121.868 121.223 0.319 0.000 2.277 378 L HA 0.207 4.546 4.340 -0.000 0.000 0.284 378 L C 0.173 177.148 176.870 0.176 0.000 1.028 378 L CA -0.788 54.172 54.840 0.200 0.000 0.835 378 L CB -0.111 41.886 42.059 -0.105 0.000 1.215 378 L HN -0.055 nan 8.230 nan 0.000 0.425 379 E N 3.461 123.781 120.200 0.200 0.000 2.438 379 E HA -0.001 4.349 4.350 -0.000 0.000 0.261 379 E C -1.291 175.390 176.600 0.135 0.000 1.103 379 E CA 0.178 56.643 56.400 0.108 0.000 0.959 379 E CB 0.665 30.432 29.700 0.112 0.000 0.958 379 E HN 0.432 nan 8.360 nan 0.000 0.447 380 Y N 0.309 120.527 120.300 -0.136 0.000 2.329 380 Y HA 0.473 5.023 4.550 -0.000 0.000 0.328 380 Y C -0.510 175.305 175.900 -0.142 0.000 0.992 380 Y CA -1.087 56.950 58.100 -0.105 0.000 1.151 380 Y CB 1.344 39.719 38.460 -0.142 0.000 1.150 380 Y HN 0.515 nan 8.280 nan 0.000 0.450 381 G N 2.883 111.715 108.800 0.052 0.000 2.417 381 G HA2 0.847 4.807 3.960 -0.000 0.000 0.334 381 G HA3 0.847 4.807 3.960 -0.000 0.000 0.334 381 G C -1.632 173.160 174.900 -0.180 0.000 1.150 381 G CA -0.402 44.612 45.100 -0.143 0.000 0.923 381 G HN 1.126 nan 8.290 nan 0.000 0.485 382 A N -0.892 121.820 122.820 -0.180 0.000 2.608 382 A HA 0.723 5.043 4.320 -0.000 0.000 0.292 382 A C -1.244 176.309 177.584 -0.052 0.000 1.066 382 A CA -0.405 51.551 52.037 -0.135 0.000 0.676 382 A CB 1.469 20.324 19.000 -0.241 0.000 1.277 382 A HN 1.936 nan 8.150 nan 0.000 0.413 383 C N 0.579 119.838 119.300 -0.068 0.000 3.046 383 C HA 0.759 5.219 4.460 -0.000 0.000 0.388 383 C C 0.516 175.496 174.990 -0.017 0.000 1.041 383 C CA 1.341 60.344 59.018 -0.024 0.000 1.241 383 C CB 0.614 28.335 27.740 -0.033 0.000 1.638 383 C HN 3.085 nan 8.230 nan 0.000 0.539 384 G N 4.188 113.007 108.800 0.032 0.000 2.615 384 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.218 384 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.218 384 G C -0.742 174.239 174.900 0.135 0.000 1.339 384 G CA -0.319 44.828 45.100 0.078 0.000 0.884 384 G HN 1.321 nan 8.290 nan 0.000 0.559 385 L N 0.156 121.487 121.223 0.181 0.000 2.452 385 L HA 0.512 4.852 4.340 -0.000 0.000 0.267 385 L C 1.419 178.486 176.870 0.328 0.000 1.188 385 L CA -0.165 54.808 54.840 0.221 0.000 0.821 385 L CB 0.811 43.006 42.059 0.226 0.000 1.102 385 L HN 0.645 nan 8.230 nan 0.000 0.470 386 S N -0.141 115.718 115.700 0.265 0.000 2.661 386 S HA 0.021 4.491 4.470 -0.000 0.000 0.265 386 S C 1.062 175.745 174.600 0.139 0.000 1.225 386 S CA -0.388 57.941 58.200 0.215 0.000 0.986 386 S CB 1.181 64.463 63.200 0.137 0.000 1.008 386 S HN 0.775 nan 8.310 nan 0.000 0.565 387 E N 0.344 120.558 120.200 0.023 0.000 2.028 387 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 387 E C 1.519 178.152 176.600 0.055 0.000 0.988 387 E CA 1.588 58.010 56.400 0.036 0.000 0.799 387 E CB -0.144 29.541 29.700 -0.026 0.000 0.755 387 E HN 0.652 nan 8.360 nan 0.000 0.447 388 E N 0.986 121.207 120.200 0.036 0.000 2.021 388 E HA -0.225 4.125 4.350 -0.000 0.000 0.200 388 E C 2.041 178.677 176.600 0.060 0.000 1.015 388 E CA 1.779 58.203 56.400 0.039 0.000 0.824 388 E CB -0.137 29.580 29.700 0.028 0.000 0.762 388 E HN 0.149 nan 8.360 nan 0.000 0.454 389 K N 0.225 120.668 120.400 0.072 0.000 2.211 389 K HA -0.114 4.206 4.320 -0.000 0.000 0.204 389 K C 2.104 178.770 176.600 0.110 0.000 1.047 389 K CA 1.079 57.410 56.287 0.074 0.000 0.935 389 K CB -0.188 32.358 32.500 0.077 0.000 0.728 389 K HN 0.162 nan 8.250 nan 0.000 0.452 390 A N 0.831 123.749 122.820 0.162 0.000 1.873 390 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 390 A C 2.361 180.110 177.584 0.276 0.000 1.186 390 A CA 1.303 53.503 52.037 0.271 0.000 0.616 390 A CB -0.631 18.508 19.000 0.232 0.000 0.823 390 A HN 0.058 nan 8.150 nan 0.000 0.442 391 V N 0.288 120.297 119.914 0.159 0.000 2.255 391 V HA -0.303 3.817 4.120 -0.000 0.000 0.247 391 V C 2.582 178.736 176.094 0.100 0.000 1.051 391 V CA 2.419 64.793 62.300 0.123 0.000 1.018 391 V CB -0.760 31.104 31.823 0.069 0.000 0.641 391 V HN 0.786 nan 8.190 nan 0.000 0.445 392 E N 0.428 120.665 120.200 0.062 0.000 2.049 392 E HA -0.348 4.002 4.350 -0.000 0.000 0.198 392 E C 2.329 178.920 176.600 -0.015 0.000 1.007 392 E CA 2.237 58.650 56.400 0.021 0.000 0.809 392 E CB -0.191 29.513 29.700 0.008 0.000 0.749 392 E HN 0.563 nan 8.360 nan 0.000 0.450 393 K N -1.090 119.275 120.400 -0.058 0.000 2.148 393 K HA -0.122 4.198 4.320 -0.000 0.000 0.204 393 K C 1.288 177.657 176.600 -0.385 0.000 1.050 393 K CA 1.481 57.600 56.287 -0.279 0.000 0.942 393 K CB 0.006 32.226 32.500 -0.466 0.000 0.724 393 K HN 0.151 nan 8.250 nan 0.000 0.446 394 F N -0.649 119.315 119.950 0.024 0.000 2.767 394 F HA 0.333 4.860 4.527 -0.001 0.000 0.323 394 F C 0.294 176.106 175.800 0.020 0.000 1.091 394 F CA 0.055 58.070 58.000 0.024 0.000 1.192 394 F CB 1.644 40.662 39.000 0.030 0.000 1.056 394 F HN 0.065 nan 8.300 nan 0.000 0.571 395 G N 1.673 110.583 108.800 0.183 0.000 3.322 395 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.686 395 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.686 395 G C 0.455 175.415 174.900 0.099 0.000 1.015 395 G CA -0.228 44.939 45.100 0.112 0.000 0.826 395 G HN 0.089 nan 8.290 nan 0.000 0.538 396 E N 1.016 121.255 120.200 0.066 0.000 2.164 396 E HA -0.256 4.094 4.350 -0.000 0.000 0.206 396 E C 1.952 178.573 176.600 0.035 0.000 1.032 396 E CA 2.324 58.751 56.400 0.045 0.000 0.832 396 E CB 0.040 29.756 29.700 0.027 0.000 0.742 396 E HN 0.852 nan 8.360 nan 0.000 0.460 397 E N -0.316 119.905 120.200 0.035 0.000 2.204 397 E HA -0.110 4.240 4.350 -0.000 0.000 0.195 397 E C 1.212 177.828 176.600 0.027 0.000 0.990 397 E CA 1.078 57.493 56.400 0.025 0.000 0.821 397 E CB 0.057 29.772 29.700 0.026 0.000 0.750 397 E HN 0.307 nan 8.360 nan 0.000 0.477 398 N N -0.110 118.617 118.700 0.045 0.000 2.236 398 N HA 0.051 4.791 4.740 -0.000 0.000 0.196 398 N C -0.579 174.934 175.510 0.004 0.000 1.114 398 N CA 0.046 53.115 53.050 0.032 0.000 0.859 398 N CB 1.015 39.538 38.487 0.060 0.000 0.982 398 N HN 0.074 nan 8.380 nan 0.000 0.493 399 I N 1.416 121.995 120.570 0.016 0.000 2.378 399 I HA 0.187 4.357 4.170 -0.000 0.000 0.291 399 I C -0.139 175.974 176.117 -0.006 0.000 0.992 399 I CA -0.970 60.333 61.300 0.004 0.000 1.154 399 I CB 1.726 39.750 38.000 0.040 0.000 1.315 399 I HN -0.170 nan 8.210 nan 0.000 0.448 400 E N 5.078 125.279 120.200 0.002 0.000 2.183 400 E HA 0.622 4.971 4.350 -0.000 0.000 0.271 400 E C -1.453 175.137 176.600 -0.018 0.000 0.919 400 E CA -0.460 55.905 56.400 -0.058 0.000 0.781 400 E CB 1.649 31.320 29.700 -0.048 0.000 1.140 400 E HN 0.248 nan 8.360 nan 0.000 0.402 401 V N 5.611 125.452 119.914 -0.122 0.000 2.350 401 V HA 0.321 4.441 4.120 -0.000 0.000 0.285 401 V C -1.102 174.952 176.094 -0.066 0.000 1.014 401 V CA -0.739 61.544 62.300 -0.028 0.000 0.831 401 V CB 0.410 32.183 31.823 -0.084 0.000 1.000 401 V HN 0.571 nan 8.190 nan 0.000 0.433 402 Y N 4.853 125.185 120.300 0.053 0.000 2.326 402 Y HA 0.655 5.205 4.550 0.000 0.000 0.337 402 Y C 0.603 176.577 175.900 0.123 0.000 1.023 402 Y CA -0.561 57.597 58.100 0.097 0.000 1.143 402 Y CB 0.892 39.384 38.460 0.054 0.000 1.183 402 Y HN 0.855 nan 8.280 nan 0.000 0.485 403 H N -1.020 118.061 119.070 0.018 0.000 2.985 403 H HA 0.882 5.438 4.556 -0.000 0.000 0.360 403 H C -1.301 173.911 175.328 -0.193 0.000 1.221 403 H CA -1.241 54.695 56.048 -0.187 0.000 1.121 403 H CB 2.283 31.906 29.762 -0.232 0.000 1.854 403 H HN 0.486 nan 8.280 nan 0.000 0.551 404 S N 0.618 116.018 115.700 -0.500 0.000 2.543 404 S HA 0.324 4.794 4.470 -0.000 0.000 0.274 404 S C -1.784 172.664 174.600 -0.254 0.000 1.149 404 S CA -0.699 57.302 58.200 -0.331 0.000 0.866 404 S CB 0.898 63.974 63.200 -0.205 0.000 1.111 404 S HN 0.523 nan 8.310 nan 0.000 0.457 405 Y N 2.130 122.406 120.300 -0.041 0.000 2.344 405 Y HA 0.788 5.337 4.550 -0.001 0.000 0.330 405 Y C 0.235 176.253 175.900 0.197 0.000 1.330 405 Y CA -0.060 58.084 58.100 0.073 0.000 1.479 405 Y CB 0.891 39.374 38.460 0.038 0.000 1.428 405 Y HN 0.722 nan 8.280 nan 0.000 0.544 406 F N -2.160 117.882 119.950 0.153 0.000 2.793 406 F HA 0.414 4.940 4.527 -0.000 0.000 0.316 406 F C -2.314 173.597 175.800 0.185 0.000 1.147 406 F CA -1.800 56.256 58.000 0.092 0.000 0.930 406 F CB 0.706 39.677 39.000 -0.048 0.000 1.277 406 F HN 0.385 nan 8.300 nan 0.000 0.443 407 W N 4.319 125.673 121.300 0.089 0.000 2.647 407 W HA 0.763 5.423 4.660 0.000 0.000 0.328 407 W C -3.048 173.406 176.519 -0.109 0.000 1.018 407 W CA -3.192 54.120 57.345 -0.055 0.000 1.245 407 W CB 1.750 31.239 29.460 0.048 0.000 1.356 407 W HN 0.423 nan 8.180 nan 0.000 0.443 408 P HA -0.070 nan 4.420 nan 0.000 0.263 408 P C 1.047 178.009 177.300 -0.562 0.000 1.195 408 P CA -0.102 62.634 63.100 -0.605 0.000 0.762 408 P CB 0.701 31.621 31.700 -1.300 0.000 0.799 409 L N 4.838 125.864 121.223 -0.329 0.000 2.034 409 L HA -0.274 4.066 4.340 -0.000 0.000 0.217 409 L C 1.699 178.435 176.870 -0.223 0.000 1.077 409 L CA 2.098 56.770 54.840 -0.281 0.000 0.769 409 L CB -1.242 40.719 42.059 -0.164 0.000 0.890 409 L HN 0.339 nan 8.230 nan 0.000 0.435 410 E N -1.281 118.852 120.200 -0.111 0.000 2.284 410 E HA -0.255 4.095 4.350 -0.000 0.000 0.200 410 E C 1.660 178.452 176.600 0.320 0.000 1.008 410 E CA 1.690 58.167 56.400 0.128 0.000 0.829 410 E CB -0.357 29.436 29.700 0.155 0.000 0.744 410 E HN 0.633 nan 8.360 nan 0.000 0.491 411 W N 0.059 121.264 121.300 -0.159 0.000 3.256 411 W HA 0.141 4.801 4.660 -0.001 0.000 0.269 411 W C 1.889 178.276 176.519 -0.220 0.000 1.310 411 W CA 0.928 58.215 57.345 -0.096 0.000 1.673 411 W CB -1.055 28.422 29.460 0.028 0.000 1.115 411 W HN 0.138 nan 8.180 nan 0.000 0.686 412 T N -2.345 112.003 114.554 -0.342 0.000 2.812 412 T HA -0.117 4.232 4.350 -0.000 0.000 0.264 412 T C 1.838 176.498 174.700 -0.066 0.000 1.042 412 T CA 0.911 62.736 62.100 -0.458 0.000 1.140 412 T CB -0.466 68.049 68.868 -0.589 0.000 0.870 412 T HN -0.097 nan 8.240 nan 0.000 0.445 413 I N 2.489 123.018 120.570 -0.069 0.000 2.179 413 I HA -0.036 4.134 4.170 -0.000 0.000 0.242 413 I C -0.607 175.523 176.117 0.021 0.000 1.088 413 I CA 1.228 62.448 61.300 -0.133 0.000 1.357 413 I CB -1.861 35.799 38.000 -0.567 0.000 1.051 413 I HN 0.245 nan 8.210 nan 0.000 0.409 414 P HA -0.053 nan 4.420 nan 0.000 0.237 414 P C 0.464 177.875 177.300 0.186 0.000 1.178 414 P CA 0.524 63.739 63.100 0.191 0.000 0.766 414 P CB -0.007 31.832 31.700 0.232 0.000 0.876 415 S N 0.140 115.984 115.700 0.240 0.000 3.527 415 S HA -0.190 4.280 4.470 -0.000 0.000 0.409 415 S C 0.033 174.829 174.600 0.327 0.000 0.900 415 S CA 0.450 58.844 58.200 0.324 0.000 1.320 415 S CB -1.521 61.800 63.200 0.202 0.000 0.915 415 S HN 0.503 nan 8.310 nan 0.000 0.575 416 R N 0.717 121.498 120.500 0.468 0.000 2.707 416 R HA 0.654 4.994 4.340 -0.000 0.000 0.272 416 R C -0.770 175.809 176.300 0.466 0.000 1.011 416 R CA -0.424 55.873 56.100 0.328 0.000 0.893 416 R CB 0.489 30.880 30.300 0.151 0.000 1.233 416 R HN 0.090 nan 8.270 nan 0.000 0.464 417 D N 0.597 121.144 120.400 0.245 0.000 2.697 417 D HA -0.194 4.446 4.640 -0.000 0.000 0.235 417 D C -0.818 175.590 176.300 0.180 0.000 1.167 417 D CA 0.961 55.111 54.000 0.252 0.000 0.656 417 D CB -0.720 40.219 40.800 0.232 0.000 1.025 417 D HN 0.602 nan 8.370 nan 0.000 0.419 418 N N 1.322 119.826 118.700 -0.327 0.000 2.513 418 N HA -0.006 4.734 4.740 -0.000 0.000 0.268 418 N C 0.292 175.551 175.510 -0.418 0.000 1.180 418 N CA 0.121 52.540 53.050 -1.052 0.000 0.948 418 N CB 0.284 38.015 38.487 -1.261 0.000 1.083 418 N HN 0.063 nan 8.380 nan 0.000 0.455 419 N N 1.557 120.087 118.700 -0.284 0.000 2.696 419 N HA -0.177 4.563 4.740 -0.000 0.000 0.256 419 N C -0.101 175.504 175.510 0.157 0.000 1.031 419 N CA 0.566 53.601 53.050 -0.026 0.000 0.730 419 N CB -0.222 38.128 38.487 -0.229 0.000 0.894 419 N HN 0.610 nan 8.380 nan 0.000 0.544 420 K N -1.191 119.299 120.400 0.150 0.000 2.344 420 K HA 0.257 4.577 4.320 -0.000 0.000 0.200 420 K C 0.591 177.191 176.600 0.000 0.000 1.132 420 K CA 0.355 56.718 56.287 0.128 0.000 0.935 420 K CB -0.025 32.547 32.500 0.120 0.000 1.089 420 K HN 0.329 nan 8.250 nan 0.000 0.496 421 C N 2.372 121.571 119.300 -0.168 0.000 2.642 421 C HA 0.219 4.679 4.460 -0.000 0.000 0.420 421 C C 0.349 174.969 174.990 -0.617 0.000 1.349 421 C CA -0.376 58.301 59.018 -0.569 0.000 1.821 421 C CB -1.411 25.556 27.740 -1.289 0.000 2.637 421 C HN 0.367 nan 8.230 nan 0.000 0.605 422 Y N 0.917 120.913 120.300 -0.506 0.000 2.534 422 Y HA 0.649 5.199 4.550 -0.000 0.000 0.345 422 Y C -0.391 175.526 175.900 0.029 0.000 1.031 422 Y CA -0.485 57.410 58.100 -0.343 0.000 1.022 422 Y CB 1.256 39.421 38.460 -0.491 0.000 1.292 422 Y HN 0.835 nan 8.280 nan 0.000 0.459 423 A N 4.924 127.461 122.820 -0.471 0.000 2.449 423 A HA 0.853 5.173 4.320 -0.000 0.000 0.302 423 A C -1.802 175.467 177.584 -0.525 0.000 1.048 423 A CA -0.891 50.931 52.037 -0.359 0.000 0.708 423 A CB 1.404 19.952 19.000 -0.754 0.000 1.274 423 A HN 0.702 nan 8.150 nan 0.000 0.410 424 K N 1.233 121.560 120.400 -0.120 0.000 2.557 424 K HA 0.734 5.054 4.320 -0.000 0.000 0.261 424 K C -1.206 175.461 176.600 0.112 0.000 0.932 424 K CA -0.608 55.675 56.287 -0.008 0.000 0.829 424 K CB 1.567 34.094 32.500 0.045 0.000 1.358 424 K HN 0.785 nan 8.250 nan 0.000 0.430 425 I N -0.978 119.685 120.570 0.156 0.000 2.740 425 I HA 0.607 4.777 4.170 -0.000 0.000 0.303 425 I C -1.030 175.211 176.117 0.206 0.000 1.044 425 I CA -1.490 59.905 61.300 0.158 0.000 1.064 425 I CB 1.466 39.542 38.000 0.127 0.000 1.249 425 I HN 0.433 nan 8.210 nan 0.000 0.433 426 I N 3.854 124.537 120.570 0.188 0.000 2.378 426 I HA 0.448 4.618 4.170 -0.000 0.000 0.291 426 I C -0.583 175.603 176.117 0.116 0.000 0.992 426 I CA -0.159 61.239 61.300 0.162 0.000 1.154 426 I CB 1.542 39.642 38.000 0.167 0.000 1.315 426 I HN 0.686 nan 8.210 nan 0.000 0.448 427 C N 4.118 123.489 119.300 0.118 0.000 2.493 427 C HA 0.497 4.957 4.460 -0.000 0.000 0.326 427 C C 0.283 175.241 174.990 -0.054 0.000 1.200 427 C CA -0.818 58.232 59.018 0.053 0.000 1.739 427 C CB 1.414 29.248 27.740 0.156 0.000 2.300 427 C HN 0.741 nan 8.230 nan 0.000 0.500 428 N N 0.964 119.562 118.700 -0.170 0.000 2.558 428 N HA 0.171 4.911 4.740 -0.000 0.000 0.233 428 N C 0.958 176.378 175.510 -0.150 0.000 1.038 428 N CA 0.098 52.964 53.050 -0.307 0.000 0.934 428 N CB 0.840 38.941 38.487 -0.643 0.000 1.175 428 N HN 0.647 nan 8.380 nan 0.000 0.512 429 T N 2.269 116.779 114.554 -0.074 0.000 2.778 429 T HA -0.104 4.246 4.350 -0.000 0.000 0.269 429 T C 1.313 176.001 174.700 -0.021 0.000 1.050 429 T CA 1.242 63.330 62.100 -0.020 0.000 1.137 429 T CB 0.056 68.926 68.868 0.002 0.000 0.860 429 T HN 0.402 nan 8.240 nan 0.000 0.468 430 K N 1.137 121.518 120.400 -0.032 0.000 2.439 430 K HA 0.052 4.372 4.320 -0.000 0.000 0.197 430 K C 0.585 177.180 176.600 -0.007 0.000 1.041 430 K CA 0.583 56.870 56.287 0.001 0.000 0.970 430 K CB -0.077 32.447 32.500 0.040 0.000 0.773 430 K HN 0.271 nan 8.250 nan 0.000 0.479 431 D N 0.545 120.918 120.400 -0.044 0.000 2.795 431 D HA 0.129 4.768 4.640 -0.000 0.000 0.335 431 D C -1.053 175.229 176.300 -0.030 0.000 1.262 431 D CA -0.343 53.638 54.000 -0.032 0.000 0.885 431 D CB -0.649 40.124 40.800 -0.044 0.000 1.047 431 D HN -0.018 nan 8.370 nan 0.000 0.500 432 N N 1.966 120.658 118.700 -0.014 0.000 2.716 432 N HA -0.265 4.475 4.740 -0.000 0.000 0.250 432 N C -0.791 174.711 175.510 -0.013 0.000 1.033 432 N CA 1.038 54.084 53.050 -0.008 0.000 0.727 432 N CB -1.171 37.313 38.487 -0.006 0.000 0.950 432 N HN 0.521 nan 8.380 nan 0.000 0.541 433 E N -3.431 116.761 120.200 -0.014 0.000 2.228 433 E HA -0.357 3.993 4.350 -0.000 0.000 0.213 433 E C 0.096 176.677 176.600 -0.032 0.000 1.282 433 E CA 0.514 56.910 56.400 -0.007 0.000 0.707 433 E CB -0.844 28.874 29.700 0.030 0.000 1.150 433 E HN 0.516 nan 8.360 nan 0.000 0.362 434 R N 0.598 121.063 120.500 -0.058 0.000 2.640 434 R HA 0.113 4.453 4.340 -0.000 0.000 0.270 434 R C -0.335 175.937 176.300 -0.047 0.000 1.024 434 R CA 0.104 56.172 56.100 -0.053 0.000 1.085 434 R CB 0.758 31.017 30.300 -0.070 0.000 0.963 434 R HN 0.153 nan 8.270 nan 0.000 0.426 435 V N 7.096 126.999 119.914 -0.019 0.000 2.356 435 V HA 0.045 4.165 4.120 -0.000 0.000 0.258 435 V C 1.069 177.175 176.094 0.020 0.000 1.065 435 V CA 0.063 62.368 62.300 0.008 0.000 0.935 435 V CB 0.772 32.607 31.823 0.020 0.000 1.061 435 V HN 0.802 nan 8.190 nan 0.000 0.484 436 V N 1.928 121.857 119.914 0.025 0.000 3.590 436 V HA 0.573 4.693 4.120 -0.000 0.000 0.265 436 V C 0.832 176.996 176.094 0.115 0.000 1.239 436 V CA 0.787 63.125 62.300 0.063 0.000 1.117 436 V CB 0.021 31.869 31.823 0.041 0.000 0.818 436 V HN 0.754 nan 8.190 nan 0.000 0.451 437 G N -0.256 108.620 108.800 0.126 0.000 2.719 437 G HA2 0.595 4.555 3.960 -0.000 0.000 0.298 437 G HA3 0.595 4.555 3.960 -0.000 0.000 0.298 437 G C -1.990 172.975 174.900 0.109 0.000 1.411 437 G CA -0.569 44.622 45.100 0.152 0.000 0.991 437 G HN 0.219 nan 8.290 nan 0.000 0.509 438 F N 3.016 122.780 119.950 -0.310 0.000 2.562 438 F HA 0.631 5.158 4.527 -0.000 0.000 0.319 438 F C -0.915 174.508 175.800 -0.629 0.000 1.154 438 F CA -0.720 57.062 58.000 -0.363 0.000 0.931 438 F CB 1.619 40.394 39.000 -0.376 0.000 1.198 438 F HN 0.472 nan 8.300 nan 0.000 0.444 439 H N 5.202 124.008 119.070 -0.441 0.000 2.679 439 H HA 0.676 5.232 4.556 -0.000 0.000 0.360 439 H C -1.378 173.811 175.328 -0.232 0.000 1.105 439 H CA -0.878 55.099 56.048 -0.118 0.000 1.196 439 H CB 2.369 32.220 29.762 0.149 0.000 1.636 439 H HN 0.545 nan 8.280 nan 0.000 0.531 440 V N 5.223 125.218 119.914 0.135 0.000 2.612 440 V HA 0.272 4.392 4.120 -0.000 0.000 0.301 440 V C -1.538 174.763 176.094 0.345 0.000 1.059 440 V CA -0.734 61.714 62.300 0.247 0.000 0.886 440 V CB 1.886 33.876 31.823 0.278 0.000 1.007 440 V HN 0.501 nan 8.190 nan 0.000 0.426 441 L N 7.732 129.107 121.223 0.254 0.000 2.280 441 L HA 1.071 5.410 4.340 -0.000 0.000 0.287 441 L C 0.108 177.046 176.870 0.115 0.000 1.023 441 L CA 1.202 56.127 54.840 0.140 0.000 0.819 441 L CB 0.915 42.957 42.059 -0.028 0.000 1.212 441 L HN 1.041 nan 8.230 nan 0.000 0.420 442 G N 4.484 113.380 108.800 0.160 0.000 2.317 442 G HA2 0.276 4.236 3.960 -0.000 0.000 0.293 442 G HA3 0.276 4.236 3.960 -0.000 0.000 0.293 442 G C -3.401 171.641 174.900 0.236 0.000 1.287 442 G CA -0.555 44.635 45.100 0.151 0.000 0.850 442 G HN 0.488 nan 8.290 nan 0.000 0.515 443 P HA 0.215 nan 4.420 nan 0.000 0.274 443 P C -0.171 177.269 177.300 0.233 0.000 1.231 443 P CA 0.109 63.379 63.100 0.284 0.000 0.790 443 P CB 0.670 32.555 31.700 0.309 0.000 0.951 444 N N -0.119 118.723 118.700 0.237 0.000 2.708 444 N HA -0.234 4.506 4.740 -0.000 0.000 0.249 444 N C 1.238 176.871 175.510 0.205 0.000 1.097 444 N CA 1.108 54.283 53.050 0.208 0.000 0.710 444 N CB -1.796 36.786 38.487 0.159 0.000 1.032 444 N HN 0.600 nan 8.380 nan 0.000 0.551 445 A N -0.018 122.926 122.820 0.207 0.000 1.948 445 A HA -0.073 4.247 4.320 -0.000 0.000 0.220 445 A C 2.336 180.002 177.584 0.137 0.000 1.177 445 A CA 2.333 54.481 52.037 0.186 0.000 0.636 445 A CB -0.833 18.254 19.000 0.144 0.000 0.815 445 A HN 0.533 nan 8.150 nan 0.000 0.449 446 G N -0.531 108.336 108.800 0.111 0.000 2.404 446 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.215 446 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.215 446 G C 1.360 176.325 174.900 0.108 0.000 1.174 446 G CA 0.920 46.078 45.100 0.097 0.000 0.780 446 G HN 0.515 nan 8.290 nan 0.000 0.537 447 E N 0.612 120.889 120.200 0.129 0.000 2.077 447 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 447 E C 2.866 179.522 176.600 0.093 0.000 0.989 447 E CA 0.944 57.399 56.400 0.092 0.000 0.800 447 E CB -0.717 29.040 29.700 0.096 0.000 0.746 447 E HN 0.338 nan 8.360 nan 0.000 0.452 448 V N 1.422 121.432 119.914 0.161 0.000 2.261 448 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 448 V C 2.427 178.658 176.094 0.228 0.000 1.047 448 V CA 2.234 64.678 62.300 0.240 0.000 1.015 448 V CB -1.004 31.039 31.823 0.367 0.000 0.642 448 V HN 0.265 nan 8.190 nan 0.000 0.446 449 T N -0.814 113.855 114.554 0.192 0.000 2.788 449 T HA -0.257 4.093 4.350 -0.000 0.000 0.268 449 T C 1.916 176.563 174.700 -0.089 0.000 1.044 449 T CA 1.700 63.837 62.100 0.061 0.000 1.139 449 T CB -0.276 68.661 68.868 0.115 0.000 0.867 449 T HN 0.432 nan 8.240 nan 0.000 0.454 450 Q N 1.255 121.025 119.800 -0.051 0.000 2.082 450 Q HA -0.142 4.198 4.340 -0.000 0.000 0.211 450 Q C 2.368 178.269 176.000 -0.164 0.000 1.002 450 Q CA 2.437 58.186 55.803 -0.089 0.000 0.868 450 Q CB -1.108 27.596 28.738 -0.056 0.000 0.931 450 Q HN 0.529 nan 8.270 nan 0.000 0.414 451 G N -1.478 107.183 108.800 -0.231 0.000 2.408 451 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 451 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 451 G C 1.046 175.679 174.900 -0.444 0.000 1.150 451 G CA 0.687 45.580 45.100 -0.345 0.000 0.776 451 G HN 0.405 nan 8.290 nan 0.000 0.542 452 F N 1.815 121.496 119.950 -0.449 0.000 2.269 452 F HA 0.090 4.617 4.527 0.000 0.000 0.301 452 F C 2.928 178.450 175.800 -0.463 0.000 1.082 452 F CA 0.610 58.246 58.000 -0.607 0.000 1.360 452 F CB -0.229 37.987 39.000 -1.307 0.000 1.041 452 F HN 0.239 nan 8.300 nan 0.000 0.512 453 A N 0.215 122.891 122.820 -0.240 0.000 1.877 453 A HA -0.101 4.218 4.320 -0.000 0.000 0.216 453 A C 2.431 179.937 177.584 -0.130 0.000 1.186 453 A CA 1.758 53.698 52.037 -0.162 0.000 0.620 453 A CB -1.293 17.630 19.000 -0.129 0.000 0.822 453 A HN 0.286 nan 8.150 nan 0.000 0.443 454 A N -0.496 122.237 122.820 -0.146 0.000 2.070 454 A HA 0.225 4.545 4.320 -0.000 0.000 0.220 454 A C 2.349 179.865 177.584 -0.114 0.000 1.159 454 A CA 1.818 53.783 52.037 -0.120 0.000 0.656 454 A CB -0.723 18.199 19.000 -0.129 0.000 0.800 454 A HN 0.969 nan 8.150 nan 0.000 0.453 455 A N -0.024 122.713 122.820 -0.137 0.000 1.897 455 A HA 0.054 4.373 4.320 -0.000 0.000 0.215 455 A C 2.029 179.577 177.584 -0.060 0.000 1.181 455 A CA 1.230 53.207 52.037 -0.100 0.000 0.620 455 A CB -0.489 18.456 19.000 -0.091 0.000 0.821 455 A HN 0.448 nan 8.150 nan 0.000 0.443 456 L N -0.777 120.410 121.223 -0.060 0.000 2.191 456 L HA -0.114 4.226 4.340 -0.000 0.000 0.212 456 L C 2.045 178.900 176.870 -0.025 0.000 1.103 456 L CA 0.982 55.803 54.840 -0.032 0.000 0.769 456 L CB -0.605 41.437 42.059 -0.027 0.000 0.908 456 L HN 0.240 nan 8.230 nan 0.000 0.438 457 K N -0.144 120.233 120.400 -0.038 0.000 2.504 457 K HA -0.035 4.285 4.320 -0.000 0.000 0.195 457 K C 1.581 178.167 176.600 -0.025 0.000 1.036 457 K CA 0.613 56.883 56.287 -0.028 0.000 0.984 457 K CB -0.200 32.278 32.500 -0.038 0.000 0.788 457 K HN 0.389 nan 8.250 nan 0.000 0.488 458 C N -0.520 118.762 119.300 -0.031 0.000 3.038 458 C HA 0.277 4.736 4.460 -0.000 0.000 0.279 458 C C 1.219 176.198 174.990 -0.018 0.000 1.276 458 C CA -0.002 58.999 59.018 -0.027 0.000 1.697 458 C CB -0.362 27.355 27.740 -0.039 0.000 2.032 458 C HN 0.617 nan 8.230 nan 0.000 0.636 459 G N 1.327 110.120 108.800 -0.012 0.000 2.149 459 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.235 459 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.235 459 G C -0.029 174.865 174.900 -0.010 0.000 1.018 459 G CA 0.131 45.227 45.100 -0.006 0.000 0.728 459 G HN 0.497 nan 8.290 nan 0.000 0.508 460 L N 1.113 122.329 121.223 -0.012 0.000 2.653 460 L HA 0.465 4.804 4.340 -0.000 0.000 0.288 460 L C 0.748 177.612 176.870 -0.011 0.000 1.243 460 L CA 1.640 56.474 54.840 -0.009 0.000 0.906 460 L CB 0.559 42.619 42.059 0.002 0.000 1.154 460 L HN 0.247 nan 8.230 nan 0.000 0.498 461 T N 3.264 117.809 114.554 -0.015 0.000 2.912 461 T HA 0.268 4.618 4.350 -0.000 0.000 0.288 461 T C 0.750 175.425 174.700 -0.041 0.000 1.030 461 T CA -0.536 61.548 62.100 -0.025 0.000 1.020 461 T CB 1.794 70.649 68.868 -0.021 0.000 1.056 461 T HN 0.739 nan 8.240 nan 0.000 0.480 462 K N 2.436 122.794 120.400 -0.070 0.000 2.103 462 K HA -0.030 4.290 4.320 -0.000 0.000 0.207 462 K C 2.008 178.548 176.600 -0.099 0.000 1.048 462 K CA 1.817 58.022 56.287 -0.136 0.000 0.930 462 K CB -0.060 32.298 32.500 -0.236 0.000 0.716 462 K HN 0.500 nan 8.250 nan 0.000 0.444 463 K N 0.264 120.629 120.400 -0.059 0.000 2.026 463 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 463 K C 2.130 178.713 176.600 -0.027 0.000 1.048 463 K CA 1.837 58.102 56.287 -0.036 0.000 0.929 463 K CB -0.067 32.421 32.500 -0.021 0.000 0.713 463 K HN 0.268 nan 8.250 nan 0.000 0.439 464 Q N 0.246 120.033 119.800 -0.022 0.000 2.124 464 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 464 Q C 2.110 178.107 176.000 -0.005 0.000 0.977 464 Q CA 1.255 57.050 55.803 -0.014 0.000 0.850 464 Q CB -0.165 28.565 28.738 -0.013 0.000 0.901 464 Q HN 0.260 nan 8.270 nan 0.000 0.429 465 L N 1.329 122.549 121.223 -0.005 0.000 2.017 465 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 465 L C 1.210 178.089 176.870 0.015 0.000 1.073 465 L CA 2.024 56.879 54.840 0.025 0.000 0.745 465 L CB -0.541 41.532 42.059 0.022 0.000 0.894 465 L HN 0.042 nan 8.230 nan 0.000 0.432 466 D N -0.867 119.520 120.400 -0.021 0.000 2.218 466 D HA -0.136 4.504 4.640 -0.000 0.000 0.204 466 D C 2.286 178.581 176.300 -0.008 0.000 0.976 466 D CA 1.304 55.291 54.000 -0.021 0.000 0.853 466 D CB -0.044 40.732 40.800 -0.040 0.000 0.939 466 D HN 0.587 nan 8.370 nan 0.000 0.481 467 S N -1.269 114.427 115.700 -0.006 0.000 2.558 467 S HA 0.033 4.503 4.470 -0.000 0.000 0.217 467 S C 0.880 175.480 174.600 -0.001 0.000 0.975 467 S CA -0.199 57.998 58.200 -0.005 0.000 0.912 467 S CB -0.093 63.102 63.200 -0.008 0.000 0.776 467 S HN -0.064 nan 8.310 nan 0.000 0.526 468 T N 4.184 118.744 114.554 0.009 0.000 2.910 468 T HA 0.431 4.781 4.350 -0.000 0.000 0.293 468 T C 0.062 174.771 174.700 0.016 0.000 1.015 468 T CA -0.436 61.671 62.100 0.012 0.000 1.094 468 T CB 0.578 69.464 68.868 0.029 0.000 0.968 468 T HN 0.151 nan 8.240 nan 0.000 0.521 469 I N 2.143 122.718 120.570 0.008 0.000 2.428 469 I HA 0.378 4.547 4.170 -0.000 0.000 0.296 469 I C 1.245 177.376 176.117 0.023 0.000 0.985 469 I CA -0.649 60.657 61.300 0.010 0.000 1.260 469 I CB 0.671 38.671 38.000 0.001 0.000 1.389 469 I HN 0.717 nan 8.210 nan 0.000 0.484 470 G N 5.656 114.471 108.800 0.026 0.000 2.634 470 G HA2 0.485 4.445 3.960 -0.000 0.000 0.255 470 G HA3 0.485 4.445 3.960 -0.000 0.000 0.255 470 G C -0.226 174.703 174.900 0.048 0.000 1.205 470 G CA -0.556 44.571 45.100 0.046 0.000 0.884 470 G HN 0.532 nan 8.290 nan 0.000 0.549 471 I N 0.546 121.153 120.570 0.063 0.000 2.339 471 I HA 0.198 4.368 4.170 -0.000 0.000 0.290 471 I C -0.511 175.674 176.117 0.112 0.000 0.994 471 I CA -0.629 60.709 61.300 0.064 0.000 1.191 471 I CB 1.513 39.536 38.000 0.038 0.000 1.343 471 I HN 0.461 nan 8.210 nan 0.000 0.458 472 H N 8.056 127.122 119.070 -0.007 0.000 2.469 472 H HA 0.557 5.113 4.556 -0.000 0.000 0.342 472 H C -2.347 172.977 175.328 -0.008 0.000 1.115 472 H CA -1.711 54.331 56.048 -0.010 0.000 1.204 472 H CB 1.615 31.371 29.762 -0.009 0.000 1.492 472 H HN 0.321 nan 8.280 nan 0.000 0.499 473 P HA 0.356 nan 4.420 nan 0.000 0.300 473 P C -1.531 175.671 177.300 -0.162 0.000 1.375 473 P CA -0.517 62.261 63.100 -0.537 0.000 0.864 473 P CB 1.393 32.629 31.700 -0.773 0.000 0.958 474 V N 2.571 122.458 119.914 -0.046 0.000 2.971 474 V HA 0.086 4.206 4.120 -0.000 0.000 0.309 474 V C 1.355 177.437 176.094 -0.020 0.000 1.130 474 V CA -0.551 61.735 62.300 -0.022 0.000 0.964 474 V CB 1.739 33.567 31.823 0.009 0.000 1.029 474 V HN 0.641 nan 8.190 nan 0.000 0.427 475 C N 2.225 121.512 119.300 -0.022 0.000 2.413 475 C HA -0.158 4.302 4.460 -0.000 0.000 0.277 475 C C 2.836 177.727 174.990 -0.165 0.000 1.228 475 C CA 1.593 60.562 59.018 -0.081 0.000 1.731 475 C CB -1.068 26.706 27.740 0.057 0.000 2.042 475 C HN 1.078 nan 8.230 nan 0.000 0.468 476 A N 1.259 124.102 122.820 0.038 0.000 2.214 476 A HA -0.271 4.049 4.320 -0.000 0.000 0.221 476 A C 1.968 179.664 177.584 0.187 0.000 1.167 476 A CA 2.115 54.283 52.037 0.218 0.000 0.670 476 A CB -0.779 18.401 19.000 0.301 0.000 0.797 476 A HN 0.900 nan 8.150 nan 0.000 0.477 477 E N -0.724 119.488 120.200 0.019 0.000 2.358 477 E HA -0.012 4.338 4.350 -0.000 0.000 0.195 477 E C 1.518 178.060 176.600 -0.097 0.000 1.010 477 E CA 0.758 57.175 56.400 0.028 0.000 0.856 477 E CB -0.528 29.193 29.700 0.035 0.000 0.795 477 E HN 0.273 nan 8.360 nan 0.000 0.504 478 V N 0.530 120.237 119.914 -0.345 0.000 2.546 478 V HA -0.240 3.880 4.120 -0.000 0.000 0.254 478 V C 1.316 177.100 176.094 -0.516 0.000 1.076 478 V CA 1.563 63.544 62.300 -0.531 0.000 1.087 478 V CB -0.641 30.588 31.823 -0.990 0.000 0.674 478 V HN 0.293 nan 8.190 nan 0.000 0.470 479 F N 0.982 120.828 119.950 -0.174 0.000 2.661 479 F HA 0.010 4.537 4.527 -0.000 0.000 0.298 479 F C 2.375 178.142 175.800 -0.056 0.000 1.137 479 F CA 1.351 59.265 58.000 -0.143 0.000 1.454 479 F CB -0.760 38.112 39.000 -0.214 0.000 1.103 479 F HN 0.360 nan 8.300 nan 0.000 0.577 480 T N -4.436 110.188 114.554 0.116 0.000 3.081 480 T HA -0.009 4.341 4.350 -0.000 0.000 0.255 480 T C 1.324 176.033 174.700 0.014 0.000 1.113 480 T CA 1.025 63.177 62.100 0.088 0.000 1.082 480 T CB -0.542 68.375 68.868 0.083 0.000 0.939 480 T HN 0.240 nan 8.240 nan 0.000 0.506 481 T N -0.209 114.330 114.554 -0.025 0.000 3.339 481 T HA 0.442 4.792 4.350 -0.000 0.000 0.292 481 T C -0.021 174.656 174.700 -0.037 0.000 1.012 481 T CA -0.719 61.360 62.100 -0.035 0.000 0.937 481 T CB -0.330 68.511 68.868 -0.046 0.000 1.164 481 T HN 0.012 nan 8.240 nan 0.000 0.509 482 L N 3.689 124.888 121.223 -0.040 0.000 2.500 482 L HA 0.374 4.713 4.340 -0.000 0.000 0.272 482 L C 1.379 178.307 176.870 0.097 0.000 1.149 482 L CA 0.330 55.173 54.840 0.004 0.000 0.897 482 L CB 0.551 42.615 42.059 0.010 0.000 1.178 482 L HN 0.618 nan 8.230 nan 0.000 0.473 483 S N 1.547 117.322 115.700 0.125 0.000 2.589 483 S HA 0.180 4.650 4.470 -0.000 0.000 0.235 483 S C 0.341 175.043 174.600 0.169 0.000 1.051 483 S CA -0.341 57.958 58.200 0.166 0.000 0.978 483 S CB 0.441 63.687 63.200 0.077 0.000 0.929 483 S HN 0.164 nan 8.310 nan 0.000 0.523 484 V N 4.308 124.294 119.914 0.121 0.000 2.364 484 V HA 0.497 4.617 4.120 -0.000 0.000 0.272 484 V C 0.696 176.832 176.094 0.070 0.000 1.036 484 V CA -0.201 62.138 62.300 0.064 0.000 0.880 484 V CB 0.673 32.504 31.823 0.014 0.000 0.991 484 V HN 0.645 nan 8.190 nan 0.000 0.460 485 T N 1.941 116.456 114.554 -0.065 0.000 2.874 485 T HA 0.338 4.688 4.350 -0.000 0.000 0.281 485 T C 0.909 175.607 174.700 -0.003 0.000 0.994 485 T CA -0.537 61.450 62.100 -0.188 0.000 1.015 485 T CB 1.367 69.978 68.868 -0.428 0.000 1.028 485 T HN 0.534 nan 8.240 nan 0.000 0.523 486 K N -0.202 120.149 120.400 -0.081 0.000 2.167 486 K HA 0.004 4.324 4.320 -0.000 0.000 0.203 486 K C 2.503 179.072 176.600 -0.052 0.000 1.052 486 K CA 0.630 56.865 56.287 -0.087 0.000 0.956 486 K CB -0.074 32.263 32.500 -0.272 0.000 0.735 486 K HN 0.645 nan 8.250 nan 0.000 0.451 487 R N 1.125 121.575 120.500 -0.084 0.000 2.073 487 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 487 R C 2.232 178.510 176.300 -0.037 0.000 1.134 487 R CA 2.211 58.274 56.100 -0.062 0.000 0.952 487 R CB -0.597 29.655 30.300 -0.079 0.000 0.850 487 R HN 0.124 nan 8.270 nan 0.000 0.433 488 S N -1.394 114.282 115.700 -0.040 0.000 2.369 488 S HA -0.088 4.382 4.470 -0.000 0.000 0.225 488 S C 1.677 176.279 174.600 0.002 0.000 1.043 488 S CA 2.099 60.288 58.200 -0.019 0.000 1.074 488 S CB -0.648 62.542 63.200 -0.017 0.000 0.962 488 S HN 0.799 nan 8.310 nan 0.000 0.433 489 G N 0.261 109.074 108.800 0.023 0.000 2.284 489 G HA2 0.103 4.062 3.960 -0.000 0.000 0.201 489 G HA3 0.103 4.062 3.960 -0.000 0.000 0.201 489 G C 0.332 175.259 174.900 0.046 0.000 0.998 489 G CA 0.107 45.226 45.100 0.033 0.000 0.651 489 G HN 1.404 nan 8.290 nan 0.000 0.489 490 A N 0.683 123.528 122.820 0.043 0.000 2.547 490 A HA 0.567 4.887 4.320 -0.000 0.000 0.233 490 A C 0.968 178.581 177.584 0.049 0.000 1.067 490 A CA 1.338 53.396 52.037 0.035 0.000 0.763 490 A CB 0.170 19.185 19.000 0.025 0.000 1.007 490 A HN 1.196 nan 8.150 nan 0.000 0.506 491 S N 0.581 116.296 115.700 0.026 0.000 2.601 491 S HA 0.417 4.887 4.470 -0.000 0.000 0.271 491 S C 0.963 175.563 174.600 -0.000 0.000 1.305 491 S CA -0.246 57.967 58.200 0.021 0.000 1.022 491 S CB 0.807 64.003 63.200 -0.005 0.000 0.940 491 S HN 0.722 nan 8.310 nan 0.000 0.525 492 I N -0.689 119.884 120.570 0.005 0.000 4.009 492 I HA 0.375 4.545 4.170 -0.000 0.000 0.331 492 I C -0.230 175.892 176.117 0.008 0.000 1.462 492 I CA 0.089 61.391 61.300 0.004 0.000 1.117 492 I CB -1.311 36.639 38.000 -0.083 0.000 1.091 492 I HN 0.360 nan 8.210 nan 0.000 0.410 493 L N 0.000 121.158 121.223 -0.109 0.000 2.949 493 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 493 L CA 0.000 54.694 54.840 -0.243 0.000 0.813 493 L CB 0.000 41.898 42.059 -0.268 0.000 0.961 493 L HN 0.000 nan 8.230 nan 0.000 0.502