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 2cfy_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 0.000 174.334 174.600 -0.443 0.000 1.055 10 S CA 0.000 57.994 58.200 -0.344 0.000 1.107 10 S CB 0.000 62.955 63.200 -0.408 0.000 0.593 11 Y N 2.989 123.266 120.300 -0.038 0.000 2.457 11 Y HA 0.461 5.011 4.550 0.000 0.000 0.333 11 Y C 1.073 176.955 175.900 -0.030 0.000 1.119 11 Y CA -0.922 57.173 58.100 -0.009 0.000 1.143 11 Y CB 0.446 38.913 38.460 0.011 0.000 1.230 11 Y HN 0.161 nan 8.280 nan 0.000 0.469 12 D N 0.442 120.943 120.400 0.169 0.000 2.104 12 D HA -0.177 4.463 4.640 0.000 0.000 0.194 12 D C -0.409 175.716 176.300 -0.292 0.000 0.994 12 D CA 2.012 55.989 54.000 -0.039 0.000 0.830 12 D CB -0.069 40.811 40.800 0.134 0.000 0.959 12 D HN 0.433 nan 8.370 nan 0.000 0.452 13 Y N -0.207 120.145 120.300 0.088 0.000 2.570 13 Y HA 0.192 4.742 4.550 0.000 0.000 0.345 13 Y C 1.044 176.930 175.900 -0.024 0.000 1.014 13 Y CA -1.009 57.090 58.100 -0.000 0.000 1.063 13 Y CB 1.671 40.089 38.460 -0.070 0.000 1.272 13 Y HN -0.327 nan 8.280 nan 0.000 0.477 14 D N 0.590 121.058 120.400 0.113 0.000 2.123 14 D HA -0.024 4.616 4.640 0.000 0.000 0.200 14 D C -0.384 175.922 176.300 0.009 0.000 0.976 14 D CA 1.587 55.607 54.000 0.033 0.000 0.831 14 D CB 0.404 41.170 40.800 -0.057 0.000 0.974 14 D HN 0.170 nan 8.370 nan 0.000 0.469 15 L N 0.396 121.615 121.223 -0.007 0.000 2.464 15 L HA 0.413 4.753 4.340 0.000 0.000 0.266 15 L C -1.495 175.264 176.870 -0.185 0.000 0.965 15 L CA -0.452 54.348 54.840 -0.068 0.000 0.833 15 L CB 2.209 44.300 42.059 0.053 0.000 1.296 15 L HN -0.213 nan 8.230 nan 0.000 0.405 16 I N 5.888 126.246 120.570 -0.353 0.000 2.362 16 I HA 0.426 4.596 4.170 0.000 0.000 0.289 16 I C -0.539 175.514 176.117 -0.106 0.000 0.994 16 I CA -0.450 60.654 61.300 -0.327 0.000 1.158 16 I CB 1.480 39.217 38.000 -0.439 0.000 1.315 16 I HN 0.481 nan 8.210 nan 0.000 0.451 17 I N 7.259 127.783 120.570 -0.077 0.000 2.331 17 I HA 0.347 4.517 4.170 0.000 0.000 0.292 17 I C -0.078 176.035 176.117 -0.006 0.000 0.998 17 I CA -0.521 60.779 61.300 0.001 0.000 1.267 17 I CB 1.221 39.218 38.000 -0.005 0.000 1.386 17 I HN 0.361 nan 8.210 nan 0.000 0.476 18 I N 6.119 126.703 120.570 0.023 0.000 2.291 18 I HA 0.495 4.665 4.170 0.000 0.000 0.290 18 I C 0.564 176.673 176.117 -0.014 0.000 1.050 18 I CA -0.185 61.095 61.300 -0.033 0.000 1.245 18 I CB 0.600 38.553 38.000 -0.079 0.000 1.405 18 I HN 0.857 nan 8.210 nan 0.000 0.478 19 G N 3.675 112.470 108.800 -0.007 0.000 3.233 19 G HA2 0.011 3.971 3.960 0.000 0.000 0.686 19 G HA3 0.011 3.971 3.960 0.000 0.000 0.686 19 G C -0.088 174.822 174.900 0.016 0.000 1.153 19 G CA -0.545 44.566 45.100 0.019 0.000 0.853 19 G HN 0.938 nan 8.290 nan 0.000 0.582 20 G N 0.804 109.614 108.800 0.017 0.000 4.294 20 G HA2 0.688 4.648 3.960 0.000 0.000 0.301 20 G HA3 0.688 4.648 3.960 0.000 0.000 0.301 20 G C 0.823 175.659 174.900 -0.106 0.000 1.321 20 G CA 0.896 45.967 45.100 -0.049 0.000 1.190 20 G HN 1.254 nan 8.290 nan 0.000 0.600 21 G N 0.104 108.867 108.800 -0.062 0.000 2.531 21 G HA2 0.383 4.343 3.960 0.000 0.000 0.281 21 G HA3 0.383 4.343 3.960 0.000 0.000 0.281 21 G C 1.252 176.085 174.900 -0.112 0.000 1.382 21 G CA 0.378 45.433 45.100 -0.076 0.000 1.045 21 G HN 0.199 nan 8.290 nan 0.000 0.533 22 S N -0.177 115.479 115.700 -0.074 0.000 2.368 22 S HA -0.187 4.283 4.470 0.000 0.000 0.226 22 S C 2.496 177.087 174.600 -0.016 0.000 1.044 22 S CA 1.828 60.002 58.200 -0.044 0.000 1.062 22 S CB -0.869 62.333 63.200 0.003 0.000 0.931 22 S HN 0.836 nan 8.310 nan 0.000 0.440 23 G N 1.214 110.018 108.800 0.006 0.000 2.433 23 G HA2 -0.003 3.957 3.960 0.000 0.000 0.216 23 G HA3 -0.003 3.957 3.960 0.000 0.000 0.216 23 G C 1.482 176.391 174.900 0.016 0.000 1.186 23 G CA 0.909 46.023 45.100 0.024 0.000 0.779 23 G HN 0.584 nan 8.290 nan 0.000 0.543 24 G N 0.819 109.622 108.800 0.004 0.000 2.446 24 G HA2 -0.160 3.800 3.960 0.000 0.000 0.217 24 G HA3 -0.160 3.800 3.960 0.000 0.000 0.217 24 G C 1.816 176.707 174.900 -0.014 0.000 1.168 24 G CA 0.791 45.891 45.100 0.001 0.000 0.771 24 G HN 0.411 nan 8.290 nan 0.000 0.551 25 L N 0.498 121.694 121.223 -0.045 0.000 2.093 25 L HA 0.009 4.349 4.340 0.000 0.000 0.208 25 L C 3.393 180.272 176.870 0.015 0.000 1.085 25 L CA 0.848 55.664 54.840 -0.040 0.000 0.755 25 L CB -0.407 41.578 42.059 -0.125 0.000 0.904 25 L HN 0.320 nan 8.230 nan 0.000 0.435 26 A N 0.221 123.054 122.820 0.022 0.000 1.902 26 A HA -0.141 4.179 4.320 0.000 0.000 0.217 26 A C 2.547 180.151 177.584 0.034 0.000 1.181 26 A CA 1.655 53.713 52.037 0.035 0.000 0.623 26 A CB -0.593 18.427 19.000 0.033 0.000 0.818 26 A HN 0.384 nan 8.150 nan 0.000 0.443 27 A N -0.078 122.761 122.820 0.032 0.000 1.877 27 A HA 0.167 4.487 4.320 0.000 0.000 0.216 27 A C 2.522 180.138 177.584 0.054 0.000 1.186 27 A CA 2.125 54.188 52.037 0.044 0.000 0.620 27 A CB -1.065 17.957 19.000 0.037 0.000 0.822 27 A HN 1.024 nan 8.150 nan 0.000 0.443 28 A N -0.182 122.656 122.820 0.030 0.000 1.858 28 A HA -0.187 4.133 4.320 0.000 0.000 0.216 28 A C 2.106 179.699 177.584 0.015 0.000 1.190 28 A CA 2.079 54.127 52.037 0.018 0.000 0.617 28 A CB -0.528 18.468 19.000 -0.005 0.000 0.827 28 A HN 0.500 nan 8.150 nan 0.000 0.443 29 K N -0.722 119.684 120.400 0.011 0.000 2.044 29 K HA -0.207 4.113 4.320 0.000 0.000 0.210 29 K C 2.154 178.744 176.600 -0.016 0.000 1.049 29 K CA 1.831 58.114 56.287 -0.007 0.000 0.927 29 K CB -0.123 32.377 32.500 -0.001 0.000 0.713 29 K HN 0.518 nan 8.250 nan 0.000 0.443 30 E N 0.270 120.485 120.200 0.024 0.000 2.072 30 E HA -0.082 4.268 4.350 0.000 0.000 0.191 30 E C 1.725 178.403 176.600 0.130 0.000 0.985 30 E CA 1.294 57.728 56.400 0.056 0.000 0.801 30 E CB -0.126 29.649 29.700 0.124 0.000 0.750 30 E HN 0.310 nan 8.360 nan 0.000 0.452 31 A N 0.767 123.688 122.820 0.169 0.000 1.902 31 A HA -0.079 4.241 4.320 0.000 0.000 0.217 31 A C 2.424 180.037 177.584 0.049 0.000 1.181 31 A CA 2.008 54.181 52.037 0.226 0.000 0.623 31 A CB -1.019 18.092 19.000 0.186 0.000 0.818 31 A HN 0.361 nan 8.150 nan 0.000 0.443 32 A N -1.065 121.744 122.820 -0.019 0.000 1.972 32 A HA -0.202 4.119 4.320 0.000 0.000 0.219 32 A C 2.076 179.586 177.584 -0.123 0.000 1.169 32 A CA 1.997 53.995 52.037 -0.065 0.000 0.635 32 A CB -0.511 18.457 19.000 -0.053 0.000 0.810 32 A HN 0.559 nan 8.150 nan 0.000 0.446 33 Q N -1.152 118.518 119.800 -0.217 0.000 2.248 33 Q HA -0.166 4.174 4.340 0.000 0.000 0.208 33 Q C 0.376 176.061 176.000 -0.525 0.000 0.984 33 Q CA 1.660 57.212 55.803 -0.418 0.000 0.875 33 Q CB -0.432 27.913 28.738 -0.655 0.000 0.910 33 Q HN 0.820 nan 8.270 nan 0.000 0.433 34 Y N -1.590 118.696 120.300 -0.024 0.000 2.683 34 Y HA 0.374 4.924 4.550 0.000 0.000 0.297 34 Y C 1.210 177.066 175.900 -0.073 0.000 1.147 34 Y CA -0.121 57.964 58.100 -0.027 0.000 1.274 34 Y CB 0.458 38.931 38.460 0.021 0.000 1.143 34 Y HN 0.131 nan 8.280 nan 0.000 0.527 35 G N 0.297 109.087 108.800 -0.016 0.000 2.153 35 G HA2 -0.268 3.692 3.960 0.000 0.000 0.252 35 G HA3 -0.268 3.692 3.960 0.000 0.000 0.252 35 G C 0.171 175.031 174.900 -0.067 0.000 0.994 35 G CA -0.206 44.874 45.100 -0.034 0.000 0.698 35 G HN 0.136 nan 8.290 nan 0.000 0.521 36 K N 0.327 120.652 120.400 -0.126 0.000 2.174 36 K HA 0.331 4.651 4.320 0.000 0.000 0.275 36 K C 0.555 177.090 176.600 -0.108 0.000 1.015 36 K CA -0.549 55.614 56.287 -0.207 0.000 0.933 36 K CB 0.973 33.153 32.500 -0.533 0.000 1.025 36 K HN 0.104 nan 8.250 nan 0.000 0.463 37 K N 2.451 122.817 120.400 -0.056 0.000 2.338 37 K HA 0.193 4.513 4.320 0.000 0.000 0.290 37 K C -0.554 176.129 176.600 0.138 0.000 1.069 37 K CA -0.219 56.101 56.287 0.056 0.000 0.941 37 K CB 0.474 33.002 32.500 0.046 0.000 1.023 37 K HN 0.236 nan 8.250 nan 0.000 0.477 38 V N 4.556 124.535 119.914 0.109 0.000 2.735 38 V HA 0.483 4.603 4.120 0.000 0.000 0.310 38 V C -0.336 175.663 176.094 -0.158 0.000 1.061 38 V CA -1.022 61.272 62.300 -0.011 0.000 0.913 38 V CB 1.993 33.794 31.823 -0.036 0.000 1.005 38 V HN 0.757 nan 8.190 nan 0.000 0.428 39 M N 4.107 123.457 119.600 -0.416 0.000 2.395 39 M HA 0.755 5.235 4.480 0.000 0.000 0.307 39 M C -1.907 174.209 176.300 -0.306 0.000 1.091 39 M CA -0.461 54.510 55.300 -0.549 0.000 0.919 39 M CB 2.046 33.930 32.600 -1.193 0.000 1.662 39 M HN 0.444 nan 8.290 nan 0.000 0.440 40 V N 6.070 125.888 119.914 -0.160 0.000 2.417 40 V HA 0.457 4.577 4.120 0.000 0.000 0.291 40 V C -0.521 175.569 176.094 -0.006 0.000 1.024 40 V CA -0.640 61.630 62.300 -0.049 0.000 0.861 40 V CB 1.659 33.498 31.823 0.027 0.000 0.985 40 V HN 0.792 nan 8.190 nan 0.000 0.436 41 L N 4.500 125.702 121.223 -0.036 0.000 2.265 41 L HA 0.583 4.923 4.340 0.000 0.000 0.289 41 L C -0.694 176.224 176.870 0.081 0.000 1.033 41 L CA -0.164 54.667 54.840 -0.015 0.000 0.814 41 L CB 1.505 43.511 42.059 -0.088 0.000 1.203 41 L HN 0.651 nan 8.230 nan 0.000 0.423 42 D N 2.708 123.233 120.400 0.209 0.000 2.646 42 D HA 0.607 5.247 4.640 0.000 0.000 0.245 42 D C -1.603 174.887 176.300 0.317 0.000 1.099 42 D CA -0.196 53.947 54.000 0.239 0.000 0.849 42 D CB 2.002 42.951 40.800 0.249 0.000 1.448 42 D HN 0.217 nan 8.370 nan 0.000 0.489 43 F N 3.537 123.543 119.950 0.092 0.000 2.605 43 F HA 0.411 4.938 4.527 0.000 0.000 0.320 43 F C -1.754 174.083 175.800 0.061 0.000 1.159 43 F CA -0.719 57.336 58.000 0.092 0.000 0.999 43 F CB 1.552 40.649 39.000 0.161 0.000 1.258 43 F HN 0.154 nan 8.300 nan 0.000 0.464 44 V N 5.024 124.485 119.914 -0.754 0.000 2.288 44 V HA 0.233 4.353 4.120 0.000 0.000 0.266 44 V C 0.186 175.762 176.094 -0.862 0.000 1.048 44 V CA -0.342 61.538 62.300 -0.700 0.000 0.842 44 V CB 0.913 32.151 31.823 -0.976 0.000 1.064 44 V HN 0.836 nan 8.190 nan 0.000 0.472 45 T N 4.867 119.198 114.554 -0.370 0.000 2.928 45 T HA 0.304 4.654 4.350 0.000 0.000 0.305 45 T C -2.110 172.432 174.700 -0.263 0.000 1.035 45 T CA -0.990 61.008 62.100 -0.169 0.000 1.145 45 T CB 0.863 69.768 68.868 0.061 0.000 0.963 45 T HN 0.412 nan 8.240 nan 0.000 0.545 46 P HA 0.281 nan 4.420 nan 0.000 0.274 46 P C 0.222 177.472 177.300 -0.082 0.000 1.246 46 P CA -0.551 62.427 63.100 -0.204 0.000 0.795 46 P CB 0.229 31.854 31.700 -0.125 0.000 1.006 47 T N 2.881 117.423 114.554 -0.020 0.000 2.903 47 T HA 0.049 4.399 4.350 0.000 0.000 0.314 47 T C -1.295 173.425 174.700 0.034 0.000 1.078 47 T CA -0.445 61.702 62.100 0.079 0.000 1.114 47 T CB -0.371 68.592 68.868 0.158 0.000 0.987 47 T HN 0.346 nan 8.240 nan 0.000 0.548 48 P HA -0.075 nan 4.420 nan 0.000 0.217 48 P C 1.171 178.468 177.300 -0.004 0.000 1.151 48 P CA 1.182 64.258 63.100 -0.039 0.000 0.849 48 P CB 0.034 31.663 31.700 -0.118 0.000 0.787 49 L N -3.054 118.195 121.223 0.045 0.000 2.599 49 L HA 0.210 4.550 4.340 0.000 0.000 0.230 49 L C 1.507 178.413 176.870 0.060 0.000 1.141 49 L CA 0.737 55.614 54.840 0.060 0.000 0.877 49 L CB -0.813 41.305 42.059 0.099 0.000 1.009 49 L HN 0.182 nan 8.230 nan 0.000 0.447 50 G N -0.413 108.412 108.800 0.042 0.000 2.179 50 G HA2 -0.229 3.731 3.960 0.000 0.000 0.220 50 G HA3 -0.229 3.731 3.960 0.000 0.000 0.220 50 G C 0.321 175.236 174.900 0.026 0.000 0.990 50 G CA 0.027 45.142 45.100 0.025 0.000 0.646 50 G HN 0.254 nan 8.290 nan 0.000 0.517 51 T N 1.915 116.510 114.554 0.068 0.000 2.834 51 T HA 0.560 4.910 4.350 0.000 0.000 0.298 51 T C 0.653 175.345 174.700 -0.013 0.000 0.966 51 T CA 0.303 62.472 62.100 0.115 0.000 1.141 51 T CB 1.107 70.123 68.868 0.246 0.000 0.905 51 T HN 0.505 nan 8.240 nan 0.000 0.535 52 R N 1.410 121.885 120.500 -0.041 0.000 2.912 52 R HA 0.761 5.101 4.340 0.000 0.000 0.262 52 R C -1.226 175.061 176.300 -0.023 0.000 1.057 52 R CA -1.045 54.861 56.100 -0.322 0.000 0.981 52 R CB 1.955 32.106 30.300 -0.249 0.000 1.201 52 R HN 0.793 nan 8.270 nan 0.000 0.484 53 W N -1.422 119.867 121.300 -0.018 0.000 2.959 53 W HA 0.681 5.342 4.660 0.000 0.000 0.358 53 W C -0.631 175.888 176.519 -0.001 0.000 1.228 53 W CA -1.212 56.137 57.345 0.006 0.000 1.183 53 W CB -0.093 29.382 29.460 0.024 0.000 1.467 53 W HN 0.677 nan 8.180 nan 0.000 0.578 54 G N 0.380 109.368 108.800 0.313 0.000 2.510 54 G HA2 0.466 4.426 3.960 0.000 0.000 0.280 54 G HA3 0.466 4.426 3.960 0.000 0.000 0.280 54 G C -1.053 173.968 174.900 0.202 0.000 1.386 54 G CA -0.958 44.261 45.100 0.199 0.000 1.047 54 G HN 0.752 nan 8.290 nan 0.000 0.527 55 L N -0.366 120.915 121.223 0.097 0.000 2.467 55 L HA 0.466 4.806 4.340 0.000 0.000 0.270 55 L C 1.455 178.273 176.870 -0.088 0.000 1.205 55 L CA 2.102 56.917 54.840 -0.041 0.000 0.828 55 L CB 1.080 42.988 42.059 -0.252 0.000 1.101 55 L HN 1.254 nan 8.230 nan 0.000 0.479 56 G N 0.898 109.541 108.800 -0.260 0.000 2.336 56 G HA2 0.224 4.184 3.960 0.000 0.000 0.194 56 G HA3 0.224 4.184 3.960 0.000 0.000 0.194 56 G C 0.830 175.587 174.900 -0.237 0.000 0.999 56 G CA 0.086 44.900 45.100 -0.477 0.000 0.669 56 G HN 1.878 nan 8.290 nan 0.000 0.482 57 G N -1.105 107.672 108.800 -0.038 0.000 2.632 57 G HA2 0.068 4.028 3.960 0.000 0.000 0.224 57 G HA3 0.068 4.028 3.960 0.000 0.000 0.224 57 G C 0.809 175.719 174.900 0.016 0.000 1.341 57 G CA 0.812 45.939 45.100 0.046 0.000 0.880 57 G HN 1.182 nan 8.290 nan 0.000 0.566 58 T N -0.384 114.184 114.554 0.025 0.000 2.737 58 T HA -0.166 4.184 4.350 0.000 0.000 0.265 58 T C 2.511 177.154 174.700 -0.095 0.000 1.038 58 T CA 2.690 64.766 62.100 -0.040 0.000 1.144 58 T CB -0.686 68.206 68.868 0.041 0.000 0.866 58 T HN 1.158 nan 8.240 nan 0.000 0.434 59 C N 1.293 120.568 119.300 -0.042 0.000 2.388 59 C HA -0.101 4.359 4.460 0.000 0.000 0.277 59 C C 2.742 177.679 174.990 -0.089 0.000 1.210 59 C CA 0.898 59.892 59.018 -0.041 0.000 1.743 59 C CB -1.261 26.477 27.740 -0.003 0.000 2.047 59 C HN 0.371 nan 8.230 nan 0.000 0.458 60 V N 1.856 121.726 119.914 -0.075 0.000 2.295 60 V HA -0.177 3.943 4.120 0.000 0.000 0.246 60 V C 2.354 178.366 176.094 -0.135 0.000 1.049 60 V CA 2.512 64.778 62.300 -0.057 0.000 1.024 60 V CB -0.683 31.145 31.823 0.008 0.000 0.648 60 V HN 0.611 nan 8.190 nan 0.000 0.447 61 N N -1.069 117.495 118.700 -0.227 0.000 2.402 61 N HA 0.046 4.786 4.740 0.000 0.000 0.174 61 N C 0.940 176.176 175.510 -0.456 0.000 1.027 61 N CA 0.935 53.773 53.050 -0.354 0.000 0.891 61 N CB 1.364 39.484 38.487 -0.612 0.000 1.016 61 N HN 0.356 nan 8.380 nan 0.000 0.439 62 V N -0.199 119.439 119.914 -0.460 0.000 3.590 62 V HA 0.329 4.449 4.120 0.000 0.000 0.389 62 V C 0.318 176.346 176.094 -0.110 0.000 1.545 62 V CA 0.045 62.154 62.300 -0.317 0.000 1.448 62 V CB 0.856 32.227 31.823 -0.752 0.000 1.105 62 V HN 0.301 nan 8.190 nan 0.000 0.537 63 G N -1.004 107.655 108.800 -0.236 0.000 3.354 63 G HA2 0.187 4.147 3.960 0.000 0.000 0.174 63 G HA3 0.187 4.147 3.960 0.000 0.000 0.174 63 G C 1.186 175.980 174.900 -0.176 0.000 1.140 63 G CA 0.785 45.829 45.100 -0.093 0.000 0.897 63 G HN 0.136 nan 8.290 nan 0.000 0.685 64 C N 0.980 120.245 119.300 -0.058 0.000 2.376 64 C HA -0.071 4.389 4.460 0.000 0.000 0.275 64 C C 2.767 177.657 174.990 -0.167 0.000 1.200 64 C CA 0.602 59.591 59.018 -0.048 0.000 1.756 64 C CB -1.269 26.476 27.740 0.008 0.000 2.050 64 C HN 0.412 nan 8.230 nan 0.000 0.460 65 I N 2.196 122.660 120.570 -0.176 0.000 2.090 65 I HA -0.089 4.081 4.170 0.000 0.000 0.236 65 I C 0.063 176.006 176.117 -0.290 0.000 1.064 65 I CA 1.762 62.957 61.300 -0.174 0.000 1.324 65 I CB -2.754 35.201 38.000 -0.075 0.000 1.044 65 I HN 0.224 nan 8.210 nan 0.000 0.399 66 P HA -0.165 nan 4.420 nan 0.000 0.219 66 P C 1.620 178.498 177.300 -0.703 0.000 1.150 66 P CA 1.405 64.147 63.100 -0.597 0.000 0.814 66 P CB -0.149 31.055 31.700 -0.826 0.000 0.787 67 K N 1.191 121.145 120.400 -0.744 0.000 2.026 67 K HA -0.178 4.142 4.320 0.000 0.000 0.208 67 K C 2.075 178.542 176.600 -0.221 0.000 1.048 67 K CA 1.678 57.784 56.287 -0.301 0.000 0.929 67 K CB -0.413 32.092 32.500 0.008 0.000 0.713 67 K HN -0.130 nan 8.250 nan 0.000 0.439 68 K N 1.140 121.370 120.400 -0.284 0.000 2.097 68 K HA 0.002 4.322 4.320 0.000 0.000 0.205 68 K C 2.247 178.697 176.600 -0.251 0.000 1.050 68 K CA 0.970 57.059 56.287 -0.331 0.000 0.938 68 K CB -0.268 31.954 32.500 -0.464 0.000 0.718 68 K HN 0.180 nan 8.250 nan 0.000 0.442 69 L N -0.102 120.949 121.223 -0.287 0.000 2.046 69 L HA -0.156 4.184 4.340 0.000 0.000 0.208 69 L C 2.437 179.131 176.870 -0.294 0.000 1.077 69 L CA 1.412 56.089 54.840 -0.272 0.000 0.747 69 L CB -0.325 41.572 42.059 -0.270 0.000 0.896 69 L HN 0.277 nan 8.230 nan 0.000 0.432 70 M N -1.573 117.776 119.600 -0.419 0.000 2.254 70 M HA -0.182 4.298 4.480 0.000 0.000 0.265 70 M C 2.277 178.319 176.300 -0.431 0.000 1.066 70 M CA 1.247 56.188 55.300 -0.599 0.000 1.123 70 M CB -0.618 31.234 32.600 -1.247 0.000 1.388 70 M HN 0.264 nan 8.290 nan 0.000 0.425 71 H N 0.614 119.477 119.070 -0.346 0.000 2.387 71 H HA -0.208 4.348 4.556 0.000 0.000 0.299 71 H C 2.044 177.341 175.328 -0.051 0.000 1.090 71 H CA 2.215 58.237 56.048 -0.043 0.000 1.332 71 H CB -0.032 29.751 29.762 0.035 0.000 1.386 71 H HN 0.300 nan 8.280 nan 0.000 0.516 72 Q N 0.373 120.026 119.800 -0.245 0.000 2.119 72 Q HA -0.015 4.325 4.340 0.000 0.000 0.201 72 Q C 2.387 178.278 176.000 -0.182 0.000 0.972 72 Q CA 1.705 57.360 55.803 -0.245 0.000 0.847 72 Q CB -0.646 27.979 28.738 -0.188 0.000 0.903 72 Q HN 0.547 nan 8.270 nan 0.000 0.433 73 A N 0.532 123.255 122.820 -0.162 0.000 1.908 73 A HA -0.136 4.184 4.320 0.000 0.000 0.218 73 A C 2.323 179.849 177.584 -0.096 0.000 1.181 73 A CA 2.102 54.076 52.037 -0.106 0.000 0.627 73 A CB -1.319 17.621 19.000 -0.101 0.000 0.818 73 A HN 0.560 nan 8.150 nan 0.000 0.445 74 A N -0.403 122.365 122.820 -0.087 0.000 1.877 74 A HA -0.051 4.269 4.320 0.000 0.000 0.216 74 A C 2.195 179.743 177.584 -0.059 0.000 1.186 74 A CA 1.506 53.526 52.037 -0.030 0.000 0.620 74 A CB -0.669 18.389 19.000 0.096 0.000 0.822 74 A HN 0.474 nan 8.150 nan 0.000 0.443 75 L N -0.689 120.448 121.223 -0.144 0.000 2.042 75 L HA -0.210 4.130 4.340 0.000 0.000 0.210 75 L C 2.545 179.376 176.870 -0.065 0.000 1.076 75 L CA 1.215 55.981 54.840 -0.122 0.000 0.749 75 L CB -0.456 41.479 42.059 -0.208 0.000 0.893 75 L HN 0.393 nan 8.230 nan 0.000 0.432 76 L N -0.931 120.247 121.223 -0.075 0.000 2.141 76 L HA -0.104 4.236 4.340 0.000 0.000 0.209 76 L C 2.634 179.487 176.870 -0.028 0.000 1.094 76 L CA 0.994 55.802 54.840 -0.053 0.000 0.763 76 L CB -1.015 41.009 42.059 -0.060 0.000 0.908 76 L HN 0.310 nan 8.230 nan 0.000 0.437 77 G N -0.390 108.399 108.800 -0.019 0.000 2.476 77 G HA2 -0.377 3.583 3.960 0.000 0.000 0.218 77 G HA3 -0.377 3.583 3.960 0.000 0.000 0.218 77 G C 1.509 176.412 174.900 0.005 0.000 1.164 77 G CA 0.986 46.087 45.100 0.002 0.000 0.768 77 G HN 0.320 nan 8.290 nan 0.000 0.560 78 Q N 0.506 120.305 119.800 -0.002 0.000 2.119 78 Q HA 0.201 4.541 4.340 0.000 0.000 0.201 78 Q C 2.661 178.668 176.000 0.013 0.000 0.972 78 Q CA 1.728 57.531 55.803 0.001 0.000 0.847 78 Q CB -0.521 28.209 28.738 -0.013 0.000 0.903 78 Q HN 0.373 nan 8.270 nan 0.000 0.433 79 A N 0.453 123.276 122.820 0.005 0.000 1.908 79 A HA -0.173 4.147 4.320 0.000 0.000 0.218 79 A C 2.062 179.648 177.584 0.003 0.000 1.181 79 A CA 1.543 53.581 52.037 0.003 0.000 0.627 79 A CB -0.877 18.103 19.000 -0.034 0.000 0.818 79 A HN 0.476 nan 8.150 nan 0.000 0.445 80 L N -1.104 120.115 121.223 -0.006 0.000 2.042 80 L HA -0.293 4.047 4.340 0.000 0.000 0.210 80 L C 2.923 179.819 176.870 0.044 0.000 1.076 80 L CA 1.867 56.709 54.840 0.003 0.000 0.749 80 L CB -0.711 41.352 42.059 0.006 0.000 0.893 80 L HN 0.507 nan 8.230 nan 0.000 0.432 81 Q N -0.174 119.654 119.800 0.046 0.000 2.016 81 Q HA -0.204 4.136 4.340 0.000 0.000 0.200 81 Q C 1.927 177.982 176.000 0.092 0.000 0.978 81 Q CA 1.674 57.512 55.803 0.059 0.000 0.833 81 Q CB -0.080 28.680 28.738 0.038 0.000 0.895 81 Q HN 0.431 nan 8.270 nan 0.000 0.427 82 D N 0.107 120.571 120.400 0.107 0.000 2.133 82 D HA -0.173 4.467 4.640 0.000 0.000 0.195 82 D C 2.077 178.565 176.300 0.312 0.000 0.997 82 D CA 1.704 55.822 54.000 0.196 0.000 0.840 82 D CB -0.439 40.490 40.800 0.216 0.000 0.947 82 D HN 0.261 nan 8.370 nan 0.000 0.452 83 S N 0.358 116.207 115.700 0.249 0.000 2.400 83 S HA -0.197 4.274 4.470 0.000 0.000 0.232 83 S C 1.938 176.790 174.600 0.420 0.000 1.025 83 S CA 0.759 59.169 58.200 0.350 0.000 0.993 83 S CB -0.259 63.015 63.200 0.123 0.000 0.808 83 S HN 0.175 nan 8.310 nan 0.000 0.478 84 R N 1.496 122.151 120.500 0.259 0.000 2.094 84 R HA -0.066 4.274 4.340 0.000 0.000 0.239 84 R C 2.283 178.673 176.300 0.149 0.000 1.137 84 R CA 2.106 58.321 56.100 0.191 0.000 0.943 84 R CB -0.606 29.765 30.300 0.119 0.000 0.850 84 R HN 0.636 nan 8.270 nan 0.000 0.433 85 N N -0.958 117.808 118.700 0.109 0.000 2.381 85 N HA -0.136 4.604 4.740 0.000 0.000 0.182 85 N C 0.877 176.350 175.510 -0.063 0.000 1.025 85 N CA 0.623 53.667 53.050 -0.011 0.000 0.888 85 N CB 0.056 38.489 38.487 -0.090 0.000 0.965 85 N HN 0.236 nan 8.380 nan 0.000 0.438 86 Y N -0.410 119.951 120.300 0.102 0.000 2.529 86 Y HA 0.150 4.700 4.550 -0.000 0.000 0.290 86 Y C 1.719 177.601 175.900 -0.031 0.000 1.177 86 Y CA 0.459 58.609 58.100 0.083 0.000 1.305 86 Y CB 0.408 38.980 38.460 0.187 0.000 1.047 86 Y HN 0.093 nan 8.280 nan 0.000 0.522 87 G N -2.164 106.686 108.800 0.083 0.000 2.192 87 G HA2 -0.227 3.733 3.960 0.000 0.000 0.193 87 G HA3 -0.227 3.733 3.960 0.000 0.000 0.193 87 G C -0.326 174.483 174.900 -0.151 0.000 0.999 87 G CA -0.719 44.328 45.100 -0.088 0.000 0.659 87 G HN 0.230 nan 8.290 nan 0.000 0.503 88 W N 2.214 123.559 121.300 0.076 0.000 2.287 88 W HA 0.585 5.245 4.660 0.000 0.000 0.313 88 W C 0.762 177.306 176.519 0.042 0.000 1.267 88 W CA -0.593 56.784 57.345 0.053 0.000 1.201 88 W CB 0.785 30.277 29.460 0.053 0.000 1.196 88 W HN -0.154 nan 8.180 nan 0.000 0.536 89 K N 4.070 124.621 120.400 0.253 0.000 2.180 89 K HA 0.278 4.598 4.320 0.000 0.000 0.250 89 K C -0.660 176.028 176.600 0.147 0.000 1.135 89 K CA -0.315 56.061 56.287 0.149 0.000 1.037 89 K CB 0.124 32.681 32.500 0.095 0.000 1.624 89 K HN 0.218 nan 8.250 nan 0.000 0.382 90 V N 1.467 121.464 119.914 0.139 0.000 2.483 90 V HA 0.188 4.308 4.120 0.000 0.000 0.295 90 V C 0.703 176.841 176.094 0.073 0.000 1.035 90 V CA -0.805 61.556 62.300 0.102 0.000 0.896 90 V CB 1.343 33.224 31.823 0.097 0.000 0.986 90 V HN 0.724 nan 8.190 nan 0.000 0.447 91 E N 1.414 121.648 120.200 0.056 0.000 2.502 91 E HA 0.029 4.379 4.350 0.000 0.000 0.261 91 E C 1.298 177.924 176.600 0.044 0.000 0.974 91 E CA 0.752 57.178 56.400 0.045 0.000 0.936 91 E CB 0.287 30.009 29.700 0.037 0.000 0.926 91 E HN 0.825 nan 8.360 nan 0.000 0.459 92 E N 1.312 121.536 120.200 0.039 0.000 2.097 92 E HA -0.108 4.242 4.350 0.000 0.000 0.196 92 E C 0.592 177.214 176.600 0.037 0.000 1.000 92 E CA 1.852 58.275 56.400 0.038 0.000 0.804 92 E CB -0.087 29.632 29.700 0.031 0.000 0.740 92 E HN 0.789 nan 8.360 nan 0.000 0.454 93 T N 0.180 114.755 114.554 0.035 0.000 2.841 93 T HA 0.574 4.924 4.350 0.000 0.000 0.285 93 T C -0.846 173.878 174.700 0.041 0.000 0.991 93 T CA -0.557 61.566 62.100 0.038 0.000 0.966 93 T CB 1.823 70.712 68.868 0.035 0.000 0.962 93 T HN 0.068 nan 8.240 nan 0.000 0.438 94 V N 3.488 123.430 119.914 0.046 0.000 2.394 94 V HA 0.387 4.507 4.120 0.000 0.000 0.282 94 V C 0.461 176.597 176.094 0.069 0.000 1.031 94 V CA -0.835 61.495 62.300 0.050 0.000 0.881 94 V CB 1.429 33.279 31.823 0.045 0.000 0.982 94 V HN 0.755 nan 8.190 nan 0.000 0.451 95 K N 2.917 123.358 120.400 0.068 0.000 2.126 95 K HA 0.376 4.696 4.320 0.000 0.000 0.257 95 K C -0.279 176.397 176.600 0.128 0.000 1.007 95 K CA -0.673 55.670 56.287 0.093 0.000 0.928 95 K CB 1.190 33.730 32.500 0.068 0.000 1.013 95 K HN 0.840 nan 8.250 nan 0.000 0.473 96 H N 0.802 119.910 119.070 0.063 0.000 2.524 96 H HA 0.318 4.874 4.556 0.000 0.000 0.353 96 H C -1.523 173.866 175.328 0.102 0.000 1.136 96 H CA -0.551 55.541 56.048 0.074 0.000 1.193 96 H CB 1.906 31.723 29.762 0.091 0.000 1.558 96 H HN 0.630 nan 8.280 nan 0.000 0.515 97 D N 4.944 124.990 120.400 -0.589 0.000 2.441 97 D HA -0.017 4.623 4.640 0.000 0.000 0.231 97 D C 0.972 177.110 176.300 -0.270 0.000 1.073 97 D CA -0.576 53.267 54.000 -0.262 0.000 0.850 97 D CB 0.264 40.971 40.800 -0.155 0.000 1.062 97 D HN 0.618 nan 8.370 nan 0.000 0.524 98 W N 4.248 125.505 121.300 -0.071 0.000 2.335 98 W HA -0.195 4.465 4.660 0.000 0.000 0.311 98 W C 0.509 177.044 176.519 0.026 0.000 1.213 98 W CA 1.227 58.621 57.345 0.081 0.000 1.274 98 W CB 0.131 29.672 29.460 0.135 0.000 1.148 98 W HN 0.420 nan 8.180 nan 0.000 0.498 99 D N -0.155 120.361 120.400 0.192 0.000 2.144 99 D HA -0.180 4.460 4.640 0.000 0.000 0.199 99 D C 2.278 178.544 176.300 -0.057 0.000 0.984 99 D CA 1.273 55.326 54.000 0.089 0.000 0.834 99 D CB -0.525 40.362 40.800 0.146 0.000 0.955 99 D HN 0.199 nan 8.370 nan 0.000 0.465 100 R N 0.024 120.474 120.500 -0.083 0.000 2.081 100 R HA -0.064 4.276 4.340 0.000 0.000 0.235 100 R C 2.316 178.524 176.300 -0.153 0.000 1.131 100 R CA 0.756 56.791 56.100 -0.108 0.000 0.960 100 R CB -0.368 29.861 30.300 -0.118 0.000 0.856 100 R HN 0.250 nan 8.270 nan 0.000 0.436 101 M N 0.395 119.861 119.600 -0.223 0.000 2.086 101 M HA -0.180 4.300 4.480 0.000 0.000 0.261 101 M C 1.860 177.998 176.300 -0.271 0.000 1.067 101 M CA 1.579 56.740 55.300 -0.233 0.000 1.116 101 M CB 0.034 32.499 32.600 -0.225 0.000 1.348 101 M HN 0.043 nan 8.290 nan 0.000 0.407 102 I N 0.156 120.507 120.570 -0.365 0.000 2.226 102 I HA -0.233 3.937 4.170 0.000 0.000 0.245 102 I C 2.501 178.541 176.117 -0.129 0.000 1.100 102 I CA 1.500 62.634 61.300 -0.277 0.000 1.374 102 I CB -1.720 36.114 38.000 -0.276 0.000 1.057 102 I HN 0.401 nan 8.210 nan 0.000 0.413 103 E N 1.079 121.220 120.200 -0.099 0.000 2.070 103 E HA -0.249 4.101 4.350 0.000 0.000 0.197 103 E C 2.385 178.953 176.600 -0.054 0.000 1.004 103 E CA 1.549 57.917 56.400 -0.053 0.000 0.805 103 E CB -0.426 29.249 29.700 -0.042 0.000 0.744 103 E HN 0.607 nan 8.360 nan 0.000 0.451 104 A N -0.101 122.673 122.820 -0.077 0.000 1.902 104 A HA -0.078 4.243 4.320 0.000 0.000 0.217 104 A C 2.603 180.156 177.584 -0.051 0.000 1.181 104 A CA 1.772 53.770 52.037 -0.066 0.000 0.623 104 A CB -0.795 18.153 19.000 -0.088 0.000 0.818 104 A HN 0.409 nan 8.150 nan 0.000 0.443 105 V N -0.092 119.772 119.914 -0.083 0.000 2.261 105 V HA -0.247 3.873 4.120 0.000 0.000 0.246 105 V C 2.738 178.824 176.094 -0.013 0.000 1.047 105 V CA 2.035 64.294 62.300 -0.069 0.000 1.015 105 V CB -0.724 31.023 31.823 -0.127 0.000 0.642 105 V HN 0.522 nan 8.190 nan 0.000 0.446 106 Q N -0.202 119.587 119.800 -0.019 0.000 2.170 106 Q HA -0.193 4.147 4.340 0.000 0.000 0.203 106 Q C 2.083 178.092 176.000 0.015 0.000 0.976 106 Q CA 1.632 57.440 55.803 0.008 0.000 0.858 106 Q CB -0.729 28.020 28.738 0.018 0.000 0.907 106 Q HN 0.689 nan 8.270 nan 0.000 0.433 107 N N -0.220 118.486 118.700 0.010 0.000 2.069 107 N HA -0.186 4.554 4.740 0.000 0.000 0.191 107 N C 1.671 177.200 175.510 0.031 0.000 1.031 107 N CA 1.454 54.510 53.050 0.010 0.000 0.852 107 N CB -0.188 38.301 38.487 0.003 0.000 1.018 107 N HN 0.312 nan 8.380 nan 0.000 0.423 108 H N 0.096 119.140 119.070 -0.043 0.000 2.321 108 H HA 0.052 4.608 4.556 0.000 0.000 0.300 108 H C 1.868 177.185 175.328 -0.017 0.000 1.087 108 H CA 1.617 57.642 56.048 -0.039 0.000 1.319 108 H CB -0.253 29.470 29.762 -0.064 0.000 1.379 108 H HN 0.221 nan 8.280 nan 0.000 0.501 109 I N -0.184 120.368 120.570 -0.031 0.000 2.208 109 I HA -0.229 3.941 4.170 0.000 0.000 0.245 109 I C 2.756 178.852 176.117 -0.035 0.000 1.097 109 I CA 1.262 62.526 61.300 -0.059 0.000 1.363 109 I CB -0.662 37.329 38.000 -0.016 0.000 1.051 109 I HN 0.469 nan 8.210 nan 0.000 0.413 110 G N 0.549 109.346 108.800 -0.006 0.000 2.469 110 G HA2 -0.338 3.622 3.960 0.000 0.000 0.219 110 G HA3 -0.338 3.622 3.960 0.000 0.000 0.219 110 G C 1.798 176.721 174.900 0.037 0.000 1.150 110 G CA 1.288 46.402 45.100 0.024 0.000 0.763 110 G HN 0.522 nan 8.290 nan 0.000 0.561 111 S N 0.230 115.912 115.700 -0.030 0.000 2.406 111 S HA 0.085 4.555 4.470 0.000 0.000 0.228 111 S C 2.352 176.960 174.600 0.013 0.000 1.020 111 S CA 0.933 59.142 58.200 0.016 0.000 0.965 111 S CB -0.285 62.884 63.200 -0.051 0.000 0.798 111 S HN 0.308 nan 8.310 nan 0.000 0.488 112 L N 1.607 122.761 121.223 -0.114 0.000 2.072 112 L HA -0.061 4.279 4.340 0.000 0.000 0.205 112 L C 2.553 179.499 176.870 0.126 0.000 1.079 112 L CA 1.529 56.323 54.840 -0.077 0.000 0.752 112 L CB -1.007 41.003 42.059 -0.082 0.000 0.906 112 L HN 0.410 nan 8.230 nan 0.000 0.436 113 N N -0.706 118.089 118.700 0.158 0.000 2.037 113 N HA -0.294 4.446 4.740 0.000 0.000 0.196 113 N C 1.651 177.294 175.510 0.221 0.000 1.034 113 N CA 1.870 55.041 53.050 0.202 0.000 0.861 113 N CB -0.295 38.292 38.487 0.167 0.000 1.039 113 N HN 0.339 nan 8.380 nan 0.000 0.427 114 W N 1.743 123.049 121.300 0.010 0.000 2.409 114 W HA 0.084 4.744 4.660 -0.000 0.000 0.299 114 W C 2.343 178.840 176.519 -0.037 0.000 1.203 114 W CA 1.339 58.681 57.345 -0.005 0.000 1.298 114 W CB -0.778 28.673 29.460 -0.015 0.000 1.127 114 W HN 0.001 nan 8.180 nan 0.000 0.528 115 G N -0.293 108.489 108.800 -0.030 0.000 2.513 115 G HA2 -0.384 3.576 3.960 0.000 0.000 0.219 115 G HA3 -0.384 3.576 3.960 0.000 0.000 0.219 115 G C 1.255 175.945 174.900 -0.350 0.000 1.160 115 G CA 1.507 46.435 45.100 -0.287 0.000 0.767 115 G HN 0.354 nan 8.290 nan 0.000 0.571 116 Y N 0.160 120.357 120.300 -0.172 0.000 2.145 116 Y HA -0.018 4.532 4.550 0.000 0.000 0.286 116 Y C 2.990 178.743 175.900 -0.244 0.000 1.145 116 Y CA 1.507 59.493 58.100 -0.189 0.000 1.148 116 Y CB -0.398 37.961 38.460 -0.169 0.000 0.981 116 Y HN 0.082 nan 8.280 nan 0.000 0.507 117 R N -0.142 120.296 120.500 -0.103 0.000 2.091 117 R HA -0.155 4.185 4.340 0.000 0.000 0.238 117 R C 2.093 178.266 176.300 -0.213 0.000 1.136 117 R CA 1.605 57.611 56.100 -0.158 0.000 0.959 117 R CB -0.554 29.707 30.300 -0.065 0.000 0.856 117 R HN 0.183 nan 8.270 nan 0.000 0.437 118 V N 0.492 120.165 119.914 -0.402 0.000 2.307 118 V HA -0.212 3.908 4.120 0.000 0.000 0.245 118 V C 2.365 178.301 176.094 -0.262 0.000 1.045 118 V CA 1.873 63.918 62.300 -0.426 0.000 1.024 118 V CB -0.682 30.703 31.823 -0.731 0.000 0.651 118 V HN 0.552 nan 8.190 nan 0.000 0.449 119 A N -0.101 122.574 122.820 -0.242 0.000 1.892 119 A HA -0.211 4.109 4.320 0.000 0.000 0.218 119 A C 2.205 179.727 177.584 -0.103 0.000 1.188 119 A CA 2.073 54.012 52.037 -0.164 0.000 0.631 119 A CB -0.603 18.303 19.000 -0.155 0.000 0.822 119 A HN 0.515 nan 8.150 nan 0.000 0.447 120 L N -1.611 119.564 121.223 -0.080 0.000 2.056 120 L HA -0.154 4.186 4.340 0.000 0.000 0.207 120 L C 2.816 179.664 176.870 -0.036 0.000 1.078 120 L CA 1.619 56.432 54.840 -0.045 0.000 0.749 120 L CB -0.528 41.512 42.059 -0.033 0.000 0.901 120 L HN 0.415 nan 8.230 nan 0.000 0.433 121 R N 0.213 120.684 120.500 -0.048 0.000 2.083 121 R HA -0.167 4.173 4.340 0.000 0.000 0.237 121 R C 2.277 178.549 176.300 -0.046 0.000 1.137 121 R CA 1.460 57.539 56.100 -0.034 0.000 0.951 121 R CB -0.022 30.252 30.300 -0.045 0.000 0.851 121 R HN 0.340 nan 8.270 nan 0.000 0.434 122 E N 0.492 120.647 120.200 -0.075 0.000 2.153 122 E HA -0.180 4.170 4.350 0.000 0.000 0.194 122 E C 1.155 177.720 176.600 -0.058 0.000 0.988 122 E CA 1.138 57.495 56.400 -0.071 0.000 0.811 122 E CB 0.041 29.684 29.700 -0.094 0.000 0.746 122 E HN 0.394 nan 8.360 nan 0.000 0.466 123 K N 0.714 121.080 120.400 -0.057 0.000 2.437 123 K HA 0.102 4.422 4.320 0.000 0.000 0.198 123 K C -0.094 176.484 176.600 -0.036 0.000 1.024 123 K CA -0.117 56.138 56.287 -0.053 0.000 1.148 123 K CB 0.325 32.789 32.500 -0.059 0.000 0.860 123 K HN -0.013 nan 8.250 nan 0.000 0.515 124 K N 0.671 121.057 120.400 -0.023 0.000 3.096 124 K HA -0.137 4.183 4.320 0.000 0.000 0.266 124 K C -0.775 175.831 176.600 0.010 0.000 1.043 124 K CA 0.211 56.495 56.287 -0.004 0.000 0.758 124 K CB -1.680 30.816 32.500 -0.007 0.000 1.260 124 K HN -0.011 nan 8.250 nan 0.000 0.481 125 V N 1.546 121.464 119.914 0.007 0.000 2.398 125 V HA 0.194 4.314 4.120 0.000 0.000 0.286 125 V C 0.632 176.744 176.094 0.030 0.000 1.026 125 V CA -0.885 61.421 62.300 0.011 0.000 0.868 125 V CB 1.860 33.679 31.823 -0.007 0.000 0.982 125 V HN 0.079 nan 8.190 nan 0.000 0.443 126 V N 5.988 125.915 119.914 0.022 0.000 2.479 126 V HA 0.099 4.219 4.120 0.000 0.000 0.281 126 V C -0.353 175.749 176.094 0.013 0.000 1.031 126 V CA -0.178 62.133 62.300 0.017 0.000 1.038 126 V CB 0.156 31.980 31.823 0.002 0.000 0.981 126 V HN 0.743 nan 8.190 nan 0.000 0.478 127 Y N 4.816 125.078 120.300 -0.064 0.000 2.331 127 Y HA 0.666 5.216 4.550 0.000 0.000 0.338 127 Y C -0.257 175.617 175.900 -0.043 0.000 0.992 127 Y CA -1.550 56.514 58.100 -0.060 0.000 1.121 127 Y CB 1.572 40.017 38.460 -0.025 0.000 1.184 127 Y HN 0.713 nan 8.280 nan 0.000 0.469 128 E N 4.494 124.422 120.200 -0.454 0.000 2.216 128 E HA 0.217 4.567 4.350 0.000 0.000 0.260 128 E C -1.435 174.848 176.600 -0.527 0.000 0.880 128 E CA -0.515 55.604 56.400 -0.469 0.000 0.765 128 E CB 0.532 30.080 29.700 -0.253 0.000 1.174 128 E HN 0.591 nan 8.360 nan 0.000 0.417 129 N N 3.265 121.612 118.700 -0.587 0.000 2.971 129 N HA 0.330 5.070 4.740 0.000 0.000 0.294 129 N C -1.635 173.905 175.510 0.050 0.000 1.210 129 N CA 0.192 53.117 53.050 -0.207 0.000 1.157 129 N CB -0.111 38.305 38.487 -0.119 0.000 1.450 129 N HN 0.468 nan 8.380 nan 0.000 0.527 130 A N 1.901 124.753 122.820 0.054 0.000 2.539 130 A HA 0.379 4.699 4.320 0.000 0.000 0.296 130 A C -1.720 175.873 177.584 0.014 0.000 1.073 130 A CA -0.738 51.291 52.037 -0.012 0.000 0.700 130 A CB 0.712 19.696 19.000 -0.026 0.000 1.296 130 A HN 0.446 nan 8.150 nan 0.000 0.405 131 Y N 1.382 121.501 120.300 -0.303 0.000 2.365 131 Y HA 0.494 5.044 4.550 0.000 0.000 0.340 131 Y C 0.780 176.613 175.900 -0.112 0.000 1.016 131 Y CA 0.370 58.353 58.100 -0.195 0.000 1.196 131 Y CB 0.842 39.066 38.460 -0.392 0.000 1.167 131 Y HN 0.822 nan 8.280 nan 0.000 0.509 132 G N 4.910 113.461 108.800 -0.415 0.000 2.420 132 G HA2 0.439 4.399 3.960 0.000 0.000 0.284 132 G HA3 0.439 4.399 3.960 0.000 0.000 0.284 132 G C -1.542 173.134 174.900 -0.373 0.000 1.177 132 G CA -0.561 44.351 45.100 -0.313 0.000 0.841 132 G HN 0.661 nan 8.290 nan 0.000 0.527 133 Q N 1.106 120.763 119.800 -0.239 0.000 2.380 133 Q HA 0.233 4.573 4.340 0.000 0.000 0.245 133 Q C -1.418 174.502 176.000 -0.133 0.000 0.893 133 Q CA -0.688 55.033 55.803 -0.136 0.000 0.922 133 Q CB 1.274 30.042 28.738 0.050 0.000 1.432 133 Q HN 0.428 nan 8.270 nan 0.000 0.434 134 F N 4.015 123.927 119.950 -0.063 0.000 2.572 134 F HA 0.076 4.604 4.527 0.000 0.000 0.370 134 F C 1.481 177.261 175.800 -0.034 0.000 1.103 134 F CA 0.493 58.437 58.000 -0.094 0.000 1.286 134 F CB 0.541 39.448 39.000 -0.155 0.000 1.105 134 F HN 0.612 nan 8.300 nan 0.000 0.583 135 I N -0.424 120.257 120.570 0.186 0.000 4.187 135 I HA 0.636 4.806 4.170 0.000 0.000 0.326 135 I C 0.746 176.930 176.117 0.113 0.000 1.302 135 I CA 0.189 61.564 61.300 0.124 0.000 1.196 135 I CB 0.317 38.372 38.000 0.093 0.000 1.095 135 I HN 0.522 nan 8.210 nan 0.000 0.411 136 G N 0.600 109.483 108.800 0.139 0.000 2.356 136 G HA2 0.377 4.337 3.960 0.000 0.000 0.294 136 G HA3 0.377 4.337 3.960 0.000 0.000 0.294 136 G C -3.248 171.735 174.900 0.138 0.000 1.423 136 G CA -1.027 44.138 45.100 0.108 0.000 0.806 136 G HN -0.252 nan 8.290 nan 0.000 0.527 137 P HA 0.069 nan 4.420 nan 0.000 0.257 137 P C 0.184 177.655 177.300 0.285 0.000 1.162 137 P CA 0.891 64.103 63.100 0.187 0.000 0.762 137 P CB -0.164 31.653 31.700 0.194 0.000 0.753 138 H N 0.016 119.224 119.070 0.231 0.000 3.141 138 H HA -0.203 4.353 4.556 0.000 0.000 0.260 138 H C 0.287 175.913 175.328 0.498 0.000 1.132 138 H CA 0.995 57.250 56.048 0.345 0.000 1.171 138 H CB -0.804 29.044 29.762 0.143 0.000 1.274 138 H HN 0.547 nan 8.280 nan 0.000 0.329 139 R N -0.005 120.749 120.500 0.423 0.000 2.686 139 R HA 0.738 5.079 4.340 0.000 0.000 0.286 139 R C -0.423 176.037 176.300 0.266 0.000 0.969 139 R CA -0.748 55.574 56.100 0.371 0.000 0.898 139 R CB 2.642 33.095 30.300 0.256 0.000 1.183 139 R HN 0.097 nan 8.270 nan 0.000 0.456 140 I N 2.094 122.817 120.570 0.255 0.000 2.722 140 I HA 0.311 4.481 4.170 0.000 0.000 0.295 140 I C -1.248 174.950 176.117 0.136 0.000 1.161 140 I CA -0.799 60.555 61.300 0.091 0.000 1.032 140 I CB 2.124 40.121 38.000 -0.004 0.000 1.244 140 I HN 0.551 nan 8.210 nan 0.000 0.421 141 K N 6.619 127.057 120.400 0.064 0.000 2.182 141 K HA 0.861 5.181 4.320 0.000 0.000 0.262 141 K C -1.398 175.242 176.600 0.068 0.000 0.957 141 K CA -0.576 55.754 56.287 0.072 0.000 0.842 141 K CB 1.992 34.519 32.500 0.045 0.000 1.099 141 K HN 0.513 nan 8.250 nan 0.000 0.438 142 A N 2.834 125.718 122.820 0.107 0.000 2.304 142 A HA 0.423 4.743 4.320 0.000 0.000 0.314 142 A C -0.885 176.723 177.584 0.039 0.000 1.187 142 A CA -0.759 51.333 52.037 0.092 0.000 0.810 142 A CB 1.198 20.323 19.000 0.207 0.000 1.183 142 A HN 0.727 nan 8.150 nan 0.000 0.487 143 T N 3.517 118.063 114.554 -0.013 0.000 2.756 143 T HA 0.377 4.727 4.350 0.000 0.000 0.290 143 T C 0.435 175.025 174.700 -0.183 0.000 0.985 143 T CA -0.639 61.413 62.100 -0.079 0.000 0.955 143 T CB 0.476 69.288 68.868 -0.094 0.000 0.930 143 T HN 0.881 nan 8.240 nan 0.000 0.451 144 N N 2.753 121.380 118.700 -0.123 0.000 2.322 144 N HA 0.110 4.850 4.740 0.000 0.000 0.270 144 N C 1.085 176.513 175.510 -0.137 0.000 1.286 144 N CA -0.554 52.425 53.050 -0.117 0.000 0.948 144 N CB 0.232 38.701 38.487 -0.029 0.000 1.164 144 N HN 0.268 nan 8.380 nan 0.000 0.551 145 N N -1.171 117.531 118.700 0.002 0.000 2.084 145 N HA -0.184 4.556 4.740 0.000 0.000 0.190 145 N C 1.366 176.895 175.510 0.032 0.000 1.030 145 N CA 2.577 55.685 53.050 0.096 0.000 0.849 145 N CB -0.572 38.029 38.487 0.190 0.000 1.012 145 N HN 0.738 nan 8.380 nan 0.000 0.423 146 K N -0.196 120.215 120.400 0.018 0.000 2.555 146 K HA 0.238 4.558 4.320 0.000 0.000 0.193 146 K C 1.362 177.954 176.600 -0.014 0.000 1.032 146 K CA 1.043 57.334 56.287 0.007 0.000 1.004 146 K CB -1.062 31.445 32.500 0.011 0.000 0.804 146 K HN 0.527 nan 8.250 nan 0.000 0.496 147 G N -2.652 106.126 108.800 -0.037 0.000 2.195 147 G HA2 0.105 4.065 3.960 0.000 0.000 0.224 147 G HA3 0.105 4.065 3.960 0.000 0.000 0.224 147 G C 0.545 175.418 174.900 -0.045 0.000 0.990 147 G CA 0.710 45.779 45.100 -0.051 0.000 0.639 147 G HN 1.248 nan 8.290 nan 0.000 0.514 148 K N 1.013 121.393 120.400 -0.034 0.000 2.350 148 K HA 0.664 4.984 4.320 0.000 0.000 0.279 148 K C 0.272 176.856 176.600 -0.028 0.000 1.027 148 K CA 0.434 56.706 56.287 -0.025 0.000 0.969 148 K CB 0.293 32.785 32.500 -0.015 0.000 0.954 148 K HN 0.600 nan 8.250 nan 0.000 0.474 149 E N 0.833 121.017 120.200 -0.026 0.000 2.214 149 E HA 0.457 4.807 4.350 0.000 0.000 0.274 149 E C -0.898 175.679 176.600 -0.037 0.000 0.977 149 E CA -0.816 55.570 56.400 -0.023 0.000 0.827 149 E CB 1.712 31.399 29.700 -0.020 0.000 1.130 149 E HN 0.528 nan 8.360 nan 0.000 0.394 150 K N 2.300 122.672 120.400 -0.046 0.000 2.498 150 K HA 0.443 4.763 4.320 0.000 0.000 0.254 150 K C -1.367 175.106 176.600 -0.211 0.000 0.933 150 K CA -0.516 55.674 56.287 -0.162 0.000 0.806 150 K CB 1.368 33.750 32.500 -0.196 0.000 1.301 150 K HN 0.429 nan 8.250 nan 0.000 0.432 151 I N 3.974 124.379 120.570 -0.276 0.000 2.359 151 I HA 0.352 4.522 4.170 0.000 0.000 0.294 151 I C -0.933 175.022 176.117 -0.270 0.000 0.987 151 I CA -0.771 60.439 61.300 -0.150 0.000 1.225 151 I CB 0.904 38.882 38.000 -0.037 0.000 1.366 151 I HN 0.550 nan 8.210 nan 0.000 0.466 152 Y N 2.945 123.336 120.300 0.152 0.000 2.545 152 Y HA 0.470 5.020 4.550 0.000 0.000 0.348 152 Y C 0.189 176.263 175.900 0.291 0.000 1.002 152 Y CA -0.765 57.464 58.100 0.216 0.000 1.039 152 Y CB 2.346 40.938 38.460 0.220 0.000 1.271 152 Y HN 0.562 nan 8.280 nan 0.000 0.467 153 S N 1.313 117.307 115.700 0.490 0.000 2.566 153 S HA 0.984 5.454 4.470 0.000 0.000 0.298 153 S C -0.984 173.863 174.600 0.412 0.000 1.083 153 S CA -0.535 57.965 58.200 0.500 0.000 0.978 153 S CB 2.024 65.496 63.200 0.452 0.000 1.073 153 S HN 1.029 nan 8.310 nan 0.000 0.491 154 A N 0.903 123.884 122.820 0.270 0.000 2.572 154 A HA 0.655 4.975 4.320 0.000 0.000 0.295 154 A C 0.383 177.702 177.584 -0.442 0.000 1.072 154 A CA -0.529 51.423 52.037 -0.142 0.000 0.691 154 A CB 1.260 19.864 19.000 -0.661 0.000 1.291 154 A HN 0.988 nan 8.150 nan 0.000 0.404 155 E N 0.261 120.111 120.200 -0.584 0.000 2.106 155 E HA -0.047 4.303 4.350 0.000 0.000 0.192 155 E C 0.430 176.985 176.600 -0.074 0.000 0.984 155 E CA 0.983 56.967 56.400 -0.693 0.000 0.806 155 E CB 0.131 29.679 29.700 -0.253 0.000 0.750 155 E HN 0.574 nan 8.360 nan 0.000 0.458 156 R N -1.243 119.259 120.500 0.003 0.000 2.836 156 R HA 0.448 4.788 4.340 0.000 0.000 0.269 156 R C -1.424 174.897 176.300 0.034 0.000 1.010 156 R CA -0.733 55.523 56.100 0.260 0.000 0.930 156 R CB 1.362 31.830 30.300 0.281 0.000 1.218 156 R HN -0.106 nan 8.270 nan 0.000 0.473 157 F N 0.801 120.945 119.950 0.323 0.000 2.576 157 F HA 0.481 5.008 4.527 0.000 0.000 0.313 157 F C -0.804 175.135 175.800 0.231 0.000 1.078 157 F CA -0.969 57.184 58.000 0.255 0.000 0.921 157 F CB 1.856 41.066 39.000 0.350 0.000 1.232 157 F HN 0.149 nan 8.300 nan 0.000 0.459 158 L N 4.377 125.800 121.223 0.333 0.000 2.343 158 L HA 0.603 4.944 4.340 0.000 0.000 0.278 158 L C -1.009 175.983 176.870 0.203 0.000 0.996 158 L CA -0.472 54.515 54.840 0.245 0.000 0.831 158 L CB 1.013 43.159 42.059 0.145 0.000 1.232 158 L HN 0.462 nan 8.230 nan 0.000 0.413 159 I N 5.661 126.346 120.570 0.191 0.000 2.322 159 I HA 0.431 4.601 4.170 0.000 0.000 0.292 159 I C 0.488 176.664 176.117 0.098 0.000 1.060 159 I CA -0.048 61.334 61.300 0.137 0.000 1.309 159 I CB 1.092 39.174 38.000 0.136 0.000 1.415 159 I HN 0.834 nan 8.210 nan 0.000 0.492 160 A N 3.998 126.861 122.820 0.071 0.000 3.176 160 A HA 0.270 4.590 4.320 0.000 0.000 0.265 160 A C 0.670 178.285 177.584 0.052 0.000 0.936 160 A CA -0.285 51.788 52.037 0.061 0.000 1.033 160 A CB 0.399 19.430 19.000 0.051 0.000 1.158 160 A HN 0.655 nan 8.150 nan 0.000 0.485 161 T N -0.360 114.227 114.554 0.056 0.000 3.044 161 T HA 0.428 4.778 4.350 0.000 0.000 0.250 161 T C 1.222 175.969 174.700 0.079 0.000 1.081 161 T CA 1.688 63.819 62.100 0.052 0.000 1.040 161 T CB -0.360 68.530 68.868 0.037 0.000 0.962 161 T HN 1.968 nan 8.240 nan 0.000 0.506 162 G N 1.245 110.095 108.800 0.082 0.000 2.641 162 G HA2 -0.176 3.784 3.960 0.000 0.000 0.254 162 G HA3 -0.176 3.784 3.960 0.000 0.000 0.254 162 G C -0.705 174.259 174.900 0.106 0.000 1.315 162 G CA -0.093 45.065 45.100 0.096 0.000 0.907 162 G HN 0.555 nan 8.290 nan 0.000 0.572 163 E N -0.369 119.902 120.200 0.117 0.000 2.423 163 E HA 0.776 5.126 4.350 0.000 0.000 0.269 163 E C -0.341 176.345 176.600 0.144 0.000 0.948 163 E CA -1.172 55.299 56.400 0.119 0.000 0.802 163 E CB 1.801 31.562 29.700 0.102 0.000 1.339 163 E HN 0.474 nan 8.360 nan 0.000 0.445 164 R N 0.427 121.012 120.500 0.142 0.000 2.808 164 R HA 0.464 4.804 4.340 0.000 0.000 0.272 164 R C -2.745 173.637 176.300 0.137 0.000 0.995 164 R CA -2.486 53.715 56.100 0.167 0.000 0.917 164 R CB 1.001 31.416 30.300 0.191 0.000 1.217 164 R HN 0.328 nan 8.270 nan 0.000 0.471 165 P HA 0.077 nan 4.420 nan 0.000 0.266 165 P C -0.365 176.981 177.300 0.078 0.000 1.195 165 P CA 0.006 63.140 63.100 0.057 0.000 0.768 165 P CB 0.614 32.318 31.700 0.007 0.000 0.838 166 R N 2.609 123.117 120.500 0.013 0.000 2.404 166 R HA 0.362 4.702 4.340 0.000 0.000 0.291 166 R C -0.802 175.474 176.300 -0.041 0.000 1.025 166 R CA -0.429 55.707 56.100 0.061 0.000 0.991 166 R CB 0.352 30.676 30.300 0.040 0.000 1.053 166 R HN 0.385 nan 8.270 nan 0.000 0.479 167 Y N 2.417 122.731 120.300 0.023 0.000 2.496 167 Y HA 0.311 4.861 4.550 0.000 0.000 0.331 167 Y C 0.224 176.133 175.900 0.015 0.000 1.140 167 Y CA -0.652 57.458 58.100 0.017 0.000 1.166 167 Y CB 1.412 39.881 38.460 0.014 0.000 1.249 167 Y HN 0.368 nan 8.280 nan 0.000 0.479 168 L N 1.361 122.671 121.223 0.144 0.000 2.397 168 L HA 0.278 4.618 4.340 0.000 0.000 0.271 168 L C 1.260 178.200 176.870 0.117 0.000 1.148 168 L CA -0.241 54.658 54.840 0.098 0.000 0.825 168 L CB 0.464 42.563 42.059 0.068 0.000 1.117 168 L HN 0.954 nan 8.230 nan 0.000 0.456 169 G N 3.734 112.581 108.800 0.080 0.000 3.375 169 G HA2 0.245 4.206 3.960 0.000 0.000 0.247 169 G HA3 0.245 4.206 3.960 0.000 0.000 0.247 169 G C 0.211 175.142 174.900 0.051 0.000 1.343 169 G CA -0.168 44.970 45.100 0.062 0.000 1.368 169 G HN 0.574 nan 8.290 nan 0.000 0.549 170 I N -3.435 117.173 120.570 0.064 0.000 2.750 170 I HA 0.668 4.838 4.170 0.000 0.000 0.308 170 I C -2.692 173.456 176.117 0.053 0.000 1.016 170 I CA -3.389 57.945 61.300 0.056 0.000 1.098 170 I CB 2.223 40.261 38.000 0.064 0.000 1.279 170 I HN -0.250 nan 8.210 nan 0.000 0.454 171 P HA 0.218 nan 4.420 nan 0.000 0.268 171 P C 0.622 177.965 177.300 0.070 0.000 1.204 171 P CA 0.794 63.920 63.100 0.044 0.000 0.768 171 P CB 0.923 32.654 31.700 0.052 0.000 0.842 172 G N 3.204 112.022 108.800 0.031 0.000 2.217 172 G HA2 -0.274 3.686 3.960 0.000 0.000 0.246 172 G HA3 -0.274 3.686 3.960 0.000 0.000 0.246 172 G C 0.950 175.876 174.900 0.044 0.000 0.990 172 G CA 0.539 45.671 45.100 0.054 0.000 0.627 172 G HN 0.568 nan 8.290 nan 0.000 0.522 173 D N 1.214 121.659 120.400 0.075 0.000 2.087 173 D HA -0.112 4.528 4.640 0.000 0.000 0.192 173 D C 1.984 178.390 176.300 0.175 0.000 0.993 173 D CA 1.689 55.790 54.000 0.169 0.000 0.828 173 D CB -0.582 40.362 40.800 0.240 0.000 0.968 173 D HN 0.469 nan 8.370 nan 0.000 0.448 174 K N 0.293 120.669 120.400 -0.039 0.000 2.217 174 K HA -0.064 4.256 4.320 0.000 0.000 0.202 174 K C 2.079 178.593 176.600 -0.143 0.000 1.051 174 K CA 1.169 57.325 56.287 -0.219 0.000 0.952 174 K CB 0.059 32.332 32.500 -0.378 0.000 0.736 174 K HN 0.479 nan 8.250 nan 0.000 0.453 175 E N -0.381 119.670 120.200 -0.249 0.000 2.216 175 E HA -0.093 4.257 4.350 0.000 0.000 0.192 175 E C 1.037 177.420 176.600 -0.361 0.000 0.973 175 E CA 0.968 57.119 56.400 -0.415 0.000 0.851 175 E CB -0.078 29.205 29.700 -0.694 0.000 0.804 175 E HN 0.361 nan 8.360 nan 0.000 0.477 176 Y N 0.500 120.840 120.300 0.066 0.000 2.430 176 Y HA 0.286 4.836 4.550 0.000 0.000 0.254 176 Y C 1.187 177.135 175.900 0.079 0.000 1.088 176 Y CA -1.334 56.805 58.100 0.066 0.000 1.267 176 Y CB 0.149 38.639 38.460 0.049 0.000 1.204 176 Y HN -0.024 nan 8.280 nan 0.000 0.515 177 C N 2.201 121.632 119.300 0.218 0.000 2.335 177 C HA 0.686 5.146 4.460 0.000 0.000 0.363 177 C C 0.620 175.700 174.990 0.151 0.000 1.198 177 C CA -1.157 57.956 59.018 0.158 0.000 2.279 177 C CB 0.509 28.324 27.740 0.125 0.000 2.334 177 C HN 0.352 nan 8.230 nan 0.000 0.559 178 I N 0.298 120.911 120.570 0.071 0.000 2.910 178 I HA 0.827 4.997 4.170 0.000 0.000 0.310 178 I C -0.034 176.056 176.117 -0.045 0.000 1.043 178 I CA -0.099 61.230 61.300 0.048 0.000 1.053 178 I CB 2.033 40.045 38.000 0.020 0.000 1.242 178 I HN 0.716 nan 8.210 nan 0.000 0.452 179 S N 1.081 116.755 115.700 -0.043 0.000 2.798 179 S HA 0.338 4.808 4.470 0.000 0.000 0.312 179 S C 1.072 175.606 174.600 -0.110 0.000 1.122 179 S CA 0.015 58.148 58.200 -0.113 0.000 0.949 179 S CB 1.170 64.305 63.200 -0.109 0.000 1.235 179 S HN 0.934 nan 8.310 nan 0.000 0.552 180 S N 0.494 116.121 115.700 -0.121 0.000 2.392 180 S HA -0.242 4.228 4.470 0.000 0.000 0.232 180 S C 1.116 175.648 174.600 -0.114 0.000 1.041 180 S CA 1.941 60.043 58.200 -0.163 0.000 1.026 180 S CB -1.227 61.976 63.200 0.006 0.000 0.845 180 S HN 0.715 nan 8.310 nan 0.000 0.465 181 D N 1.942 122.352 120.400 0.016 0.000 2.149 181 D HA -0.076 4.564 4.640 0.000 0.000 0.198 181 D C 1.636 178.008 176.300 0.121 0.000 0.990 181 D CA 1.528 55.579 54.000 0.085 0.000 0.839 181 D CB -0.406 40.580 40.800 0.311 0.000 0.948 181 D HN 0.593 nan 8.370 nan 0.000 0.460 182 D N -0.405 120.045 120.400 0.084 0.000 2.301 182 D HA -0.043 4.597 4.640 0.000 0.000 0.206 182 D C 2.182 178.487 176.300 0.008 0.000 0.979 182 D CA -0.060 53.995 54.000 0.092 0.000 0.874 182 D CB 0.105 40.959 40.800 0.090 0.000 0.968 182 D HN 0.111 nan 8.370 nan 0.000 0.510 183 L N 0.653 121.792 121.223 -0.140 0.000 2.042 183 L HA -0.152 4.188 4.340 0.000 0.000 0.210 183 L C 1.600 178.425 176.870 -0.075 0.000 1.076 183 L CA 1.636 56.361 54.840 -0.192 0.000 0.749 183 L CB -0.706 41.090 42.059 -0.438 0.000 0.893 183 L HN -0.154 nan 8.230 nan 0.000 0.432 184 F N -0.680 119.341 119.950 0.118 0.000 2.802 184 F HA 0.073 4.600 4.527 0.000 0.000 0.300 184 F C 1.970 177.786 175.800 0.025 0.000 1.168 184 F CA 0.651 58.680 58.000 0.048 0.000 1.433 184 F CB -0.830 38.152 39.000 -0.030 0.000 1.115 184 F HN 0.308 nan 8.300 nan 0.000 0.582 185 S N -1.333 114.487 115.700 0.199 0.000 2.819 185 S HA 0.267 4.737 4.470 0.000 0.000 0.249 185 S C 0.039 174.725 174.600 0.143 0.000 1.030 185 S CA -0.423 57.870 58.200 0.154 0.000 1.052 185 S CB -0.394 62.905 63.200 0.165 0.000 1.017 185 S HN 0.038 nan 8.310 nan 0.000 0.576 186 L N 4.619 125.945 121.223 0.172 0.000 2.534 186 L HA 0.284 4.624 4.340 0.000 0.000 0.271 186 L C -1.702 175.219 176.870 0.085 0.000 1.178 186 L CA -1.177 53.682 54.840 0.031 0.000 0.907 186 L CB 0.363 42.382 42.059 -0.067 0.000 1.164 186 L HN 0.018 nan 8.230 nan 0.000 0.482 187 P HA 0.020 nan 4.420 nan 0.000 0.255 187 P C -1.379 176.045 177.300 0.207 0.000 1.301 187 P CA 0.432 63.608 63.100 0.126 0.000 0.817 187 P CB -0.252 31.545 31.700 0.162 0.000 1.259 188 Y N -3.551 116.852 120.300 0.172 0.000 2.638 188 Y HA 0.485 5.035 4.550 0.000 0.000 0.335 188 Y C -0.689 174.992 175.900 -0.365 0.000 1.155 188 Y CA -2.040 56.076 58.100 0.027 0.000 1.046 188 Y CB -0.006 38.443 38.460 -0.018 0.000 1.303 188 Y HN -0.241 nan 8.280 nan 0.000 0.460 189 C N 3.946 123.083 119.300 -0.272 0.000 2.629 189 C HA 0.316 4.776 4.460 0.000 0.000 0.410 189 C C -1.121 173.618 174.990 -0.418 0.000 1.339 189 C CA -1.277 57.269 59.018 -0.787 0.000 1.810 189 C CB 0.067 27.672 27.740 -0.224 0.000 2.549 189 C HN 0.773 nan 8.230 nan 0.000 0.589 190 P HA 0.131 nan 4.420 nan 0.000 0.222 190 P C 1.060 178.290 177.300 -0.117 0.000 1.147 190 P CA 1.970 64.909 63.100 -0.268 0.000 0.790 190 P CB -0.136 31.349 31.700 -0.360 0.000 0.780 191 G N -0.237 108.480 108.800 -0.138 0.000 2.552 191 G HA2 -0.322 3.638 3.960 0.000 0.000 0.265 191 G HA3 -0.322 3.638 3.960 0.000 0.000 0.265 191 G C -0.247 174.634 174.900 -0.033 0.000 1.234 191 G CA -0.350 44.715 45.100 -0.058 0.000 0.944 191 G HN 0.383 nan 8.290 nan 0.000 0.568 192 K N 1.381 121.779 120.400 -0.003 0.000 2.430 192 K HA 0.332 4.652 4.320 0.000 0.000 0.280 192 K C -0.311 176.347 176.600 0.097 0.000 1.063 192 K CA 1.015 57.326 56.287 0.040 0.000 1.071 192 K CB -0.378 32.135 32.500 0.022 0.000 0.899 192 K HN 0.517 nan 8.250 nan 0.000 0.473 193 T N 4.597 119.193 114.554 0.071 0.000 2.841 193 T HA 0.307 4.657 4.350 0.000 0.000 0.283 193 T C -1.073 173.551 174.700 -0.127 0.000 1.000 193 T CA -0.744 61.344 62.100 -0.019 0.000 0.977 193 T CB 1.247 70.060 68.868 -0.092 0.000 0.979 193 T HN 0.402 nan 8.240 nan 0.000 0.446 194 L N 4.287 125.266 121.223 -0.407 0.000 2.287 194 L HA 0.655 4.995 4.340 0.000 0.000 0.287 194 L C -0.910 175.744 176.870 -0.359 0.000 1.022 194 L CA -0.508 53.958 54.840 -0.624 0.000 0.814 194 L CB 1.039 42.352 42.059 -1.244 0.000 1.217 194 L HN 0.438 nan 8.230 nan 0.000 0.420 195 V N 6.292 126.035 119.914 -0.286 0.000 2.370 195 V HA 0.382 4.502 4.120 0.000 0.000 0.279 195 V C -0.177 175.802 176.094 -0.191 0.000 1.029 195 V CA -0.633 61.535 62.300 -0.221 0.000 0.870 195 V CB 1.587 33.286 31.823 -0.207 0.000 0.984 195 V HN 0.526 nan 8.190 nan 0.000 0.451 196 V N 5.043 124.862 119.914 -0.158 0.000 2.364 196 V HA 0.924 5.044 4.120 0.000 0.000 0.272 196 V C 0.637 176.682 176.094 -0.081 0.000 1.036 196 V CA 0.544 62.779 62.300 -0.109 0.000 0.880 196 V CB 0.569 32.336 31.823 -0.094 0.000 0.991 196 V HN 1.239 nan 8.190 nan 0.000 0.460 197 G N 3.901 112.673 108.800 -0.046 0.000 2.362 197 G HA2 0.469 4.429 3.960 0.000 0.000 0.656 197 G HA3 0.469 4.429 3.960 0.000 0.000 0.656 197 G C -0.404 174.499 174.900 0.004 0.000 1.376 197 G CA -0.069 45.017 45.100 -0.023 0.000 0.971 197 G HN 1.363 nan 8.290 nan 0.000 0.636 198 A N -0.189 122.648 122.820 0.029 0.000 2.594 198 A HA 0.748 5.068 4.320 0.000 0.000 0.292 198 A C 1.020 178.636 177.584 0.054 0.000 1.026 198 A CA 1.185 53.259 52.037 0.061 0.000 0.983 198 A CB -0.437 18.619 19.000 0.094 0.000 1.233 198 A HN 2.313 nan 8.150 nan 0.000 0.519 199 S N -0.668 115.041 115.700 0.015 0.000 2.624 199 S HA 0.325 4.795 4.470 0.000 0.000 0.263 199 S C 1.161 175.758 174.600 -0.006 0.000 1.287 199 S CA 0.209 58.410 58.200 0.001 0.000 0.990 199 S CB -0.006 63.134 63.200 -0.100 0.000 0.950 199 S HN 0.908 nan 8.310 nan 0.000 0.561 200 Y N -0.362 119.968 120.300 0.051 0.000 2.165 200 Y HA -0.042 4.508 4.550 0.000 0.000 0.286 200 Y C 1.961 177.898 175.900 0.062 0.000 1.155 200 Y CA 1.192 59.295 58.100 0.006 0.000 1.164 200 Y CB -1.281 37.179 38.460 0.001 0.000 0.978 200 Y HN 0.293 nan 8.280 nan 0.000 0.513 201 V N 1.375 121.113 119.914 -0.293 0.000 2.332 201 V HA -0.345 3.775 4.120 0.000 0.000 0.248 201 V C 2.893 178.975 176.094 -0.021 0.000 1.055 201 V CA 1.911 64.156 62.300 -0.092 0.000 1.038 201 V CB -1.394 30.309 31.823 -0.200 0.000 0.651 201 V HN 0.686 nan 8.190 nan 0.000 0.450 202 A N -0.407 122.374 122.820 -0.065 0.000 1.877 202 A HA -0.150 4.171 4.320 0.000 0.000 0.216 202 A C 2.184 179.743 177.584 -0.041 0.000 1.186 202 A CA 1.838 53.837 52.037 -0.064 0.000 0.620 202 A CB -0.500 18.465 19.000 -0.058 0.000 0.822 202 A HN 0.500 nan 8.150 nan 0.000 0.443 203 L N -0.944 120.290 121.223 0.018 0.000 2.109 203 L HA -0.146 4.194 4.340 0.000 0.000 0.207 203 L C 2.569 179.475 176.870 0.060 0.000 1.086 203 L CA 1.286 56.156 54.840 0.050 0.000 0.760 203 L CB -0.677 41.438 42.059 0.094 0.000 0.910 203 L HN 0.484 nan 8.230 nan 0.000 0.437 204 E N -0.273 119.993 120.200 0.110 0.000 2.058 204 E HA -0.236 4.114 4.350 0.000 0.000 0.194 204 E C 2.321 178.966 176.600 0.075 0.000 0.997 204 E CA 1.783 58.295 56.400 0.187 0.000 0.801 204 E CB -0.170 29.718 29.700 0.314 0.000 0.746 204 E HN 0.537 nan 8.360 nan 0.000 0.450 205 C N 0.615 119.852 119.300 -0.105 0.000 2.466 205 C HA -0.002 4.458 4.460 0.000 0.000 0.278 205 C C 2.908 177.501 174.990 -0.662 0.000 1.288 205 C CA 0.517 59.140 59.018 -0.658 0.000 1.722 205 C CB -0.957 26.555 27.740 -0.379 0.000 2.017 205 C HN 0.515 nan 8.230 nan 0.000 0.488 206 A N 1.254 123.888 122.820 -0.310 0.000 1.892 206 A HA -0.052 4.268 4.320 0.000 0.000 0.218 206 A C 2.392 179.872 177.584 -0.174 0.000 1.188 206 A CA 2.363 54.259 52.037 -0.235 0.000 0.631 206 A CB -1.370 17.522 19.000 -0.179 0.000 0.822 206 A HN 0.559 nan 8.150 nan 0.000 0.447 207 G N -0.300 108.454 108.800 -0.077 0.000 2.446 207 G HA2 -0.191 3.769 3.960 0.000 0.000 0.217 207 G HA3 -0.191 3.769 3.960 0.000 0.000 0.217 207 G C 1.393 176.373 174.900 0.134 0.000 1.168 207 G CA 1.406 46.550 45.100 0.073 0.000 0.771 207 G HN 0.827 nan 8.290 nan 0.000 0.551 208 F N 0.577 120.623 119.950 0.159 0.000 2.293 208 F HA 0.310 4.837 4.527 0.000 0.000 0.297 208 F C 2.180 178.041 175.800 0.103 0.000 1.089 208 F CA 0.182 58.268 58.000 0.144 0.000 1.377 208 F CB -0.699 38.411 39.000 0.183 0.000 1.051 208 F HN 0.038 nan 8.300 nan 0.000 0.511 209 L N 0.905 122.099 121.223 -0.049 0.000 2.079 209 L HA -0.169 4.171 4.340 0.000 0.000 0.210 209 L C 2.915 179.822 176.870 0.062 0.000 1.081 209 L CA 1.310 56.187 54.840 0.061 0.000 0.752 209 L CB -1.081 40.903 42.059 -0.125 0.000 0.896 209 L HN 0.386 nan 8.230 nan 0.000 0.433 210 A N 0.064 122.899 122.820 0.024 0.000 1.929 210 A HA -0.055 4.265 4.320 0.000 0.000 0.216 210 A C 2.397 180.021 177.584 0.066 0.000 1.176 210 A CA 1.401 53.461 52.037 0.038 0.000 0.628 210 A CB -1.090 17.928 19.000 0.031 0.000 0.816 210 A HN 0.424 nan 8.150 nan 0.000 0.444 211 G N -0.216 108.643 108.800 0.099 0.000 2.448 211 G HA2 -0.118 3.842 3.960 0.000 0.000 0.219 211 G HA3 -0.118 3.842 3.960 0.000 0.000 0.219 211 G C 1.177 176.093 174.900 0.027 0.000 1.127 211 G CA 1.006 46.155 45.100 0.081 0.000 0.766 211 G HN 0.379 nan 8.290 nan 0.000 0.552 212 I N 0.983 121.563 120.570 0.016 0.000 3.428 212 I HA 0.143 4.313 4.170 0.000 0.000 0.286 212 I C 2.091 178.208 176.117 -0.001 0.000 1.287 212 I CA 0.978 62.208 61.300 -0.117 0.000 1.396 212 I CB -0.750 37.177 38.000 -0.122 0.000 1.062 212 I HN 0.379 nan 8.210 nan 0.000 0.471 213 G N 0.755 109.580 108.800 0.041 0.000 2.179 213 G HA2 -0.202 3.758 3.960 0.000 0.000 0.220 213 G HA3 -0.202 3.758 3.960 0.000 0.000 0.220 213 G C 0.301 175.232 174.900 0.052 0.000 0.990 213 G CA -0.335 44.798 45.100 0.054 0.000 0.646 213 G HN 0.287 nan 8.290 nan 0.000 0.517 214 L N 0.937 122.191 121.223 0.052 0.000 2.439 214 L HA 0.485 4.825 4.340 0.000 0.000 0.261 214 L C 0.404 177.281 176.870 0.012 0.000 1.153 214 L CA -0.786 54.073 54.840 0.031 0.000 0.808 214 L CB 0.652 42.724 42.059 0.021 0.000 1.126 214 L HN 0.104 nan 8.230 nan 0.000 0.460 215 D N 1.764 122.167 120.400 0.005 0.000 2.339 215 D HA 0.273 4.913 4.640 0.000 0.000 0.241 215 D C -1.074 175.227 176.300 0.001 0.000 1.183 215 D CA -0.074 53.927 54.000 0.001 0.000 0.859 215 D CB 1.048 41.848 40.800 -0.000 0.000 1.067 215 D HN 0.074 nan 8.370 nan 0.000 0.484 216 V N 3.645 123.545 119.914 -0.023 0.000 2.540 216 V HA 0.445 4.565 4.120 0.000 0.000 0.302 216 V C 0.316 176.353 176.094 -0.094 0.000 1.035 216 V CA -0.631 61.631 62.300 -0.063 0.000 0.873 216 V CB 2.162 33.927 31.823 -0.097 0.000 0.992 216 V HN 0.533 nan 8.190 nan 0.000 0.428 217 T N 3.706 118.192 114.554 -0.114 0.000 2.861 217 T HA 0.619 4.969 4.350 0.000 0.000 0.287 217 T C -0.694 173.837 174.700 -0.282 0.000 1.003 217 T CA -0.418 61.584 62.100 -0.163 0.000 0.977 217 T CB 1.861 70.734 68.868 0.007 0.000 0.996 217 T HN 0.346 nan 8.240 nan 0.000 0.448 218 V N 3.984 123.649 119.914 -0.415 0.000 2.384 218 V HA 0.507 4.627 4.120 0.000 0.000 0.287 218 V C -0.213 175.764 176.094 -0.196 0.000 1.020 218 V CA -0.788 61.289 62.300 -0.372 0.000 0.850 218 V CB 1.558 33.047 31.823 -0.556 0.000 0.987 218 V HN 0.877 nan 8.190 nan 0.000 0.436 219 M N 5.950 125.485 119.600 -0.109 0.000 2.149 219 M HA 0.642 5.122 4.480 0.000 0.000 0.342 219 M C -1.324 175.007 176.300 0.050 0.000 1.068 219 M CA -0.256 55.041 55.300 -0.006 0.000 0.991 219 M CB 1.292 33.879 32.600 -0.023 0.000 1.596 219 M HN 0.482 nan 8.290 nan 0.000 0.439 220 V N 5.430 125.417 119.914 0.122 0.000 2.715 220 V HA 0.455 4.575 4.120 0.000 0.000 0.310 220 V C 0.671 176.832 176.094 0.112 0.000 1.054 220 V CA -0.687 61.685 62.300 0.120 0.000 0.928 220 V CB 1.762 33.683 31.823 0.163 0.000 1.007 220 V HN 0.976 nan 8.190 nan 0.000 0.437 221 R N 1.735 122.282 120.500 0.077 0.000 2.057 221 R HA -0.009 4.331 4.340 0.000 0.000 0.224 221 R C 1.499 177.824 176.300 0.043 0.000 1.136 221 R CA 1.805 57.938 56.100 0.055 0.000 0.968 221 R CB 0.203 30.526 30.300 0.038 0.000 0.863 221 R HN 0.905 nan 8.270 nan 0.000 0.433 222 S N 0.058 115.786 115.700 0.046 0.000 4.002 222 S HA 0.240 4.710 4.470 0.000 0.000 0.167 222 S C 0.695 175.320 174.600 0.043 0.000 0.914 222 S CA -0.352 57.870 58.200 0.036 0.000 1.110 222 S CB -0.390 62.825 63.200 0.025 0.000 1.714 222 S HN 0.310 nan 8.310 nan 0.000 0.858 223 I N 1.103 121.699 120.570 0.044 0.000 2.577 223 I HA 0.596 4.766 4.170 0.000 0.000 0.305 223 I C -0.700 175.451 176.117 0.057 0.000 0.986 223 I CA -1.256 60.069 61.300 0.042 0.000 1.189 223 I CB 0.952 38.977 38.000 0.041 0.000 1.355 223 I HN 0.362 nan 8.210 nan 0.000 0.476 224 L N 5.210 126.460 121.223 0.045 0.000 2.397 224 L HA 0.299 4.639 4.340 0.000 0.000 0.271 224 L C 0.289 177.206 176.870 0.079 0.000 1.148 224 L CA -0.842 54.032 54.840 0.057 0.000 0.825 224 L CB 0.724 42.796 42.059 0.021 0.000 1.117 224 L HN 0.674 nan 8.230 nan 0.000 0.456 225 L N 2.102 123.384 121.223 0.098 0.000 3.823 225 L HA -0.229 4.111 4.340 0.000 0.000 0.525 225 L C 0.808 177.870 176.870 0.320 0.000 1.247 225 L CA 0.196 55.136 54.840 0.166 0.000 0.776 225 L CB -1.281 40.764 42.059 -0.023 0.000 1.443 225 L HN 0.733 nan 8.230 nan 0.000 0.831 226 R N 1.029 121.676 120.500 0.246 0.000 2.537 226 R HA 0.228 4.568 4.340 0.000 0.000 0.281 226 R C 1.427 177.892 176.300 0.276 0.000 0.988 226 R CA 1.377 57.604 56.100 0.212 0.000 1.077 226 R CB 0.333 30.717 30.300 0.140 0.000 0.932 226 R HN 0.595 nan 8.270 nan 0.000 0.409 227 G N 3.423 112.335 108.800 0.186 0.000 2.308 227 G HA2 -0.271 3.689 3.960 0.000 0.000 0.221 227 G HA3 -0.271 3.689 3.960 0.000 0.000 0.221 227 G C -0.089 174.811 174.900 -0.001 0.000 1.032 227 G CA -0.162 44.973 45.100 0.058 0.000 0.623 227 G HN 0.522 nan 8.290 nan 0.000 0.506 228 F N 1.910 121.947 119.950 0.145 0.000 2.380 228 F HA 0.511 5.038 4.527 -0.000 0.000 0.321 228 F C 0.798 176.686 175.800 0.147 0.000 1.103 228 F CA -0.508 57.611 58.000 0.198 0.000 1.067 228 F CB 0.702 39.868 39.000 0.277 0.000 1.265 228 F HN -0.015 nan 8.300 nan 0.000 0.517 229 D N 1.908 122.527 120.400 0.365 0.000 2.502 229 D HA -0.096 4.544 4.640 0.000 0.000 0.249 229 D C 0.705 177.046 176.300 0.069 0.000 1.188 229 D CA 0.248 54.332 54.000 0.141 0.000 0.890 229 D CB 0.942 41.731 40.800 -0.019 0.000 1.140 229 D HN 0.477 nan 8.370 nan 0.000 0.505 230 Q N 3.002 122.824 119.800 0.037 0.000 2.230 230 Q HA -0.127 4.213 4.340 0.000 0.000 0.202 230 Q C 1.284 177.253 176.000 -0.052 0.000 0.963 230 Q CA 0.813 56.621 55.803 0.008 0.000 0.866 230 Q CB -0.078 28.670 28.738 0.015 0.000 0.931 230 Q HN 0.641 nan 8.270 nan 0.000 0.452 231 D N 0.029 120.386 120.400 -0.072 0.000 2.117 231 D HA -0.140 4.500 4.640 0.000 0.000 0.197 231 D C 1.688 177.887 176.300 -0.168 0.000 0.987 231 D CA 1.068 55.002 54.000 -0.110 0.000 0.829 231 D CB 0.212 40.956 40.800 -0.092 0.000 0.961 231 D HN 0.023 nan 8.370 nan 0.000 0.460 232 M N 0.462 119.942 119.600 -0.201 0.000 2.132 232 M HA 0.042 4.522 4.480 0.000 0.000 0.263 232 M C 2.454 178.553 176.300 -0.335 0.000 1.065 232 M CA 1.206 56.299 55.300 -0.345 0.000 1.122 232 M CB -1.475 30.716 32.600 -0.681 0.000 1.365 232 M HN 0.120 nan 8.290 nan 0.000 0.411 233 A N 1.389 124.071 122.820 -0.230 0.000 1.892 233 A HA -0.217 4.103 4.320 0.000 0.000 0.218 233 A C 2.055 179.562 177.584 -0.129 0.000 1.188 233 A CA 2.081 54.029 52.037 -0.148 0.000 0.631 233 A CB -0.901 18.075 19.000 -0.039 0.000 0.822 233 A HN 0.522 nan 8.150 nan 0.000 0.447 234 N N -0.193 118.433 118.700 -0.122 0.000 2.244 234 N HA -0.104 4.636 4.740 0.000 0.000 0.183 234 N C 1.608 177.043 175.510 -0.125 0.000 1.016 234 N CA 1.378 54.354 53.050 -0.123 0.000 0.866 234 N CB -0.313 38.109 38.487 -0.108 0.000 0.980 234 N HN 0.585 nan 8.380 nan 0.000 0.430 235 K N 0.731 121.048 120.400 -0.138 0.000 2.057 235 K HA 0.024 4.344 4.320 0.000 0.000 0.206 235 K C 2.083 178.658 176.600 -0.042 0.000 1.050 235 K CA 0.685 56.909 56.287 -0.106 0.000 0.935 235 K CB -0.079 32.326 32.500 -0.158 0.000 0.715 235 K HN 0.143 nan 8.250 nan 0.000 0.439 236 I N 0.669 121.194 120.570 -0.076 0.000 2.163 236 I HA -0.235 3.935 4.170 0.000 0.000 0.243 236 I C 2.517 178.666 176.117 0.055 0.000 1.085 236 I CA 1.516 62.810 61.300 -0.011 0.000 1.347 236 I CB -0.714 37.255 38.000 -0.053 0.000 1.044 236 I HN 0.296 nan 8.210 nan 0.000 0.408 237 G N 0.298 109.072 108.800 -0.042 0.000 2.418 237 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 237 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 237 G C 1.510 176.316 174.900 -0.157 0.000 1.158 237 G CA 0.623 45.623 45.100 -0.168 0.000 0.771 237 G HN 0.430 nan 8.290 nan 0.000 0.545 238 E N -0.547 119.599 120.200 -0.090 0.000 2.110 238 E HA -0.164 4.186 4.350 0.000 0.000 0.193 238 E C 2.173 178.809 176.600 0.059 0.000 0.988 238 E CA 0.784 57.156 56.400 -0.048 0.000 0.804 238 E CB -0.276 29.400 29.700 -0.040 0.000 0.745 238 E HN 0.554 nan 8.360 nan 0.000 0.458 239 H N 0.722 119.824 119.070 0.053 0.000 2.326 239 H HA -0.028 4.528 4.556 0.000 0.000 0.301 239 H C 2.090 177.576 175.328 0.263 0.000 1.081 239 H CA 1.291 57.440 56.048 0.167 0.000 1.334 239 H CB 0.050 29.882 29.762 0.116 0.000 1.385 239 H HN 0.140 nan 8.280 nan 0.000 0.504 240 M N 0.371 120.152 119.600 0.302 0.000 2.117 240 M HA -0.166 4.314 4.480 0.000 0.000 0.262 240 M C 2.441 178.906 176.300 0.274 0.000 1.065 240 M CA 1.801 57.287 55.300 0.310 0.000 1.114 240 M CB -0.212 32.637 32.600 0.416 0.000 1.361 240 M HN 0.326 nan 8.290 nan 0.000 0.408 241 E N 0.575 120.929 120.200 0.256 0.000 2.106 241 E HA -0.203 4.147 4.350 0.000 0.000 0.192 241 E C 1.569 178.200 176.600 0.052 0.000 0.984 241 E CA 1.185 57.707 56.400 0.203 0.000 0.806 241 E CB 0.112 29.865 29.700 0.090 0.000 0.750 241 E HN 0.525 nan 8.360 nan 0.000 0.458 242 E N -0.889 119.294 120.200 -0.028 0.000 2.347 242 E HA -0.118 4.232 4.350 0.000 0.000 0.196 242 E C 0.290 176.658 176.600 -0.387 0.000 1.008 242 E CA 0.576 56.854 56.400 -0.202 0.000 0.852 242 E CB 0.084 29.628 29.700 -0.260 0.000 0.783 242 E HN 0.377 nan 8.360 nan 0.000 0.505 243 H N -1.339 117.646 119.070 -0.142 0.000 2.507 243 H HA 0.294 4.850 4.556 0.000 0.000 0.281 243 H C 0.744 176.046 175.328 -0.043 0.000 1.160 243 H CA 0.270 56.244 56.048 -0.124 0.000 0.981 243 H CB 0.814 30.451 29.762 -0.209 0.000 1.665 243 H HN 0.245 nan 8.280 nan 0.000 0.554 244 G N 0.312 109.127 108.800 0.025 0.000 2.345 244 G HA2 -0.277 3.683 3.960 0.000 0.000 0.218 244 G HA3 -0.277 3.683 3.960 0.000 0.000 0.218 244 G C 0.371 175.290 174.900 0.030 0.000 1.058 244 G CA -0.172 44.943 45.100 0.025 0.000 0.632 244 G HN 0.340 nan 8.290 nan 0.000 0.508 245 I N 2.344 122.948 120.570 0.056 0.000 2.598 245 I HA 0.226 4.396 4.170 0.000 0.000 0.284 245 I C 0.702 176.822 176.117 0.005 0.000 1.140 245 I CA 0.268 61.565 61.300 -0.004 0.000 1.420 245 I CB 0.746 38.742 38.000 -0.006 0.000 1.387 245 I HN 0.071 nan 8.210 nan 0.000 0.553 246 K N 6.089 126.433 120.400 -0.092 0.000 2.143 246 K HA 0.529 4.849 4.320 0.000 0.000 0.272 246 K C -1.117 175.363 176.600 -0.199 0.000 1.001 246 K CA -0.359 55.907 56.287 -0.036 0.000 0.915 246 K CB 1.186 33.673 32.500 -0.022 0.000 1.047 246 K HN 0.277 nan 8.250 nan 0.000 0.458 247 F N 2.507 122.458 119.950 0.002 0.000 2.493 247 F HA 0.422 4.949 4.527 0.000 0.000 0.329 247 F C -0.030 175.774 175.800 0.007 0.000 1.126 247 F CA -0.791 57.213 58.000 0.006 0.000 0.937 247 F CB 1.185 40.192 39.000 0.012 0.000 1.146 247 F HN 0.197 nan 8.300 nan 0.000 0.442 248 I N 5.198 125.851 120.570 0.138 0.000 2.355 248 I HA 0.413 4.583 4.170 0.000 0.000 0.288 248 I C -0.460 175.783 176.117 0.209 0.000 0.999 248 I CA -0.886 60.475 61.300 0.102 0.000 1.163 248 I CB 0.814 38.788 38.000 -0.043 0.000 1.316 248 I HN 0.382 nan 8.210 nan 0.000 0.454 249 R N 4.852 125.504 120.500 0.253 0.000 2.407 249 R HA 0.400 4.740 4.340 0.000 0.000 0.303 249 R C -0.236 176.244 176.300 0.299 0.000 0.981 249 R CA -0.786 55.457 56.100 0.239 0.000 0.905 249 R CB 1.011 31.404 30.300 0.155 0.000 1.099 249 R HN 0.569 nan 8.270 nan 0.000 0.459 250 Q N 0.548 120.453 119.800 0.175 0.000 2.464 250 Q HA -0.205 4.135 4.340 0.000 0.000 0.304 250 Q C -1.345 174.599 176.000 -0.093 0.000 1.401 250 Q CA 0.850 56.671 55.803 0.030 0.000 0.806 250 Q CB -1.339 27.370 28.738 -0.049 0.000 1.134 250 Q HN 0.439 nan 8.270 nan 0.000 0.411 251 F N -1.191 118.776 119.950 0.029 0.000 2.601 251 F HA 0.720 5.247 4.527 0.000 0.000 0.309 251 F C -0.116 175.695 175.800 0.018 0.000 1.089 251 F CA -0.982 57.033 58.000 0.024 0.000 0.940 251 F CB 1.895 40.912 39.000 0.028 0.000 1.273 251 F HN -0.167 nan 8.300 nan 0.000 0.450 252 V N 2.768 122.792 119.914 0.183 0.000 2.709 252 V HA 0.473 4.593 4.120 0.000 0.000 0.308 252 V C -2.495 173.671 176.094 0.120 0.000 1.062 252 V CA -2.313 60.055 62.300 0.113 0.000 0.901 252 V CB 2.128 33.986 31.823 0.059 0.000 1.003 252 V HN 0.446 nan 8.190 nan 0.000 0.425 253 P HA 0.248 nan 4.420 nan 0.000 0.268 253 P C 0.654 177.997 177.300 0.073 0.000 1.204 253 P CA 0.134 63.282 63.100 0.079 0.000 0.768 253 P CB 0.498 32.227 31.700 0.048 0.000 0.842 254 I N -0.438 120.178 120.570 0.077 0.000 4.181 254 I HA 0.412 4.582 4.170 0.000 0.000 0.331 254 I C 0.399 176.554 176.117 0.064 0.000 1.312 254 I CA 0.230 61.569 61.300 0.065 0.000 1.146 254 I CB 0.286 38.324 38.000 0.062 0.000 1.074 254 I HN 0.125 nan 8.210 nan 0.000 0.402 255 K N 1.226 121.669 120.400 0.071 0.000 2.569 255 K HA 0.589 4.909 4.320 0.000 0.000 0.259 255 K C -1.937 174.716 176.600 0.089 0.000 0.932 255 K CA -0.553 55.780 56.287 0.077 0.000 0.833 255 K CB 3.056 35.597 32.500 0.068 0.000 1.340 255 K HN -0.060 nan 8.250 nan 0.000 0.429 256 V N 3.834 123.818 119.914 0.118 0.000 2.487 256 V HA 0.453 4.573 4.120 0.000 0.000 0.298 256 V C -0.899 175.304 176.094 0.182 0.000 1.028 256 V CA -0.617 61.767 62.300 0.141 0.000 0.860 256 V CB 1.578 33.504 31.823 0.173 0.000 0.991 256 V HN 0.849 nan 8.190 nan 0.000 0.427 257 E N 3.449 123.698 120.200 0.080 0.000 2.317 257 E HA 0.526 4.876 4.350 0.000 0.000 0.270 257 E C -1.089 175.374 176.600 -0.227 0.000 0.885 257 E CA -1.010 55.386 56.400 -0.006 0.000 0.760 257 E CB 2.595 32.306 29.700 0.018 0.000 1.227 257 E HN 0.591 nan 8.360 nan 0.000 0.434 258 Q N 2.507 121.998 119.800 -0.514 0.000 2.314 258 Q HA 0.201 4.541 4.340 0.000 0.000 0.257 258 Q C 0.187 176.034 176.000 -0.255 0.000 0.975 258 Q CA -0.080 55.390 55.803 -0.554 0.000 0.933 258 Q CB 0.735 28.946 28.738 -0.878 0.000 1.195 258 Q HN 0.735 nan 8.270 nan 0.000 0.426 259 I N 2.420 122.884 120.570 -0.177 0.000 2.277 259 I HA -0.053 4.117 4.170 0.000 0.000 0.243 259 I C 0.355 176.408 176.117 -0.107 0.000 1.094 259 I CA 1.039 62.272 61.300 -0.113 0.000 1.393 259 I CB 0.224 38.171 38.000 -0.089 0.000 1.078 259 I HN 0.618 nan 8.210 nan 0.000 0.417 260 E N 0.006 120.134 120.200 -0.120 0.000 2.304 260 E HA 0.532 4.882 4.350 0.000 0.000 0.277 260 E C -1.148 175.385 176.600 -0.111 0.000 0.898 260 E CA -0.625 55.716 56.400 -0.098 0.000 0.764 260 E CB 2.424 32.076 29.700 -0.081 0.000 1.216 260 E HN 0.158 nan 8.360 nan 0.000 0.419 261 A N 1.777 124.544 122.820 -0.089 0.000 2.332 261 A HA 0.840 5.160 4.320 0.000 0.000 0.258 261 A C 0.438 177.968 177.584 -0.089 0.000 1.087 261 A CA 0.780 52.772 52.037 -0.076 0.000 0.802 261 A CB 0.742 19.721 19.000 -0.035 0.000 1.042 261 A HN 0.720 nan 8.150 nan 0.000 0.489 262 G N -1.153 107.578 108.800 -0.116 0.000 2.336 262 G HA2 0.527 4.487 3.960 0.000 0.000 0.286 262 G HA3 0.527 4.487 3.960 0.000 0.000 0.286 262 G C -0.577 174.129 174.900 -0.323 0.000 1.269 262 G CA 0.350 45.349 45.100 -0.169 0.000 0.873 262 G HN 1.731 nan 8.290 nan 0.000 0.494 263 T N -0.466 113.826 114.554 -0.436 0.000 3.446 263 T HA 0.621 4.971 4.350 0.000 0.000 0.289 263 T C -2.857 171.430 174.700 -0.687 0.000 1.203 263 T CA -0.820 60.731 62.100 -0.915 0.000 1.645 263 T CB 1.591 70.152 68.868 -0.513 0.000 0.841 263 T HN 0.579 nan 8.240 nan 0.000 0.617 264 P HA 0.573 nan 4.420 nan 0.000 0.282 264 P C 0.635 177.771 177.300 -0.274 0.000 1.259 264 P CA -0.143 62.648 63.100 -0.515 0.000 0.826 264 P CB 1.417 33.025 31.700 -0.153 0.000 1.064 265 G N 1.657 110.332 108.800 -0.209 0.000 2.531 265 G HA2 0.408 4.369 3.960 0.000 0.000 0.253 265 G HA3 0.408 4.369 3.960 0.000 0.000 0.253 265 G C -0.526 174.316 174.900 -0.096 0.000 1.439 265 G CA -0.779 44.239 45.100 -0.136 0.000 1.056 265 G HN 0.468 nan 8.290 nan 0.000 0.555 266 R N -0.734 119.711 120.500 -0.092 0.000 2.480 266 R HA 0.503 4.843 4.340 0.000 0.000 0.306 266 R C -1.190 175.058 176.300 -0.086 0.000 0.958 266 R CA -0.480 55.575 56.100 -0.075 0.000 0.861 266 R CB 1.833 32.087 30.300 -0.078 0.000 1.171 266 R HN 0.266 nan 8.270 nan 0.000 0.445 267 L N 2.145 123.342 121.223 -0.044 0.000 2.362 267 L HA 0.602 4.942 4.340 0.000 0.000 0.271 267 L C -0.076 176.800 176.870 0.009 0.000 1.002 267 L CA -0.992 53.822 54.840 -0.044 0.000 0.818 267 L CB 2.240 44.297 42.059 -0.004 0.000 1.298 267 L HN 0.415 nan 8.230 nan 0.000 0.420 268 R N 1.792 122.288 120.500 -0.006 0.000 2.294 268 R HA 0.663 5.003 4.340 0.000 0.000 0.319 268 R C -1.574 174.769 176.300 0.070 0.000 0.984 268 R CA -0.482 55.632 56.100 0.024 0.000 0.861 268 R CB 1.523 31.819 30.300 -0.008 0.000 1.104 268 R HN 0.477 nan 8.270 nan 0.000 0.451 269 V N 5.622 125.610 119.914 0.123 0.000 2.384 269 V HA 0.299 4.419 4.120 0.000 0.000 0.287 269 V C -0.281 175.868 176.094 0.092 0.000 1.020 269 V CA -0.815 61.556 62.300 0.117 0.000 0.850 269 V CB 1.625 33.533 31.823 0.143 0.000 0.987 269 V HN 0.521 nan 8.190 nan 0.000 0.436 270 V N 4.125 124.084 119.914 0.075 0.000 2.394 270 V HA 0.841 4.962 4.120 0.000 0.000 0.282 270 V C 0.419 176.569 176.094 0.092 0.000 1.031 270 V CA -0.294 62.050 62.300 0.072 0.000 0.881 270 V CB 1.340 33.201 31.823 0.063 0.000 0.982 270 V HN 0.999 nan 8.190 nan 0.000 0.451 271 A N 4.286 127.177 122.820 0.119 0.000 2.386 271 A HA 0.821 5.141 4.320 0.000 0.000 0.311 271 A C -0.728 177.044 177.584 0.314 0.000 1.068 271 A CA -0.717 51.437 52.037 0.195 0.000 0.743 271 A CB 1.839 20.953 19.000 0.190 0.000 1.258 271 A HN 0.812 nan 8.150 nan 0.000 0.429 272 Q N 1.160 121.118 119.800 0.264 0.000 2.309 272 Q HA 0.580 4.921 4.340 0.000 0.000 0.264 272 Q C 0.002 175.948 176.000 -0.089 0.000 1.008 272 Q CA -0.374 55.522 55.803 0.155 0.000 0.853 272 Q CB 1.635 30.409 28.738 0.060 0.000 1.314 272 Q HN 0.897 nan 8.270 nan 0.000 0.448 273 S N 1.214 116.653 115.700 -0.435 0.000 2.573 273 S HA 0.030 4.500 4.470 0.000 0.000 0.277 273 S C 0.931 175.286 174.600 -0.408 0.000 1.346 273 S CA 0.379 58.033 58.200 -0.910 0.000 1.034 273 S CB 0.595 63.356 63.200 -0.731 0.000 0.879 273 S HN 0.830 nan 8.310 nan 0.000 0.528 274 T N 0.688 115.022 114.554 -0.366 0.000 3.014 274 T HA 0.017 4.367 4.350 0.000 0.000 0.263 274 T C 1.084 175.705 174.700 -0.131 0.000 1.078 274 T CA 0.883 62.876 62.100 -0.178 0.000 1.135 274 T CB -0.456 68.335 68.868 -0.129 0.000 0.895 274 T HN 0.824 nan 8.240 nan 0.000 0.480 275 N N 0.864 119.473 118.700 -0.151 0.000 2.177 275 N HA 0.155 4.895 4.740 0.000 0.000 0.218 275 N C 0.202 175.660 175.510 -0.087 0.000 1.182 275 N CA -0.106 52.887 53.050 -0.095 0.000 0.882 275 N CB 0.819 39.261 38.487 -0.075 0.000 1.052 275 N HN 0.519 nan 8.380 nan 0.000 0.519 276 S N 0.252 115.884 115.700 -0.112 0.000 2.776 276 S HA 0.338 4.808 4.470 0.000 0.000 0.292 276 S C -0.543 174.014 174.600 -0.070 0.000 1.187 276 S CA -0.660 57.495 58.200 -0.076 0.000 0.834 276 S CB 1.557 64.719 63.200 -0.063 0.000 1.199 276 S HN 0.025 nan 8.310 nan 0.000 0.514 277 E N 0.246 120.425 120.200 -0.034 0.000 2.437 277 E HA 0.256 4.606 4.350 0.000 0.000 0.189 277 E C 0.055 176.660 176.600 0.009 0.000 1.054 277 E CA -0.210 56.181 56.400 -0.014 0.000 0.874 277 E CB -0.030 29.669 29.700 -0.001 0.000 1.011 277 E HN 0.649 nan 8.360 nan 0.000 0.474 278 E N 1.295 121.500 120.200 0.008 0.000 2.414 278 E HA 0.092 4.442 4.350 0.000 0.000 0.263 278 E C -0.540 176.154 176.600 0.158 0.000 1.000 278 E CA 0.108 56.555 56.400 0.079 0.000 0.914 278 E CB 0.509 30.276 29.700 0.112 0.000 0.948 278 E HN 0.175 nan 8.360 nan 0.000 0.444 279 I N 5.961 126.639 120.570 0.181 0.000 2.509 279 I HA 0.375 4.545 4.170 0.000 0.000 0.293 279 I C -0.100 176.126 176.117 0.181 0.000 1.020 279 I CA -0.857 60.566 61.300 0.205 0.000 1.088 279 I CB 1.525 39.592 38.000 0.112 0.000 1.267 279 I HN 0.475 nan 8.210 nan 0.000 0.430 280 I N 1.919 122.580 120.570 0.151 0.000 2.785 280 I HA 0.638 4.808 4.170 0.000 0.000 0.302 280 I C -1.032 175.080 176.117 -0.008 0.000 1.069 280 I CA -0.640 60.657 61.300 -0.006 0.000 1.045 280 I CB 2.304 40.183 38.000 -0.202 0.000 1.236 280 I HN 0.462 nan 8.210 nan 0.000 0.429 281 E N 2.198 122.384 120.200 -0.023 0.000 2.244 281 E HA 0.744 5.094 4.350 0.000 0.000 0.266 281 E C -0.672 175.907 176.600 -0.035 0.000 0.914 281 E CA -1.115 55.280 56.400 -0.009 0.000 0.794 281 E CB 2.527 32.220 29.700 -0.012 0.000 1.210 281 E HN 0.964 nan 8.360 nan 0.000 0.414 282 G N 1.017 109.813 108.800 -0.007 0.000 2.718 282 G HA2 0.433 4.393 3.960 0.000 0.000 0.295 282 G HA3 0.433 4.393 3.960 0.000 0.000 0.295 282 G C -1.517 173.277 174.900 -0.177 0.000 1.421 282 G CA -0.712 44.314 45.100 -0.124 0.000 0.902 282 G HN 0.541 nan 8.290 nan 0.000 0.501 283 E N -0.094 119.857 120.200 -0.415 0.000 2.199 283 E HA 0.710 5.060 4.350 0.000 0.000 0.269 283 E C -1.694 174.557 176.600 -0.582 0.000 0.899 283 E CA -0.851 55.360 56.400 -0.315 0.000 0.772 283 E CB 1.992 31.587 29.700 -0.175 0.000 1.155 283 E HN 0.465 nan 8.360 nan 0.000 0.408 284 Y N 1.583 121.849 120.300 -0.057 0.000 2.605 284 Y HA 0.292 4.842 4.550 0.000 0.000 0.343 284 Y C 0.637 176.502 175.900 -0.057 0.000 1.036 284 Y CA -0.951 57.115 58.100 -0.057 0.000 1.065 284 Y CB 2.029 40.456 38.460 -0.055 0.000 1.288 284 Y HN 0.572 nan 8.280 nan 0.000 0.481 285 N N -0.678 118.083 118.700 0.102 0.000 2.290 285 N HA 0.033 4.773 4.740 0.000 0.000 0.179 285 N C -0.518 175.023 175.510 0.051 0.000 1.016 285 N CA 1.043 54.114 53.050 0.034 0.000 0.871 285 N CB 0.314 38.801 38.487 0.001 0.000 0.987 285 N HN 0.462 nan 8.380 nan 0.000 0.431 286 T N 0.185 114.776 114.554 0.062 0.000 2.912 286 T HA 0.491 4.841 4.350 0.000 0.000 0.299 286 T C -1.143 173.545 174.700 -0.020 0.000 1.052 286 T CA -0.562 61.559 62.100 0.035 0.000 0.996 286 T CB 2.861 71.730 68.868 0.002 0.000 1.070 286 T HN -0.350 nan 8.240 nan 0.000 0.465 287 V N 3.830 123.727 119.914 -0.028 0.000 2.444 287 V HA 0.497 4.617 4.120 0.000 0.000 0.294 287 V C -0.420 175.621 176.094 -0.088 0.000 1.022 287 V CA -0.674 61.565 62.300 -0.101 0.000 0.850 287 V CB 1.721 33.504 31.823 -0.068 0.000 0.992 287 V HN 0.818 nan 8.190 nan 0.000 0.426 288 M N 5.876 125.392 119.600 -0.139 0.000 2.205 288 M HA 0.563 5.043 4.480 0.000 0.000 0.344 288 M C -1.292 174.915 176.300 -0.154 0.000 1.085 288 M CA -0.642 54.575 55.300 -0.138 0.000 1.001 288 M CB 1.458 33.963 32.600 -0.158 0.000 1.626 288 M HN 0.487 nan 8.290 nan 0.000 0.442 289 L N 4.434 125.552 121.223 -0.175 0.000 2.264 289 L HA 0.488 4.828 4.340 0.000 0.000 0.287 289 L C 0.163 176.914 176.870 -0.198 0.000 1.039 289 L CA -0.455 54.266 54.840 -0.199 0.000 0.829 289 L CB 1.063 42.953 42.059 -0.283 0.000 1.211 289 L HN 0.797 nan 8.230 nan 0.000 0.427 290 A N 5.030 127.762 122.820 -0.148 0.000 3.218 290 A HA 0.456 4.776 4.320 0.000 0.000 0.321 290 A C 0.524 178.049 177.584 -0.099 0.000 1.012 290 A CA -0.351 51.609 52.037 -0.127 0.000 0.948 290 A CB -0.271 18.658 19.000 -0.118 0.000 1.050 290 A HN 0.836 nan 8.150 nan 0.000 0.492 291 I N -2.912 117.602 120.570 -0.093 0.000 3.889 291 I HA 0.639 4.809 4.170 0.000 0.000 0.332 291 I C 0.555 176.651 176.117 -0.035 0.000 1.493 291 I CA 0.195 61.463 61.300 -0.053 0.000 1.158 291 I CB 0.149 38.124 38.000 -0.041 0.000 1.117 291 I HN 0.556 nan 8.210 nan 0.000 0.411 292 G N 1.403 110.174 108.800 -0.048 0.000 2.434 292 G HA2 0.027 3.987 3.960 0.000 0.000 0.671 292 G HA3 0.027 3.987 3.960 0.000 0.000 0.671 292 G C -1.071 173.824 174.900 -0.008 0.000 1.280 292 G CA -1.108 43.979 45.100 -0.022 0.000 0.975 292 G HN 0.419 nan 8.290 nan 0.000 0.510 293 R N -0.123 120.390 120.500 0.022 0.000 2.725 293 R HA 0.570 4.910 4.340 0.000 0.000 0.277 293 R C -1.724 174.614 176.300 0.062 0.000 0.987 293 R CA -1.038 55.090 56.100 0.047 0.000 0.901 293 R CB 2.111 32.443 30.300 0.054 0.000 1.207 293 R HN 0.496 nan 8.270 nan 0.000 0.463 294 D N 1.222 121.669 120.400 0.078 0.000 2.192 294 D HA 0.319 4.959 4.640 0.000 0.000 0.246 294 D C -0.343 176.009 176.300 0.086 0.000 1.042 294 D CA -0.432 53.615 54.000 0.079 0.000 0.847 294 D CB 1.950 42.800 40.800 0.085 0.000 1.186 294 D HN 0.590 nan 8.370 nan 0.000 0.461 295 A N 1.220 124.085 122.820 0.075 0.000 2.477 295 A HA 0.153 4.473 4.320 0.000 0.000 0.246 295 A C 0.443 178.079 177.584 0.086 0.000 1.078 295 A CA -0.301 51.782 52.037 0.076 0.000 0.770 295 A CB 0.090 19.127 19.000 0.061 0.000 1.011 295 A HN 0.736 nan 8.150 nan 0.000 0.494 296 C N 2.921 122.278 119.300 0.095 0.000 2.865 296 C HA 0.333 4.793 4.460 0.000 0.000 0.545 296 C C 1.740 176.786 174.990 0.093 0.000 1.154 296 C CA 0.296 59.380 59.018 0.110 0.000 1.375 296 C CB -2.175 25.643 27.740 0.130 0.000 1.627 296 C HN 0.916 nan 8.230 nan 0.000 0.623 297 T N -2.989 111.613 114.554 0.081 0.000 3.040 297 T HA 0.105 4.455 4.350 0.000 0.000 0.266 297 T C 1.646 176.389 174.700 0.071 0.000 1.005 297 T CA -0.079 62.063 62.100 0.069 0.000 0.906 297 T CB 0.021 68.920 68.868 0.051 0.000 1.082 297 T HN 0.440 nan 8.240 nan 0.000 0.531 298 R N 1.491 122.039 120.500 0.080 0.000 2.156 298 R HA 0.161 4.501 4.340 0.000 0.000 0.207 298 R C 0.841 177.192 176.300 0.086 0.000 1.040 298 R CA 0.390 56.532 56.100 0.071 0.000 1.013 298 R CB -0.049 30.289 30.300 0.064 0.000 0.931 298 R HN 0.227 nan 8.270 nan 0.000 0.465 299 K N 1.384 121.857 120.400 0.122 0.000 2.832 299 K HA 0.309 4.629 4.320 0.000 0.000 0.211 299 K C 0.891 177.614 176.600 0.204 0.000 1.112 299 K CA -0.042 56.336 56.287 0.151 0.000 1.108 299 K CB -0.230 32.365 32.500 0.158 0.000 0.899 299 K HN 0.409 nan 8.250 nan 0.000 0.464 300 I N -3.960 116.695 120.570 0.141 0.000 3.817 300 I HA 0.465 4.635 4.170 0.000 0.000 0.325 300 I C 0.784 176.999 176.117 0.164 0.000 1.550 300 I CA -0.287 61.073 61.300 0.100 0.000 1.100 300 I CB 0.535 38.542 38.000 0.012 0.000 1.216 300 I HN 0.319 nan 8.210 nan 0.000 0.481 301 G N 2.164 111.053 108.800 0.148 0.000 2.198 301 G HA2 -0.271 3.689 3.960 0.000 0.000 0.260 301 G HA3 -0.271 3.689 3.960 0.000 0.000 0.260 301 G C 0.636 175.617 174.900 0.135 0.000 1.025 301 G CA 0.573 45.764 45.100 0.152 0.000 0.769 301 G HN 0.499 nan 8.290 nan 0.000 0.507 302 L N -0.606 120.666 121.223 0.083 0.000 2.187 302 L HA -0.128 4.212 4.340 0.000 0.000 0.213 302 L C 2.802 179.605 176.870 -0.113 0.000 1.100 302 L CA 2.122 56.922 54.840 -0.066 0.000 0.765 302 L CB -0.329 41.700 42.059 -0.050 0.000 0.904 302 L HN 0.474 nan 8.230 nan 0.000 0.437 303 E N -0.582 119.591 120.200 -0.045 0.000 2.110 303 E HA -0.203 4.147 4.350 0.000 0.000 0.193 303 E C 2.015 178.581 176.600 -0.056 0.000 0.988 303 E CA 1.669 58.041 56.400 -0.047 0.000 0.804 303 E CB -1.008 28.682 29.700 -0.016 0.000 0.745 303 E HN 0.506 nan 8.360 nan 0.000 0.458 304 T N -1.854 112.678 114.554 -0.037 0.000 2.977 304 T HA -0.055 4.295 4.350 0.000 0.000 0.271 304 T C 1.703 176.359 174.700 -0.073 0.000 1.105 304 T CA 1.036 63.123 62.100 -0.022 0.000 1.116 304 T CB -0.051 68.840 68.868 0.037 0.000 0.878 304 T HN 0.123 nan 8.240 nan 0.000 0.509 305 V N -0.470 119.332 119.914 -0.185 0.000 3.451 305 V HA 0.574 4.694 4.120 0.000 0.000 0.288 305 V C 1.429 177.360 176.094 -0.272 0.000 1.502 305 V CA 0.606 62.737 62.300 -0.281 0.000 1.026 305 V CB 0.085 31.524 31.823 -0.639 0.000 0.840 305 V HN 0.786 nan 8.190 nan 0.000 0.437 306 G N 0.699 109.370 108.800 -0.214 0.000 2.132 306 G HA2 -0.193 3.767 3.960 0.000 0.000 0.234 306 G HA3 -0.193 3.767 3.960 0.000 0.000 0.234 306 G C 0.139 174.922 174.900 -0.195 0.000 0.989 306 G CA 0.219 45.219 45.100 -0.166 0.000 0.676 306 G HN 0.627 nan 8.290 nan 0.000 0.522 307 V N 2.134 121.897 119.914 -0.252 0.000 2.508 307 V HA 0.272 4.392 4.120 0.000 0.000 0.281 307 V C 0.897 176.903 176.094 -0.147 0.000 1.041 307 V CA -0.132 62.029 62.300 -0.232 0.000 1.016 307 V CB 1.210 32.869 31.823 -0.273 0.000 0.984 307 V HN 0.286 nan 8.190 nan 0.000 0.478 308 K N 6.585 126.912 120.400 -0.122 0.000 2.249 308 K HA 0.554 4.874 4.320 0.000 0.000 0.280 308 K C -0.293 176.265 176.600 -0.069 0.000 1.033 308 K CA -0.178 56.059 56.287 -0.084 0.000 0.946 308 K CB 1.623 34.078 32.500 -0.075 0.000 1.005 308 K HN 0.741 nan 8.250 nan 0.000 0.469 309 I N -1.019 119.522 120.570 -0.048 0.000 3.042 309 I HA 0.350 4.520 4.170 0.000 0.000 0.310 309 I C -0.567 175.535 176.117 -0.024 0.000 1.117 309 I CA -1.079 60.201 61.300 -0.033 0.000 1.003 309 I CB 2.137 40.125 38.000 -0.020 0.000 1.228 309 I HN 0.332 nan 8.210 nan 0.000 0.443 310 N N 3.426 122.115 118.700 -0.018 0.000 2.406 310 N HA 0.039 4.779 4.740 0.000 0.000 0.265 310 N C 0.688 176.195 175.510 -0.004 0.000 1.203 310 N CA 0.189 53.231 53.050 -0.012 0.000 0.945 310 N CB 0.710 39.191 38.487 -0.011 0.000 1.165 310 N HN 0.605 nan 8.380 nan 0.000 0.485 311 E N 3.370 123.567 120.200 -0.004 0.000 2.150 311 E HA -0.188 4.162 4.350 0.000 0.000 0.193 311 E C 1.222 177.826 176.600 0.007 0.000 0.985 311 E CA 0.875 57.276 56.400 0.001 0.000 0.814 311 E CB 0.192 29.891 29.700 -0.001 0.000 0.752 311 E HN 0.667 nan 8.360 nan 0.000 0.466 312 K N 0.614 121.017 120.400 0.005 0.000 1.984 312 K HA -0.098 4.222 4.320 0.000 0.000 0.209 312 K C 2.164 178.773 176.600 0.014 0.000 1.046 312 K CA 1.925 58.218 56.287 0.009 0.000 0.934 312 K CB -0.032 32.471 32.500 0.006 0.000 0.717 312 K HN 0.192 nan 8.250 nan 0.000 0.438 313 T N -3.604 110.957 114.554 0.012 0.000 3.065 313 T HA 0.202 4.552 4.350 0.000 0.000 0.252 313 T C 1.354 176.067 174.700 0.023 0.000 1.099 313 T CA 0.691 62.801 62.100 0.018 0.000 1.063 313 T CB 0.430 69.306 68.868 0.014 0.000 0.948 313 T HN 0.477 nan 8.240 nan 0.000 0.506 314 G N 1.522 110.333 108.800 0.020 0.000 2.234 314 G HA2 -0.240 3.720 3.960 0.000 0.000 0.260 314 G HA3 -0.240 3.720 3.960 0.000 0.000 0.260 314 G C 0.203 175.116 174.900 0.022 0.000 0.987 314 G CA 0.196 45.311 45.100 0.025 0.000 0.625 314 G HN 0.614 nan 8.290 nan 0.000 0.532 315 K N 0.335 120.744 120.400 0.014 0.000 2.168 315 K HA 0.521 4.841 4.320 0.000 0.000 0.258 315 K C 0.609 177.206 176.600 -0.004 0.000 1.010 315 K CA -0.321 55.971 56.287 0.009 0.000 0.929 315 K CB 0.930 33.431 32.500 0.003 0.000 0.998 315 K HN 0.319 nan 8.250 nan 0.000 0.479 316 I N 4.539 125.104 120.570 -0.008 0.000 2.328 316 I HA 0.149 4.319 4.170 0.000 0.000 0.287 316 I C -1.983 174.111 176.117 -0.038 0.000 1.012 316 I CA -2.299 58.988 61.300 -0.023 0.000 1.195 316 I CB 1.564 39.554 38.000 -0.017 0.000 1.350 316 I HN 0.192 nan 8.210 nan 0.000 0.464 317 P HA 0.138 nan 4.420 nan 0.000 0.271 317 P C -0.651 176.608 177.300 -0.067 0.000 1.216 317 P CA 0.015 63.081 63.100 -0.057 0.000 0.776 317 P CB 2.031 33.698 31.700 -0.055 0.000 0.881 318 V N 1.949 121.822 119.914 -0.070 0.000 3.087 318 V HA 0.354 4.474 4.120 0.000 0.000 0.306 318 V C 0.283 176.341 176.094 -0.060 0.000 1.187 318 V CA -0.485 61.775 62.300 -0.067 0.000 0.999 318 V CB 2.527 34.322 31.823 -0.047 0.000 1.049 318 V HN 0.811 nan 8.190 nan 0.000 0.431 319 T N 0.169 114.693 114.554 -0.049 0.000 2.766 319 T HA 0.146 4.496 4.350 0.000 0.000 0.295 319 T C 0.874 175.572 174.700 -0.002 0.000 1.024 319 T CA 0.401 62.484 62.100 -0.028 0.000 1.018 319 T CB 0.592 69.447 68.868 -0.022 0.000 1.002 319 T HN 0.881 nan 8.240 nan 0.000 0.532 320 D N -1.053 119.354 120.400 0.011 0.000 2.403 320 D HA -0.086 4.554 4.640 0.000 0.000 0.227 320 D C 0.959 177.311 176.300 0.086 0.000 0.995 320 D CA 0.607 54.634 54.000 0.046 0.000 0.928 320 D CB -0.278 40.549 40.800 0.045 0.000 0.887 320 D HN 0.840 nan 8.370 nan 0.000 0.529 321 E N -0.468 119.781 120.200 0.082 0.000 2.624 321 E HA 0.082 4.432 4.350 0.000 0.000 0.210 321 E C -0.428 176.282 176.600 0.183 0.000 0.997 321 E CA -0.187 56.282 56.400 0.116 0.000 0.999 321 E CB 0.213 29.977 29.700 0.107 0.000 1.040 321 E HN -0.028 nan 8.360 nan 0.000 0.469 322 E N 0.392 120.680 120.200 0.147 0.000 2.971 322 E HA -0.256 4.094 4.350 0.000 0.000 0.278 322 E C -0.375 176.336 176.600 0.185 0.000 1.009 322 E CA 0.674 57.178 56.400 0.173 0.000 0.862 322 E CB -1.064 28.764 29.700 0.214 0.000 1.436 322 E HN 0.305 nan 8.360 nan 0.000 0.434 323 Q N 0.754 120.559 119.800 0.009 0.000 2.257 323 Q HA 0.362 4.702 4.340 0.000 0.000 0.255 323 Q C 0.470 176.314 176.000 -0.260 0.000 0.920 323 Q CA 0.145 55.734 55.803 -0.357 0.000 0.927 323 Q CB 0.893 29.414 28.738 -0.363 0.000 1.229 323 Q HN 0.297 nan 8.270 nan 0.000 0.433 324 T N 0.098 114.459 114.554 -0.322 0.000 2.729 324 T HA 0.054 4.404 4.350 0.000 0.000 0.298 324 T C 1.306 175.867 174.700 -0.232 0.000 1.013 324 T CA -0.070 61.891 62.100 -0.232 0.000 0.957 324 T CB 0.314 69.040 68.868 -0.237 0.000 1.130 324 T HN 0.803 nan 8.240 nan 0.000 0.526 325 N N -0.342 118.246 118.700 -0.187 0.000 2.364 325 N HA -0.081 4.659 4.740 0.000 0.000 0.183 325 N C 0.237 175.634 175.510 -0.188 0.000 1.022 325 N CA 0.389 53.343 53.050 -0.160 0.000 0.883 325 N CB -0.572 37.839 38.487 -0.126 0.000 0.965 325 N HN 0.391 nan 8.380 nan 0.000 0.438 326 V N 2.914 122.666 119.914 -0.271 0.000 2.348 326 V HA 0.164 4.284 4.120 0.000 0.000 0.270 326 V C -1.341 174.529 176.094 -0.373 0.000 1.037 326 V CA -1.282 60.821 62.300 -0.329 0.000 0.872 326 V CB 1.477 33.001 31.823 -0.498 0.000 1.002 326 V HN -0.025 nan 8.190 nan 0.000 0.464 327 P HA -0.192 nan 4.420 nan 0.000 0.216 327 P C 1.227 178.448 177.300 -0.132 0.000 1.150 327 P CA 1.609 64.625 63.100 -0.139 0.000 0.843 327 P CB -0.014 31.702 31.700 0.027 0.000 0.787 328 Y N -2.340 117.923 120.300 -0.062 0.000 2.511 328 Y HA 0.334 4.884 4.550 0.000 0.000 0.279 328 Y C 0.583 176.554 175.900 0.118 0.000 1.157 328 Y CA -0.542 57.604 58.100 0.077 0.000 1.300 328 Y CB -0.878 37.646 38.460 0.106 0.000 1.052 328 Y HN -0.179 nan 8.280 nan 0.000 0.529 329 I N 1.418 121.709 120.570 -0.465 0.000 2.354 329 I HA 0.272 4.442 4.170 0.000 0.000 0.292 329 I C -1.191 174.754 176.117 -0.286 0.000 0.989 329 I CA -0.815 60.323 61.300 -0.271 0.000 1.188 329 I CB 0.883 38.580 38.000 -0.507 0.000 1.342 329 I HN -0.044 nan 8.210 nan 0.000 0.457 330 Y N 4.218 124.524 120.300 0.010 0.000 2.509 330 Y HA 0.784 5.334 4.550 0.000 0.000 0.341 330 Y C 0.164 176.085 175.900 0.034 0.000 1.038 330 Y CA -0.833 57.274 58.100 0.012 0.000 1.089 330 Y CB 2.098 40.574 38.460 0.027 0.000 1.241 330 Y HN 0.539 nan 8.280 nan 0.000 0.468 331 A N 3.028 125.948 122.820 0.167 0.000 2.414 331 A HA 0.899 5.219 4.320 0.000 0.000 0.306 331 A C -1.157 176.498 177.584 0.119 0.000 1.054 331 A CA -0.650 51.457 52.037 0.117 0.000 0.724 331 A CB 0.977 20.012 19.000 0.058 0.000 1.267 331 A HN 0.748 nan 8.150 nan 0.000 0.418 332 I N -1.329 119.305 120.570 0.106 0.000 3.074 332 I HA 0.955 5.125 4.170 0.000 0.000 0.310 332 I C 0.350 176.523 176.117 0.093 0.000 1.153 332 I CA -0.329 61.035 61.300 0.107 0.000 0.993 332 I CB 2.071 40.136 38.000 0.107 0.000 1.237 332 I HN 1.885 nan 8.210 nan 0.000 0.443 333 G N 2.856 111.720 108.800 0.107 0.000 2.512 333 G HA2 -0.198 3.762 3.960 0.000 0.000 0.210 333 G HA3 -0.198 3.762 3.960 0.000 0.000 0.210 333 G C -0.173 174.782 174.900 0.092 0.000 1.295 333 G CA 0.369 45.528 45.100 0.098 0.000 0.934 333 G HN 0.772 nan 8.290 nan 0.000 0.554 334 D N -0.068 120.385 120.400 0.088 0.000 2.218 334 D HA -0.054 4.586 4.640 0.000 0.000 0.204 334 D C 2.604 178.945 176.300 0.068 0.000 0.976 334 D CA 0.878 54.929 54.000 0.086 0.000 0.853 334 D CB -0.066 40.792 40.800 0.096 0.000 0.939 334 D HN 0.324 nan 8.370 nan 0.000 0.481 335 I N 0.640 121.249 120.570 0.065 0.000 2.399 335 I HA -0.186 3.984 4.170 0.000 0.000 0.254 335 I C 0.751 176.887 176.117 0.032 0.000 1.146 335 I CA 0.428 61.759 61.300 0.052 0.000 1.412 335 I CB -0.892 37.142 38.000 0.057 0.000 1.076 335 I HN 0.007 nan 8.210 nan 0.000 0.432 336 L N 0.838 122.076 121.223 0.025 0.000 2.456 336 L HA 0.005 4.345 4.340 0.000 0.000 0.272 336 L C 0.928 177.782 176.870 -0.028 0.000 1.189 336 L CA 0.364 55.198 54.840 -0.010 0.000 0.846 336 L CB -0.284 41.756 42.059 -0.031 0.000 1.111 336 L HN 0.188 nan 8.230 nan 0.000 0.475 337 E N 2.932 123.105 120.200 -0.046 0.000 2.259 337 E HA 0.046 4.396 4.350 0.000 0.000 0.281 337 E C -0.513 176.042 176.600 -0.076 0.000 1.037 337 E CA -0.326 56.046 56.400 -0.047 0.000 0.854 337 E CB 0.258 29.932 29.700 -0.044 0.000 1.051 337 E HN 0.569 nan 8.360 nan 0.000 0.409 338 D N 2.907 123.272 120.400 -0.059 0.000 2.723 338 D HA -0.168 4.472 4.640 0.000 0.000 0.236 338 D C -0.305 175.924 176.300 -0.117 0.000 1.138 338 D CA 0.893 54.852 54.000 -0.069 0.000 0.676 338 D CB -0.382 40.377 40.800 -0.068 0.000 1.069 338 D HN 0.418 nan 8.370 nan 0.000 0.430 339 K N -0.856 119.471 120.400 -0.122 0.000 1.950 339 K HA 0.671 4.991 4.320 0.000 0.000 0.259 339 K C 0.403 177.001 176.600 -0.003 0.000 1.013 339 K CA -0.539 55.639 56.287 -0.182 0.000 1.147 339 K CB 0.571 32.844 32.500 -0.378 0.000 2.115 339 K HN -0.082 nan 8.250 nan 0.000 0.877 340 V N 2.046 122.032 119.914 0.120 0.000 2.487 340 V HA 0.245 4.365 4.120 0.000 0.000 0.298 340 V C -0.563 175.609 176.094 0.129 0.000 1.028 340 V CA -0.642 61.736 62.300 0.129 0.000 0.860 340 V CB 1.409 33.328 31.823 0.159 0.000 0.991 340 V HN 0.515 nan 8.190 nan 0.000 0.427 341 E N 5.803 126.066 120.200 0.105 0.000 2.122 341 E HA 0.501 4.851 4.350 0.000 0.000 0.288 341 E C -1.006 175.670 176.600 0.128 0.000 1.260 341 E CA -0.016 56.458 56.400 0.122 0.000 1.344 341 E CB 0.346 30.128 29.700 0.137 0.000 1.337 341 E HN 0.493 nan 8.360 nan 0.000 0.484 342 L N -0.155 121.129 121.223 0.102 0.000 2.409 342 L HA 0.290 4.630 4.340 0.000 0.000 0.262 342 L C 1.335 178.246 176.870 0.069 0.000 0.992 342 L CA -0.690 54.198 54.840 0.079 0.000 0.817 342 L CB 1.983 44.065 42.059 0.039 0.000 1.350 342 L HN 0.093 nan 8.230 nan 0.000 0.411 343 T N 0.901 115.493 114.554 0.064 0.000 2.635 343 T HA -0.098 4.252 4.350 0.000 0.000 0.267 343 T C -1.129 173.592 174.700 0.035 0.000 1.040 343 T CA 1.971 64.102 62.100 0.051 0.000 1.156 343 T CB -0.633 68.264 68.868 0.048 0.000 0.863 343 T HN 0.495 nan 8.240 nan 0.000 0.430 344 P HA 0.056 nan 4.420 nan 0.000 0.223 344 P C 1.456 178.747 177.300 -0.016 0.000 1.151 344 P CA 0.414 63.516 63.100 0.003 0.000 0.787 344 P CB -0.148 31.549 31.700 -0.004 0.000 0.788 345 V N 0.404 120.313 119.914 -0.009 0.000 2.323 345 V HA -0.205 3.915 4.120 0.000 0.000 0.244 345 V C 2.531 178.628 176.094 0.005 0.000 1.041 345 V CA 2.099 64.379 62.300 -0.033 0.000 1.025 345 V CB -1.724 30.110 31.823 0.019 0.000 0.656 345 V HN 0.094 nan 8.190 nan 0.000 0.451 346 A N 0.196 123.046 122.820 0.050 0.000 1.892 346 A HA -0.234 4.086 4.320 0.000 0.000 0.218 346 A C 2.196 179.801 177.584 0.035 0.000 1.188 346 A CA 2.249 54.322 52.037 0.060 0.000 0.631 346 A CB -0.625 18.412 19.000 0.061 0.000 0.822 346 A HN 0.512 nan 8.150 nan 0.000 0.447 347 I N -1.138 119.444 120.570 0.020 0.000 2.179 347 I HA -0.291 3.879 4.170 0.000 0.000 0.242 347 I C 2.811 178.928 176.117 -0.001 0.000 1.088 347 I CA 1.906 63.214 61.300 0.014 0.000 1.357 347 I CB -0.366 37.643 38.000 0.016 0.000 1.051 347 I HN 0.452 nan 8.210 nan 0.000 0.409 348 Q N 1.193 120.977 119.800 -0.026 0.000 2.084 348 Q HA -0.183 4.157 4.340 0.000 0.000 0.202 348 Q C 2.183 178.156 176.000 -0.045 0.000 0.978 348 Q CA 2.256 58.028 55.803 -0.050 0.000 0.844 348 Q CB -0.258 28.421 28.738 -0.098 0.000 0.898 348 Q HN 0.493 nan 8.270 nan 0.000 0.426 349 A N -0.221 122.577 122.820 -0.037 0.000 1.902 349 A HA -0.072 4.248 4.320 0.000 0.000 0.217 349 A C 2.263 179.860 177.584 0.022 0.000 1.181 349 A CA 1.656 53.699 52.037 0.010 0.000 0.623 349 A CB -1.382 17.672 19.000 0.091 0.000 0.818 349 A HN 0.571 nan 8.150 nan 0.000 0.443 350 G N -0.779 108.035 108.800 0.024 0.000 2.404 350 G HA2 -0.198 3.762 3.960 0.000 0.000 0.215 350 G HA3 -0.198 3.762 3.960 0.000 0.000 0.215 350 G C 1.777 176.687 174.900 0.016 0.000 1.174 350 G CA 0.801 45.915 45.100 0.022 0.000 0.780 350 G HN 0.517 nan 8.290 nan 0.000 0.537 351 R N -0.266 120.245 120.500 0.018 0.000 2.080 351 R HA 0.024 4.364 4.340 0.000 0.000 0.236 351 R C 2.680 178.991 176.300 0.019 0.000 1.137 351 R CA 1.211 57.329 56.100 0.029 0.000 0.943 351 R CB -0.583 29.730 30.300 0.021 0.000 0.846 351 R HN 0.322 nan 8.270 nan 0.000 0.431 352 L N 0.568 121.788 121.223 -0.006 0.000 2.141 352 L HA -0.182 4.158 4.340 0.000 0.000 0.209 352 L C 2.433 179.272 176.870 -0.051 0.000 1.094 352 L CA 0.445 55.272 54.840 -0.023 0.000 0.763 352 L CB -0.364 41.678 42.059 -0.029 0.000 0.908 352 L HN 0.208 nan 8.230 nan 0.000 0.437 353 L N 0.328 121.516 121.223 -0.059 0.000 2.017 353 L HA -0.132 4.208 4.340 0.000 0.000 0.208 353 L C 2.656 179.395 176.870 -0.219 0.000 1.073 353 L CA 2.066 56.822 54.840 -0.141 0.000 0.745 353 L CB -0.834 41.142 42.059 -0.138 0.000 0.894 353 L HN 0.129 nan 8.230 nan 0.000 0.432 354 A N -1.092 121.661 122.820 -0.112 0.000 1.908 354 A HA -0.291 4.029 4.320 0.000 0.000 0.218 354 A C 2.249 179.775 177.584 -0.095 0.000 1.181 354 A CA 2.063 54.073 52.037 -0.045 0.000 0.627 354 A CB -0.631 18.469 19.000 0.168 0.000 0.818 354 A HN 0.674 nan 8.150 nan 0.000 0.445 355 Q N -1.114 118.646 119.800 -0.067 0.000 2.123 355 Q HA -0.069 4.271 4.340 0.000 0.000 0.199 355 Q C 2.389 178.268 176.000 -0.202 0.000 0.966 355 Q CA 1.076 56.797 55.803 -0.135 0.000 0.845 355 Q CB -0.070 28.642 28.738 -0.043 0.000 0.907 355 Q HN 0.614 nan 8.270 nan 0.000 0.439 356 R N 0.034 120.424 120.500 -0.183 0.000 2.075 356 R HA -0.071 4.269 4.340 0.000 0.000 0.232 356 R C 2.214 178.359 176.300 -0.259 0.000 1.126 356 R CA 0.963 56.956 56.100 -0.179 0.000 0.963 356 R CB -0.178 30.042 30.300 -0.133 0.000 0.858 356 R HN 0.246 nan 8.270 nan 0.000 0.435 357 L N -0.971 119.989 121.223 -0.439 0.000 2.072 357 L HA -0.136 4.204 4.340 0.000 0.000 0.205 357 L C 1.240 177.761 176.870 -0.581 0.000 1.079 357 L CA 1.214 55.650 54.840 -0.673 0.000 0.752 357 L CB -0.043 41.256 42.059 -1.266 0.000 0.906 357 L HN 0.211 nan 8.230 nan 0.000 0.436 358 Y N -2.149 118.039 120.300 -0.188 0.000 2.527 358 Y HA 0.421 4.971 4.550 0.000 0.000 0.247 358 Y C 1.242 176.871 175.900 -0.451 0.000 1.138 358 Y CA -0.262 57.700 58.100 -0.229 0.000 1.228 358 Y CB 0.255 38.638 38.460 -0.128 0.000 1.252 358 Y HN -0.023 nan 8.280 nan 0.000 0.531 359 A N -0.771 121.806 122.820 -0.405 0.000 2.630 359 A HA 0.582 4.902 4.320 0.000 0.000 0.287 359 A C 1.660 179.110 177.584 -0.223 0.000 1.040 359 A CA 0.257 52.010 52.037 -0.474 0.000 0.971 359 A CB -0.539 17.954 19.000 -0.845 0.000 1.241 359 A HN 0.477 nan 8.150 nan 0.000 0.558 360 G N 0.069 108.775 108.800 -0.157 0.000 2.166 360 G HA2 -0.258 3.702 3.960 0.000 0.000 0.260 360 G HA3 -0.258 3.702 3.960 0.000 0.000 0.260 360 G C 0.549 175.401 174.900 -0.080 0.000 0.986 360 G CA 0.842 45.886 45.100 -0.094 0.000 0.683 360 G HN 1.332 nan 8.290 nan 0.000 0.527 361 S N -0.590 115.051 115.700 -0.098 0.000 2.585 361 S HA 0.556 5.026 4.470 0.000 0.000 0.273 361 S C 1.570 176.137 174.600 -0.056 0.000 1.339 361 S CA 1.123 59.281 58.200 -0.069 0.000 1.028 361 S CB 0.825 63.983 63.200 -0.072 0.000 0.906 361 S HN 1.161 nan 8.310 nan 0.000 0.528 362 T N 0.261 114.793 114.554 -0.037 0.000 3.091 362 T HA 0.291 4.641 4.350 0.000 0.000 0.277 362 T C -0.089 174.600 174.700 -0.018 0.000 0.996 362 T CA -0.331 61.754 62.100 -0.025 0.000 0.897 362 T CB -0.213 68.645 68.868 -0.017 0.000 1.109 362 T HN 0.296 nan 8.240 nan 0.000 0.534 363 V N 2.364 122.264 119.914 -0.023 0.000 2.508 363 V HA 0.360 4.480 4.120 0.000 0.000 0.281 363 V C 0.251 176.336 176.094 -0.015 0.000 1.041 363 V CA -0.423 61.865 62.300 -0.019 0.000 1.016 363 V CB 0.754 32.563 31.823 -0.023 0.000 0.984 363 V HN 0.371 nan 8.190 nan 0.000 0.478 364 K N 2.578 122.975 120.400 -0.005 0.000 2.106 364 K HA 0.492 4.812 4.320 0.000 0.000 0.246 364 K C -0.400 176.192 176.600 -0.014 0.000 0.987 364 K CA -0.540 55.754 56.287 0.011 0.000 0.904 364 K CB 1.481 34.005 32.500 0.040 0.000 1.071 364 K HN 0.725 nan 8.250 nan 0.000 0.453 365 C N 1.799 121.091 119.300 -0.014 0.000 2.499 365 C HA 0.155 4.615 4.460 0.000 0.000 0.386 365 C C -0.314 174.566 174.990 -0.184 0.000 1.293 365 C CA -0.289 58.634 59.018 -0.158 0.000 1.884 365 C CB -0.521 27.066 27.740 -0.255 0.000 2.509 365 C HN 0.636 nan 8.230 nan 0.000 0.566 366 D N 3.822 124.086 120.400 -0.226 0.000 2.396 366 D HA 0.220 4.860 4.640 0.000 0.000 0.225 366 D C -0.179 175.995 176.300 -0.210 0.000 1.121 366 D CA -0.100 53.830 54.000 -0.117 0.000 0.853 366 D CB 0.365 41.123 40.800 -0.071 0.000 1.043 366 D HN 0.694 nan 8.370 nan 0.000 0.500 367 Y N 1.452 121.748 120.300 -0.007 0.000 2.461 367 Y HA 0.134 4.684 4.550 0.000 0.000 0.277 367 Y C 0.730 176.623 175.900 -0.012 0.000 1.182 367 Y CA -0.148 57.947 58.100 -0.008 0.000 1.276 367 Y CB 0.453 38.910 38.460 -0.005 0.000 1.087 367 Y HN 0.182 nan 8.280 nan 0.000 0.519 368 E N 0.870 121.127 120.200 0.096 0.000 2.249 368 E HA 0.130 4.480 4.350 0.000 0.000 0.280 368 E C -0.024 176.588 176.600 0.021 0.000 1.016 368 E CA -0.281 56.155 56.400 0.060 0.000 0.830 368 E CB 0.631 30.362 29.700 0.052 0.000 1.081 368 E HN 0.201 nan 8.360 nan 0.000 0.395 369 N N 0.386 119.096 118.700 0.017 0.000 2.725 369 N HA -0.159 4.581 4.740 0.000 0.000 0.251 369 N C -0.738 174.754 175.510 -0.029 0.000 1.031 369 N CA 0.438 53.485 53.050 -0.005 0.000 0.720 369 N CB -1.478 37.006 38.487 -0.006 0.000 0.930 369 N HN 0.143 nan 8.380 nan 0.000 0.543 370 V N 1.708 121.607 119.914 -0.024 0.000 2.488 370 V HA 0.241 4.361 4.120 0.000 0.000 0.277 370 V C -1.117 174.944 176.094 -0.054 0.000 1.046 370 V CA -0.913 61.363 62.300 -0.041 0.000 0.986 370 V CB 1.059 32.868 31.823 -0.022 0.000 0.989 370 V HN 0.147 nan 8.190 nan 0.000 0.475 371 P HA 0.395 nan 4.420 nan 0.000 0.274 371 P C -0.474 176.775 177.300 -0.084 0.000 1.237 371 P CA -0.098 62.955 63.100 -0.080 0.000 0.793 371 P CB 1.182 32.830 31.700 -0.086 0.000 0.977 372 T N -2.525 111.963 114.554 -0.110 0.000 2.841 372 T HA 0.657 5.007 4.350 0.000 0.000 0.296 372 T C -0.829 173.740 174.700 -0.218 0.000 1.166 372 T CA -0.654 61.363 62.100 -0.138 0.000 1.007 372 T CB 1.318 70.119 68.868 -0.112 0.000 1.253 372 T HN 0.342 nan 8.240 nan 0.000 0.511 373 T N 1.043 115.405 114.554 -0.319 0.000 2.991 373 T HA 0.534 4.884 4.350 0.000 0.000 0.303 373 T C -0.729 173.543 174.700 -0.712 0.000 1.015 373 T CA -0.608 61.174 62.100 -0.530 0.000 1.007 373 T CB 1.568 70.050 68.868 -0.642 0.000 1.034 373 T HN 0.676 nan 8.240 nan 0.000 0.446 374 V N 3.861 123.454 119.914 -0.534 0.000 2.406 374 V HA 0.344 4.464 4.120 0.000 0.000 0.272 374 V C -0.255 175.589 176.094 -0.416 0.000 1.043 374 V CA -0.466 61.612 62.300 -0.370 0.000 0.915 374 V CB 0.346 32.070 31.823 -0.165 0.000 0.988 374 V HN 0.901 nan 8.190 nan 0.000 0.466 375 F N 3.151 123.050 119.950 -0.084 0.000 2.871 375 F HA 0.172 4.699 4.527 -0.000 0.000 0.317 375 F C 1.557 177.185 175.800 -0.287 0.000 1.193 375 F CA -0.566 57.248 58.000 -0.310 0.000 1.311 375 F CB -0.323 38.394 39.000 -0.472 0.000 1.380 375 F HN 0.554 nan 8.300 nan 0.000 0.557 376 T N -2.033 112.541 114.554 0.033 0.000 2.748 376 T HA 0.053 4.403 4.350 0.000 0.000 0.304 376 T C -1.483 173.337 174.700 0.201 0.000 1.041 376 T CA -1.416 60.757 62.100 0.120 0.000 1.033 376 T CB 0.624 69.555 68.868 0.106 0.000 0.995 376 T HN -0.023 nan 8.240 nan 0.000 0.536 377 P HA -0.033 nan 4.420 nan 0.000 0.216 377 P C 0.287 177.728 177.300 0.234 0.000 1.154 377 P CA 0.634 63.919 63.100 0.308 0.000 0.865 377 P CB -0.009 31.857 31.700 0.276 0.000 0.789 378 L N 0.290 121.523 121.223 0.016 0.000 2.265 378 L HA 0.242 4.582 4.340 0.000 0.000 0.289 378 L C 0.082 176.987 176.870 0.059 0.000 1.033 378 L CA -0.739 54.051 54.840 -0.082 0.000 0.814 378 L CB 0.096 41.771 42.059 -0.640 0.000 1.203 378 L HN -0.123 nan 8.230 nan 0.000 0.423 379 E N 3.376 123.673 120.200 0.162 0.000 2.383 379 E HA 0.105 4.455 4.350 0.000 0.000 0.264 379 E C -1.520 175.183 176.600 0.172 0.000 1.050 379 E CA -0.022 56.461 56.400 0.138 0.000 0.896 379 E CB 0.910 30.721 29.700 0.183 0.000 0.982 379 E HN 0.450 nan 8.360 nan 0.000 0.424 380 Y N 1.032 121.301 120.300 -0.052 0.000 2.326 380 Y HA 0.514 5.064 4.550 -0.000 0.000 0.331 380 Y C -0.477 175.411 175.900 -0.020 0.000 0.962 380 Y CA -1.136 56.961 58.100 -0.005 0.000 1.167 380 Y CB 1.329 39.777 38.460 -0.020 0.000 1.148 380 Y HN 0.478 nan 8.280 nan 0.000 0.463 381 G N 3.553 112.268 108.800 -0.142 0.000 2.461 381 G HA2 0.756 4.716 3.960 0.000 0.000 0.323 381 G HA3 0.756 4.716 3.960 0.000 0.000 0.323 381 G C -1.692 173.044 174.900 -0.273 0.000 1.229 381 G CA -0.507 44.458 45.100 -0.225 0.000 0.941 381 G HN 0.981 nan 8.290 nan 0.000 0.477 382 A N 0.318 122.962 122.820 -0.292 0.000 2.515 382 A HA 0.760 5.080 4.320 0.000 0.000 0.298 382 A C -1.071 176.453 177.584 -0.100 0.000 1.059 382 A CA -0.647 51.258 52.037 -0.219 0.000 0.698 382 A CB 1.745 20.594 19.000 -0.251 0.000 1.289 382 A HN 1.550 nan 8.150 nan 0.000 0.404 383 C N 1.436 120.682 119.300 -0.089 0.000 2.752 383 C HA 0.805 5.265 4.460 0.000 0.000 0.360 383 C C 0.653 175.600 174.990 -0.070 0.000 1.081 383 C CA 1.244 60.221 59.018 -0.068 0.000 1.272 383 C CB 0.429 28.124 27.740 -0.074 0.000 1.754 383 C HN 2.879 nan 8.230 nan 0.000 0.483 384 G N 4.521 113.300 108.800 -0.036 0.000 2.484 384 G HA2 -0.093 3.867 3.960 0.000 0.000 0.225 384 G HA3 -0.093 3.867 3.960 0.000 0.000 0.225 384 G C -0.922 174.014 174.900 0.061 0.000 1.250 384 G CA -0.233 44.877 45.100 0.017 0.000 0.926 384 G HN 1.044 nan 8.290 nan 0.000 0.581 385 L N 1.534 122.834 121.223 0.128 0.000 2.371 385 L HA 0.498 4.838 4.340 0.000 0.000 0.272 385 L C 1.624 178.683 176.870 0.314 0.000 1.124 385 L CA 0.022 54.970 54.840 0.180 0.000 0.816 385 L CB 1.339 43.515 42.059 0.195 0.000 1.129 385 L HN 0.976 nan 8.230 nan 0.000 0.448 386 S N 0.826 116.688 115.700 0.270 0.000 2.584 386 S HA 0.011 4.481 4.470 0.000 0.000 0.270 386 S C 0.914 175.610 174.600 0.160 0.000 1.346 386 S CA -0.384 57.968 58.200 0.252 0.000 1.018 386 S CB 1.213 64.509 63.200 0.161 0.000 0.899 386 S HN 0.778 nan 8.310 nan 0.000 0.542 387 E N 1.023 121.257 120.200 0.057 0.000 2.058 387 E HA -0.240 4.110 4.350 0.000 0.000 0.194 387 E C 1.661 178.295 176.600 0.057 0.000 0.997 387 E CA 1.857 58.286 56.400 0.049 0.000 0.801 387 E CB -0.252 29.442 29.700 -0.011 0.000 0.746 387 E HN 0.852 nan 8.360 nan 0.000 0.450 388 E N 0.612 120.837 120.200 0.042 0.000 2.070 388 E HA -0.224 4.126 4.350 0.000 0.000 0.197 388 E C 2.030 178.657 176.600 0.046 0.000 1.004 388 E CA 1.532 57.954 56.400 0.037 0.000 0.805 388 E CB -0.109 29.610 29.700 0.032 0.000 0.744 388 E HN 0.039 nan 8.360 nan 0.000 0.451 389 K N 0.087 120.522 120.400 0.058 0.000 2.148 389 K HA 0.029 4.349 4.320 0.000 0.000 0.204 389 K C 1.909 178.543 176.600 0.057 0.000 1.050 389 K CA 1.013 57.326 56.287 0.045 0.000 0.942 389 K CB -0.191 32.339 32.500 0.050 0.000 0.724 389 K HN 0.176 nan 8.250 nan 0.000 0.446 390 A N -0.008 122.886 122.820 0.124 0.000 1.898 390 A HA -0.109 4.211 4.320 0.000 0.000 0.216 390 A C 2.207 179.915 177.584 0.207 0.000 1.181 390 A CA 1.586 53.760 52.037 0.228 0.000 0.620 390 A CB -0.632 18.520 19.000 0.253 0.000 0.819 390 A HN 0.093 nan 8.150 nan 0.000 0.442 391 V N 0.078 120.064 119.914 0.120 0.000 2.295 391 V HA -0.269 3.851 4.120 0.000 0.000 0.246 391 V C 2.523 178.648 176.094 0.052 0.000 1.049 391 V CA 2.260 64.613 62.300 0.088 0.000 1.024 391 V CB -0.725 31.128 31.823 0.050 0.000 0.648 391 V HN 0.760 nan 8.190 nan 0.000 0.447 392 E N 0.281 120.493 120.200 0.020 0.000 2.058 392 E HA -0.313 4.037 4.350 0.000 0.000 0.194 392 E C 2.334 178.892 176.600 -0.070 0.000 0.997 392 E CA 1.927 58.316 56.400 -0.018 0.000 0.801 392 E CB -0.079 29.608 29.700 -0.023 0.000 0.746 392 E HN 0.549 nan 8.360 nan 0.000 0.450 393 K N -0.972 119.343 120.400 -0.143 0.000 2.031 393 K HA -0.084 4.236 4.320 0.000 0.000 0.205 393 K C 1.603 177.939 176.600 -0.439 0.000 1.049 393 K CA 1.369 57.425 56.287 -0.385 0.000 0.939 393 K CB 0.024 32.116 32.500 -0.679 0.000 0.717 393 K HN 0.124 nan 8.250 nan 0.000 0.438 394 F N -0.483 119.477 119.950 0.016 0.000 2.717 394 F HA 0.301 4.828 4.527 0.000 0.000 0.297 394 F C 0.495 176.301 175.800 0.010 0.000 1.113 394 F CA 0.106 58.114 58.000 0.014 0.000 1.319 394 F CB 1.460 40.472 39.000 0.019 0.000 1.097 394 F HN 0.117 nan 8.300 nan 0.000 0.595 395 G N 1.570 110.464 108.800 0.157 0.000 3.209 395 G HA2 -0.182 3.779 3.960 0.000 0.000 0.686 395 G HA3 -0.182 3.779 3.960 0.000 0.000 0.686 395 G C 0.384 175.335 174.900 0.086 0.000 1.065 395 G CA -0.293 44.863 45.100 0.094 0.000 0.812 395 G HN 0.086 nan 8.290 nan 0.000 0.573 396 E N 1.000 121.232 120.200 0.053 0.000 2.136 396 E HA -0.268 4.082 4.350 0.000 0.000 0.208 396 E C 2.370 178.983 176.600 0.022 0.000 1.035 396 E CA 2.190 58.610 56.400 0.033 0.000 0.838 396 E CB 0.040 29.750 29.700 0.016 0.000 0.748 396 E HN 0.860 nan 8.360 nan 0.000 0.459 397 E N -0.438 119.775 120.200 0.023 0.000 2.338 397 E HA -0.128 4.222 4.350 0.000 0.000 0.197 397 E C 1.055 177.662 176.600 0.011 0.000 1.007 397 E CA 0.655 57.061 56.400 0.011 0.000 0.849 397 E CB -0.292 29.415 29.700 0.012 0.000 0.774 397 E HN 0.257 nan 8.360 nan 0.000 0.506 398 N N 0.339 119.056 118.700 0.029 0.000 2.236 398 N HA 0.121 4.861 4.740 0.000 0.000 0.196 398 N C -0.355 175.152 175.510 -0.005 0.000 1.114 398 N CA -0.040 53.021 53.050 0.018 0.000 0.859 398 N CB 0.703 39.218 38.487 0.047 0.000 0.982 398 N HN 0.111 nan 8.380 nan 0.000 0.493 399 I N 1.190 121.765 120.570 0.008 0.000 2.354 399 I HA 0.175 4.345 4.170 0.000 0.000 0.292 399 I C -0.112 175.983 176.117 -0.037 0.000 0.989 399 I CA -0.880 60.419 61.300 -0.001 0.000 1.188 399 I CB 1.711 39.739 38.000 0.046 0.000 1.342 399 I HN -0.176 nan 8.210 nan 0.000 0.457 400 E N 4.871 125.041 120.200 -0.050 0.000 2.171 400 E HA 0.604 4.954 4.350 0.000 0.000 0.271 400 E C -1.443 175.072 176.600 -0.142 0.000 0.916 400 E CA -0.431 55.883 56.400 -0.144 0.000 0.774 400 E CB 1.482 31.081 29.700 -0.168 0.000 1.128 400 E HN 0.284 nan 8.360 nan 0.000 0.403 401 V N 5.713 125.485 119.914 -0.236 0.000 2.313 401 V HA 0.299 4.419 4.120 0.000 0.000 0.278 401 V C -0.942 174.988 176.094 -0.274 0.000 1.017 401 V CA -0.702 61.501 62.300 -0.162 0.000 0.823 401 V CB 0.154 31.882 31.823 -0.157 0.000 1.010 401 V HN 0.631 nan 8.190 nan 0.000 0.443 402 Y N 4.879 125.138 120.300 -0.068 0.000 2.308 402 Y HA 0.595 5.145 4.550 0.000 0.000 0.329 402 Y C 0.767 176.660 175.900 -0.011 0.000 1.111 402 Y CA -0.236 57.841 58.100 -0.039 0.000 1.179 402 Y CB 0.891 39.349 38.460 -0.002 0.000 1.201 402 Y HN 0.815 nan 8.280 nan 0.000 0.483 403 H N -1.040 118.029 119.070 -0.001 0.000 3.008 403 H HA 0.839 5.395 4.556 0.000 0.000 0.354 403 H C -1.474 173.738 175.328 -0.193 0.000 1.252 403 H CA -1.217 54.714 56.048 -0.196 0.000 1.117 403 H CB 2.200 31.818 29.762 -0.240 0.000 1.857 403 H HN 0.520 nan 8.280 nan 0.000 0.547 404 S N 0.771 116.253 115.700 -0.362 0.000 2.558 404 S HA 0.286 4.756 4.470 0.000 0.000 0.277 404 S C -1.861 172.575 174.600 -0.273 0.000 1.143 404 S CA -0.711 57.323 58.200 -0.277 0.000 0.865 404 S CB 0.950 64.075 63.200 -0.125 0.000 1.102 404 S HN 0.561 nan 8.310 nan 0.000 0.454 405 Y N 2.554 122.859 120.300 0.009 0.000 2.300 405 Y HA 0.623 5.173 4.550 -0.000 0.000 0.328 405 Y C 0.342 176.343 175.900 0.169 0.000 1.270 405 Y CA -0.067 58.076 58.100 0.073 0.000 1.352 405 Y CB 0.883 39.355 38.460 0.020 0.000 1.286 405 Y HN 0.670 nan 8.280 nan 0.000 0.536 406 F N -1.295 118.771 119.950 0.194 0.000 2.643 406 F HA 0.578 5.105 4.527 0.000 0.000 0.314 406 F C -1.947 173.995 175.800 0.236 0.000 1.096 406 F CA -1.890 56.195 58.000 0.141 0.000 0.953 406 F CB 1.160 40.174 39.000 0.024 0.000 1.345 406 F HN 0.365 nan 8.300 nan 0.000 0.468 407 W N 4.105 125.496 121.300 0.152 0.000 2.453 407 W HA 0.645 5.305 4.660 0.000 0.000 0.310 407 W C -2.924 173.617 176.519 0.037 0.000 1.000 407 W CA -3.324 54.048 57.345 0.045 0.000 1.367 407 W CB 1.104 30.624 29.460 0.101 0.000 1.269 407 W HN 0.339 nan 8.180 nan 0.000 0.418 408 P HA -0.106 nan 4.420 nan 0.000 0.262 408 P C 1.016 178.115 177.300 -0.335 0.000 1.182 408 P CA -0.034 62.888 63.100 -0.296 0.000 0.761 408 P CB 0.735 31.937 31.700 -0.830 0.000 0.795 409 L N 4.194 125.296 121.223 -0.201 0.000 2.127 409 L HA -0.208 4.132 4.340 0.000 0.000 0.211 409 L C 1.631 178.431 176.870 -0.117 0.000 1.089 409 L CA 2.016 56.739 54.840 -0.195 0.000 0.757 409 L CB -1.109 40.885 42.059 -0.108 0.000 0.899 409 L HN 0.292 nan 8.230 nan 0.000 0.434 410 E N -1.464 118.721 120.200 -0.025 0.000 2.267 410 E HA -0.222 4.128 4.350 0.000 0.000 0.197 410 E C 1.546 178.395 176.600 0.415 0.000 0.998 410 E CA 1.285 57.807 56.400 0.203 0.000 0.830 410 E CB -0.319 29.491 29.700 0.184 0.000 0.751 410 E HN 0.578 nan 8.360 nan 0.000 0.491 411 W N 0.159 121.413 121.300 -0.077 0.000 3.197 411 W HA 0.142 4.802 4.660 0.000 0.000 0.274 411 W C 1.864 178.251 176.519 -0.219 0.000 1.297 411 W CA 0.883 58.197 57.345 -0.051 0.000 1.662 411 W CB -0.871 28.630 29.460 0.068 0.000 1.106 411 W HN 0.135 nan 8.180 nan 0.000 0.663 412 T N -2.437 111.928 114.554 -0.315 0.000 2.812 412 T HA -0.126 4.224 4.350 0.000 0.000 0.264 412 T C 1.904 176.506 174.700 -0.165 0.000 1.042 412 T CA 1.082 62.858 62.100 -0.539 0.000 1.140 412 T CB -0.483 68.018 68.868 -0.611 0.000 0.870 412 T HN 0.039 nan 8.240 nan 0.000 0.445 413 I N 2.096 122.555 120.570 -0.185 0.000 2.233 413 I HA 0.006 4.176 4.170 0.000 0.000 0.243 413 I C -0.604 175.402 176.117 -0.186 0.000 1.093 413 I CA 0.667 61.799 61.300 -0.281 0.000 1.380 413 I CB -0.669 36.920 38.000 -0.683 0.000 1.067 413 I HN 0.206 nan 8.210 nan 0.000 0.413 414 P HA -0.154 nan 4.420 nan 0.000 0.221 414 P C 0.412 177.752 177.300 0.066 0.000 1.145 414 P CA 1.027 64.136 63.100 0.015 0.000 0.795 414 P CB 0.033 31.786 31.700 0.088 0.000 0.775 415 S N -0.658 115.122 115.700 0.134 0.000 3.866 415 S HA -0.155 4.315 4.470 0.000 0.000 0.427 415 S C -0.013 174.745 174.600 0.263 0.000 0.891 415 S CA 0.417 58.764 58.200 0.245 0.000 1.275 415 S CB -1.665 61.620 63.200 0.143 0.000 0.872 415 S HN 0.537 nan 8.310 nan 0.000 0.562 416 R N 0.569 121.294 120.500 0.375 0.000 2.707 416 R HA 0.661 5.001 4.340 0.000 0.000 0.272 416 R C -0.892 175.626 176.300 0.363 0.000 1.011 416 R CA -0.307 55.932 56.100 0.230 0.000 0.893 416 R CB 0.618 30.942 30.300 0.041 0.000 1.233 416 R HN 0.082 nan 8.270 nan 0.000 0.464 417 D N 0.554 121.054 120.400 0.167 0.000 2.705 417 D HA -0.176 4.464 4.640 0.000 0.000 0.240 417 D C -0.825 175.593 176.300 0.197 0.000 1.137 417 D CA 0.938 55.051 54.000 0.188 0.000 0.677 417 D CB -0.683 40.176 40.800 0.099 0.000 1.049 417 D HN 0.624 nan 8.370 nan 0.000 0.427 418 N N 1.201 119.712 118.700 -0.314 0.000 2.482 418 N HA 0.043 4.783 4.740 0.000 0.000 0.260 418 N C 0.508 175.744 175.510 -0.456 0.000 1.236 418 N CA 0.097 52.593 53.050 -0.922 0.000 0.938 418 N CB 0.340 38.032 38.487 -1.325 0.000 1.128 418 N HN 0.062 nan 8.380 nan 0.000 0.448 419 N N 0.491 118.935 118.700 -0.426 0.000 2.714 419 N HA -0.211 4.529 4.740 0.000 0.000 0.252 419 N C -0.181 175.018 175.510 -0.518 0.000 1.014 419 N CA 0.805 53.541 53.050 -0.522 0.000 0.735 419 N CB -0.508 37.604 38.487 -0.626 0.000 0.924 419 N HN 0.593 nan 8.380 nan 0.000 0.540 420 K N -0.937 119.379 120.400 -0.140 0.000 2.412 420 K HA 0.310 4.630 4.320 0.000 0.000 0.201 420 K C 0.181 176.861 176.600 0.133 0.000 1.275 420 K CA 0.425 56.744 56.287 0.052 0.000 0.910 420 K CB 0.377 33.005 32.500 0.212 0.000 1.346 420 K HN 0.313 nan 8.250 nan 0.000 0.490 421 C N 1.895 121.168 119.300 -0.045 0.000 2.657 421 C HA 0.262 4.723 4.460 0.000 0.000 0.420 421 C C -0.183 174.655 174.990 -0.253 0.000 1.323 421 C CA -0.168 58.603 59.018 -0.411 0.000 1.894 421 C CB -1.078 25.840 27.740 -1.369 0.000 2.681 421 C HN 0.378 nan 8.230 nan 0.000 0.613 422 Y N 1.173 121.365 120.300 -0.180 0.000 2.433 422 Y HA 0.590 5.140 4.550 0.000 0.000 0.337 422 Y C -0.428 175.548 175.900 0.127 0.000 1.026 422 Y CA -0.575 57.501 58.100 -0.040 0.000 1.037 422 Y CB 1.009 39.407 38.460 -0.103 0.000 1.245 422 Y HN 0.837 nan 8.280 nan 0.000 0.443 423 A N 6.372 128.889 122.820 -0.506 0.000 2.343 423 A HA 0.803 5.123 4.320 0.000 0.000 0.316 423 A C -1.486 175.686 177.584 -0.687 0.000 1.104 423 A CA -0.796 50.924 52.037 -0.528 0.000 0.768 423 A CB 0.986 19.437 19.000 -0.915 0.000 1.213 423 A HN 0.721 nan 8.150 nan 0.000 0.456 424 K N 2.026 122.224 120.400 -0.336 0.000 2.502 424 K HA 0.791 5.111 4.320 0.000 0.000 0.257 424 K C -1.146 175.498 176.600 0.073 0.000 0.938 424 K CA -0.658 55.547 56.287 -0.135 0.000 0.819 424 K CB 1.859 34.295 32.500 -0.106 0.000 1.333 424 K HN 0.864 nan 8.250 nan 0.000 0.434 425 I N -0.508 120.144 120.570 0.137 0.000 2.646 425 I HA 0.567 4.737 4.170 0.000 0.000 0.299 425 I C -1.282 174.946 176.117 0.185 0.000 1.036 425 I CA -1.459 59.947 61.300 0.176 0.000 1.074 425 I CB 1.619 39.729 38.000 0.183 0.000 1.258 425 I HN 0.529 nan 8.210 nan 0.000 0.430 426 I N 4.915 125.595 120.570 0.183 0.000 2.362 426 I HA 0.379 4.549 4.170 0.000 0.000 0.289 426 I C -0.520 175.665 176.117 0.114 0.000 0.994 426 I CA 0.032 61.419 61.300 0.144 0.000 1.158 426 I CB 1.377 39.474 38.000 0.162 0.000 1.315 426 I HN 0.652 nan 8.210 nan 0.000 0.451 427 C N 4.664 124.024 119.300 0.099 0.000 2.411 427 C HA 0.469 4.929 4.460 0.000 0.000 0.330 427 C C 0.311 175.276 174.990 -0.041 0.000 1.224 427 C CA -0.776 58.276 59.018 0.056 0.000 1.770 427 C CB 1.169 29.001 27.740 0.152 0.000 2.297 427 C HN 0.711 nan 8.230 nan 0.000 0.507 428 N N 1.304 119.913 118.700 -0.151 0.000 2.462 428 N HA 0.178 4.918 4.740 0.000 0.000 0.242 428 N C 0.928 176.336 175.510 -0.170 0.000 1.010 428 N CA 0.010 52.883 53.050 -0.296 0.000 0.939 428 N CB 1.030 39.116 38.487 -0.668 0.000 1.127 428 N HN 0.677 nan 8.380 nan 0.000 0.509 429 T N 2.537 117.031 114.554 -0.101 0.000 2.867 429 T HA -0.042 4.308 4.350 0.000 0.000 0.268 429 T C 1.443 176.113 174.700 -0.050 0.000 1.057 429 T CA 0.894 62.966 62.100 -0.048 0.000 1.136 429 T CB 0.120 68.975 68.868 -0.022 0.000 0.874 429 T HN 0.428 nan 8.240 nan 0.000 0.466 430 K N 1.045 121.404 120.400 -0.068 0.000 2.442 430 K HA -0.047 4.273 4.320 0.000 0.000 0.198 430 K C 0.433 177.003 176.600 -0.050 0.000 1.042 430 K CA 0.785 57.048 56.287 -0.040 0.000 0.958 430 K CB 0.007 32.502 32.500 -0.008 0.000 0.766 430 K HN 0.262 nan 8.250 nan 0.000 0.474 431 D N -0.056 120.291 120.400 -0.089 0.000 2.861 431 D HA 0.113 4.753 4.640 0.000 0.000 0.357 431 D C -1.038 175.227 176.300 -0.059 0.000 1.250 431 D CA -0.317 53.639 54.000 -0.074 0.000 0.802 431 D CB -0.612 40.117 40.800 -0.118 0.000 1.141 431 D HN 0.007 nan 8.370 nan 0.000 0.489 432 N N 1.843 120.521 118.700 -0.036 0.000 2.721 432 N HA -0.226 4.514 4.740 0.000 0.000 0.249 432 N C -0.689 174.807 175.510 -0.023 0.000 1.072 432 N CA 0.927 53.963 53.050 -0.023 0.000 0.710 432 N CB -0.715 37.761 38.487 -0.018 0.000 0.993 432 N HN 0.458 nan 8.380 nan 0.000 0.547 433 E N -2.243 117.942 120.200 -0.025 0.000 2.360 433 E HA -0.319 4.031 4.350 0.000 0.000 0.238 433 E C 0.118 176.705 176.600 -0.020 0.000 1.186 433 E CA 0.513 56.909 56.400 -0.007 0.000 0.719 433 E CB -0.553 29.165 29.700 0.029 0.000 1.236 433 E HN 0.431 nan 8.360 nan 0.000 0.386 434 R N 0.278 120.746 120.500 -0.053 0.000 2.585 434 R HA 0.054 4.394 4.340 0.000 0.000 0.275 434 R C -0.322 175.960 176.300 -0.029 0.000 1.018 434 R CA 0.252 56.324 56.100 -0.047 0.000 1.072 434 R CB 0.649 30.903 30.300 -0.077 0.000 0.953 434 R HN 0.022 nan 8.270 nan 0.000 0.419 435 V N 7.517 127.434 119.914 0.004 0.000 2.352 435 V HA 0.003 4.123 4.120 0.000 0.000 0.253 435 V C 1.079 177.198 176.094 0.042 0.000 1.083 435 V CA 0.267 62.590 62.300 0.038 0.000 0.993 435 V CB 0.612 32.469 31.823 0.056 0.000 1.111 435 V HN 0.797 nan 8.190 nan 0.000 0.490 436 V N 2.100 122.043 119.914 0.048 0.000 3.608 436 V HA 0.552 4.672 4.120 0.000 0.000 0.269 436 V C 0.836 177.001 176.094 0.118 0.000 1.245 436 V CA 0.762 63.111 62.300 0.082 0.000 1.138 436 V CB -0.055 31.831 31.823 0.106 0.000 0.841 436 V HN 0.710 nan 8.190 nan 0.000 0.451 437 G N -0.204 108.673 108.800 0.128 0.000 2.753 437 G HA2 0.590 4.550 3.960 0.000 0.000 0.297 437 G HA3 0.590 4.550 3.960 0.000 0.000 0.297 437 G C -1.953 173.023 174.900 0.127 0.000 1.430 437 G CA -0.558 44.625 45.100 0.138 0.000 1.040 437 G HN 0.229 nan 8.290 nan 0.000 0.530 438 F N 2.965 122.752 119.950 -0.271 0.000 2.547 438 F HA 0.708 5.235 4.527 -0.000 0.000 0.316 438 F C -0.956 174.553 175.800 -0.485 0.000 1.121 438 F CA -0.682 57.145 58.000 -0.289 0.000 0.911 438 F CB 1.779 40.578 39.000 -0.336 0.000 1.179 438 F HN 0.492 nan 8.300 nan 0.000 0.443 439 H N 5.285 123.946 119.070 -0.683 0.000 2.966 439 H HA 0.590 5.146 4.556 0.000 0.000 0.347 439 H C -1.555 173.627 175.328 -0.242 0.000 1.048 439 H CA -0.785 55.121 56.048 -0.236 0.000 1.295 439 H CB 2.100 31.941 29.762 0.132 0.000 1.744 439 H HN 0.585 nan 8.280 nan 0.000 0.513 440 V N 4.682 124.666 119.914 0.118 0.000 2.686 440 V HA 0.357 4.477 4.120 0.000 0.000 0.306 440 V C -1.405 174.939 176.094 0.417 0.000 1.065 440 V CA -0.727 61.734 62.300 0.269 0.000 0.894 440 V CB 2.455 34.465 31.823 0.311 0.000 1.004 440 V HN 0.519 nan 8.190 nan 0.000 0.424 441 L N 6.916 128.362 121.223 0.372 0.000 2.316 441 L HA 1.030 5.370 4.340 0.000 0.000 0.280 441 L C 0.027 177.038 176.870 0.236 0.000 1.006 441 L CA 1.049 56.061 54.840 0.286 0.000 0.836 441 L CB 1.034 43.209 42.059 0.193 0.000 1.221 441 L HN 0.972 nan 8.230 nan 0.000 0.418 442 G N 4.236 113.182 108.800 0.242 0.000 2.320 442 G HA2 0.333 4.293 3.960 0.000 0.000 0.296 442 G HA3 0.333 4.293 3.960 0.000 0.000 0.296 442 G C -3.396 171.647 174.900 0.239 0.000 1.306 442 G CA -0.702 44.525 45.100 0.212 0.000 0.836 442 G HN 0.366 nan 8.290 nan 0.000 0.517 443 P HA 0.161 nan 4.420 nan 0.000 0.271 443 P C -0.237 177.197 177.300 0.223 0.000 1.218 443 P CA 0.134 63.380 63.100 0.244 0.000 0.780 443 P CB 0.451 32.267 31.700 0.193 0.000 0.901 444 N N 0.021 118.866 118.700 0.241 0.000 2.721 444 N HA -0.229 4.511 4.740 0.000 0.000 0.249 444 N C 1.121 176.755 175.510 0.207 0.000 1.072 444 N CA 0.986 54.165 53.050 0.216 0.000 0.710 444 N CB -1.752 36.831 38.487 0.159 0.000 0.993 444 N HN 0.602 nan 8.380 nan 0.000 0.547 445 A N 0.126 123.072 122.820 0.211 0.000 1.940 445 A HA -0.008 4.312 4.320 0.000 0.000 0.219 445 A C 2.302 179.970 177.584 0.139 0.000 1.176 445 A CA 2.176 54.326 52.037 0.188 0.000 0.631 445 A CB -0.742 18.349 19.000 0.153 0.000 0.814 445 A HN 0.536 nan 8.150 nan 0.000 0.446 446 G N -0.442 108.423 108.800 0.108 0.000 2.402 446 G HA2 -0.166 3.794 3.960 0.000 0.000 0.216 446 G HA3 -0.166 3.794 3.960 0.000 0.000 0.216 446 G C 1.351 176.308 174.900 0.096 0.000 1.162 446 G CA 0.904 46.054 45.100 0.082 0.000 0.777 446 G HN 0.506 nan 8.290 nan 0.000 0.539 447 E N 0.547 120.820 120.200 0.121 0.000 2.110 447 E HA -0.079 4.271 4.350 0.000 0.000 0.193 447 E C 2.814 179.463 176.600 0.083 0.000 0.988 447 E CA 0.715 57.167 56.400 0.086 0.000 0.804 447 E CB -0.535 29.217 29.700 0.088 0.000 0.745 447 E HN 0.346 nan 8.360 nan 0.000 0.458 448 V N 1.252 121.249 119.914 0.139 0.000 2.379 448 V HA -0.175 3.946 4.120 0.000 0.000 0.245 448 V C 2.304 178.516 176.094 0.196 0.000 1.044 448 V CA 1.975 64.398 62.300 0.205 0.000 1.036 448 V CB -0.687 31.314 31.823 0.297 0.000 0.664 448 V HN 0.255 nan 8.190 nan 0.000 0.453 449 T N -0.859 113.778 114.554 0.137 0.000 2.904 449 T HA -0.193 4.157 4.350 0.000 0.000 0.267 449 T C 1.889 176.508 174.700 -0.135 0.000 1.059 449 T CA 1.430 63.522 62.100 -0.014 0.000 1.137 449 T CB -0.148 68.773 68.868 0.089 0.000 0.879 449 T HN 0.417 nan 8.240 nan 0.000 0.467 450 Q N 1.398 121.153 119.800 -0.074 0.000 2.045 450 Q HA -0.075 4.265 4.340 0.000 0.000 0.206 450 Q C 2.396 178.295 176.000 -0.168 0.000 0.991 450 Q CA 2.296 58.037 55.803 -0.102 0.000 0.851 450 Q CB -1.028 27.672 28.738 -0.063 0.000 0.911 450 Q HN 0.493 nan 8.270 nan 0.000 0.418 451 G N -1.267 107.402 108.800 -0.219 0.000 2.402 451 G HA2 -0.211 3.749 3.960 0.000 0.000 0.216 451 G HA3 -0.211 3.749 3.960 0.000 0.000 0.216 451 G C 1.041 175.676 174.900 -0.442 0.000 1.162 451 G CA 0.650 45.553 45.100 -0.329 0.000 0.777 451 G HN 0.397 nan 8.290 nan 0.000 0.539 452 F N 1.832 121.515 119.950 -0.445 0.000 2.269 452 F HA 0.070 4.597 4.527 0.000 0.000 0.301 452 F C 2.953 178.452 175.800 -0.501 0.000 1.082 452 F CA 0.690 58.322 58.000 -0.613 0.000 1.360 452 F CB -0.237 38.009 39.000 -1.256 0.000 1.041 452 F HN 0.237 nan 8.300 nan 0.000 0.512 453 A N 0.080 122.739 122.820 -0.269 0.000 1.902 453 A HA -0.099 4.221 4.320 0.000 0.000 0.217 453 A C 2.443 179.939 177.584 -0.147 0.000 1.181 453 A CA 1.766 53.689 52.037 -0.189 0.000 0.623 453 A CB -1.226 17.681 19.000 -0.155 0.000 0.818 453 A HN 0.301 nan 8.150 nan 0.000 0.443 454 A N -0.273 122.449 122.820 -0.163 0.000 1.930 454 A HA 0.213 4.533 4.320 0.000 0.000 0.217 454 A C 2.467 179.972 177.584 -0.131 0.000 1.175 454 A CA 1.880 53.834 52.037 -0.139 0.000 0.627 454 A CB -0.900 18.010 19.000 -0.149 0.000 0.815 454 A HN 1.032 nan 8.150 nan 0.000 0.443 455 A N -0.228 122.495 122.820 -0.161 0.000 1.930 455 A HA -0.003 4.317 4.320 0.000 0.000 0.217 455 A C 2.119 179.660 177.584 -0.072 0.000 1.175 455 A CA 1.351 53.315 52.037 -0.122 0.000 0.627 455 A CB -0.501 18.420 19.000 -0.132 0.000 0.815 455 A HN 0.460 nan 8.150 nan 0.000 0.443 456 L N -0.733 120.447 121.223 -0.072 0.000 2.093 456 L HA -0.155 4.185 4.340 0.000 0.000 0.208 456 L C 2.398 179.245 176.870 -0.038 0.000 1.085 456 L CA 1.254 56.068 54.840 -0.043 0.000 0.755 456 L CB -0.558 41.475 42.059 -0.044 0.000 0.904 456 L HN 0.326 nan 8.230 nan 0.000 0.435 457 K N -0.154 120.215 120.400 -0.052 0.000 2.211 457 K HA -0.151 4.169 4.320 0.000 0.000 0.204 457 K C 1.830 178.408 176.600 -0.037 0.000 1.047 457 K CA 1.182 57.443 56.287 -0.043 0.000 0.935 457 K CB -0.335 32.133 32.500 -0.054 0.000 0.728 457 K HN 0.431 nan 8.250 nan 0.000 0.452 458 C N 0.162 119.435 119.300 -0.045 0.000 2.626 458 C HA 0.205 4.665 4.460 0.000 0.000 0.266 458 C C 1.217 176.190 174.990 -0.028 0.000 1.317 458 C CA 0.061 59.056 59.018 -0.039 0.000 1.716 458 C CB -0.948 26.762 27.740 -0.050 0.000 1.819 458 C HN 0.657 nan 8.230 nan 0.000 0.578 459 G N 1.299 110.086 108.800 -0.022 0.000 2.248 459 G HA2 -0.232 3.728 3.960 0.000 0.000 0.263 459 G HA3 -0.232 3.728 3.960 0.000 0.000 0.263 459 G C -0.095 174.796 174.900 -0.014 0.000 1.082 459 G CA 0.114 45.206 45.100 -0.013 0.000 0.863 459 G HN 0.530 nan 8.290 nan 0.000 0.495 460 L N 0.865 122.080 121.223 -0.014 0.000 2.559 460 L HA 0.522 4.862 4.340 0.000 0.000 0.282 460 L C 0.703 177.573 176.870 -0.001 0.000 1.232 460 L CA 1.238 56.075 54.840 -0.006 0.000 0.885 460 L CB 0.600 42.664 42.059 0.008 0.000 1.131 460 L HN 0.231 nan 8.230 nan 0.000 0.498 461 T N 3.712 118.264 114.554 -0.004 0.000 2.932 461 T HA 0.252 4.602 4.350 0.000 0.000 0.289 461 T C 0.670 175.362 174.700 -0.013 0.000 1.039 461 T CA -0.514 61.580 62.100 -0.010 0.000 1.024 461 T CB 1.923 70.782 68.868 -0.014 0.000 1.090 461 T HN 0.664 nan 8.240 nan 0.000 0.496 462 K N 1.910 122.293 120.400 -0.028 0.000 2.063 462 K HA -0.008 4.312 4.320 0.000 0.000 0.208 462 K C 1.927 178.487 176.600 -0.067 0.000 1.048 462 K CA 1.759 58.002 56.287 -0.072 0.000 0.928 462 K CB -0.081 32.351 32.500 -0.113 0.000 0.713 462 K HN 0.413 nan 8.250 nan 0.000 0.442 463 K N 0.097 120.472 120.400 -0.043 0.000 2.074 463 K HA -0.210 4.110 4.320 0.000 0.000 0.209 463 K C 2.346 178.932 176.600 -0.024 0.000 1.048 463 K CA 2.094 58.362 56.287 -0.032 0.000 0.926 463 K CB -0.099 32.389 32.500 -0.020 0.000 0.713 463 K HN 0.326 nan 8.250 nan 0.000 0.444 464 Q N 0.286 120.076 119.800 -0.017 0.000 2.079 464 Q HA -0.159 4.181 4.340 0.000 0.000 0.200 464 Q C 2.150 178.150 176.000 0.000 0.000 0.974 464 Q CA 1.048 56.844 55.803 -0.011 0.000 0.840 464 Q CB -0.131 28.600 28.738 -0.011 0.000 0.898 464 Q HN 0.169 nan 8.270 nan 0.000 0.430 465 L N 1.493 122.723 121.223 0.011 0.000 2.012 465 L HA -0.210 4.131 4.340 0.000 0.000 0.210 465 L C 1.395 178.282 176.870 0.028 0.000 1.073 465 L CA 1.978 56.847 54.840 0.048 0.000 0.748 465 L CB -0.502 41.596 42.059 0.064 0.000 0.891 465 L HN 0.122 nan 8.230 nan 0.000 0.431 466 D N -0.939 119.452 120.400 -0.015 0.000 2.182 466 D HA -0.163 4.478 4.640 0.000 0.000 0.201 466 D C 2.376 178.670 176.300 -0.010 0.000 0.986 466 D CA 1.454 55.440 54.000 -0.025 0.000 0.847 466 D CB -0.186 40.584 40.800 -0.051 0.000 0.942 466 D HN 0.590 nan 8.370 nan 0.000 0.467 467 S N -0.777 114.918 115.700 -0.008 0.000 2.470 467 S HA -0.020 4.450 4.470 0.000 0.000 0.225 467 S C 1.039 175.637 174.600 -0.002 0.000 1.006 467 S CA 0.061 58.257 58.200 -0.007 0.000 0.934 467 S CB -0.285 62.909 63.200 -0.011 0.000 0.778 467 S HN -0.033 nan 8.310 nan 0.000 0.517 468 T N 4.608 119.165 114.554 0.006 0.000 2.870 468 T HA 0.336 4.686 4.350 0.000 0.000 0.300 468 T C 0.059 174.769 174.700 0.017 0.000 0.989 468 T CA -0.261 61.844 62.100 0.008 0.000 1.139 468 T CB 0.292 69.171 68.868 0.019 0.000 0.920 468 T HN 0.165 nan 8.240 nan 0.000 0.537 469 I N 2.825 123.400 120.570 0.009 0.000 2.472 469 I HA 0.319 4.489 4.170 0.000 0.000 0.290 469 I C 1.317 177.450 176.117 0.026 0.000 1.016 469 I CA -0.564 60.744 61.300 0.012 0.000 1.348 469 I CB 0.506 38.509 38.000 0.004 0.000 1.417 469 I HN 0.692 nan 8.210 nan 0.000 0.521 470 G N 5.943 114.764 108.800 0.034 0.000 2.606 470 G HA2 0.485 4.445 3.960 0.000 0.000 0.252 470 G HA3 0.485 4.445 3.960 0.000 0.000 0.252 470 G C -0.188 174.746 174.900 0.056 0.000 1.206 470 G CA -0.549 44.584 45.100 0.055 0.000 0.861 470 G HN 0.523 nan 8.290 nan 0.000 0.561 471 I N 0.324 120.935 120.570 0.069 0.000 2.353 471 I HA 0.239 4.410 4.170 0.000 0.000 0.293 471 I C -0.252 175.941 176.117 0.127 0.000 0.992 471 I CA -0.619 60.725 61.300 0.072 0.000 1.268 471 I CB 1.565 39.590 38.000 0.042 0.000 1.387 471 I HN 0.490 nan 8.210 nan 0.000 0.478 472 H N 7.212 126.283 119.070 0.003 0.000 2.538 472 H HA 0.578 5.134 4.556 -0.000 0.000 0.353 472 H C -2.526 172.803 175.328 0.002 0.000 1.109 472 H CA -2.008 54.041 56.048 0.002 0.000 1.192 472 H CB 1.715 31.479 29.762 0.005 0.000 1.555 472 H HN 0.278 nan 8.280 nan 0.000 0.518 473 P HA 0.347 nan 4.420 nan 0.000 0.285 473 P C -1.411 175.804 177.300 -0.140 0.000 1.448 473 P CA -0.528 62.277 63.100 -0.492 0.000 0.953 473 P CB 1.095 32.410 31.700 -0.642 0.000 1.175 474 V N 2.579 122.480 119.914 -0.022 0.000 2.841 474 V HA 0.079 4.199 4.120 0.000 0.000 0.310 474 V C 1.211 177.297 176.094 -0.014 0.000 1.090 474 V CA -0.498 61.796 62.300 -0.010 0.000 0.930 474 V CB 1.930 33.760 31.823 0.011 0.000 1.014 474 V HN 0.617 nan 8.190 nan 0.000 0.425 475 C N 2.727 122.007 119.300 -0.035 0.000 2.398 475 C HA -0.174 4.286 4.460 0.000 0.000 0.276 475 C C 2.797 177.632 174.990 -0.259 0.000 1.222 475 C CA 1.676 60.605 59.018 -0.149 0.000 1.746 475 C CB -0.994 26.722 27.740 -0.039 0.000 2.039 475 C HN 1.046 nan 8.230 nan 0.000 0.470 476 A N 1.015 123.818 122.820 -0.028 0.000 2.076 476 A HA -0.232 4.088 4.320 0.000 0.000 0.220 476 A C 2.078 179.766 177.584 0.173 0.000 1.160 476 A CA 1.858 53.993 52.037 0.163 0.000 0.653 476 A CB -0.766 18.410 19.000 0.293 0.000 0.801 476 A HN 0.866 nan 8.150 nan 0.000 0.455 477 E N -0.029 120.201 120.200 0.050 0.000 2.333 477 E HA -0.121 4.229 4.350 0.000 0.000 0.198 477 E C 1.534 178.120 176.600 -0.024 0.000 1.007 477 E CA 1.124 57.562 56.400 0.063 0.000 0.845 477 E CB -0.509 29.229 29.700 0.063 0.000 0.766 477 E HN 0.323 nan 8.360 nan 0.000 0.507 478 V N 0.298 120.081 119.914 -0.219 0.000 2.568 478 V HA -0.225 3.895 4.120 0.000 0.000 0.253 478 V C 1.470 177.352 176.094 -0.353 0.000 1.072 478 V CA 1.558 63.641 62.300 -0.363 0.000 1.084 478 V CB -0.644 30.773 31.823 -0.678 0.000 0.676 478 V HN 0.330 nan 8.190 nan 0.000 0.469 479 F N 0.410 120.287 119.950 -0.121 0.000 2.604 479 F HA -0.019 4.507 4.527 -0.000 0.000 0.298 479 F C 2.396 178.183 175.800 -0.022 0.000 1.131 479 F CA 1.522 59.460 58.000 -0.103 0.000 1.457 479 F CB -0.854 38.024 39.000 -0.203 0.000 1.095 479 F HN 0.108 nan 8.300 nan 0.000 0.574 480 T N -1.424 113.217 114.554 0.145 0.000 3.023 480 T HA -0.084 4.266 4.350 0.000 0.000 0.266 480 T C 1.598 176.312 174.700 0.023 0.000 1.093 480 T CA 1.782 63.940 62.100 0.096 0.000 1.129 480 T CB -0.276 68.638 68.868 0.075 0.000 0.899 480 T HN 0.332 nan 8.240 nan 0.000 0.491 481 T N -0.467 114.080 114.554 -0.011 0.000 3.393 481 T HA 0.427 4.777 4.350 0.000 0.000 0.298 481 T C 0.086 174.764 174.700 -0.036 0.000 1.004 481 T CA -0.453 61.630 62.100 -0.027 0.000 0.956 481 T CB -0.690 68.164 68.868 -0.023 0.000 1.182 481 T HN 0.112 nan 8.240 nan 0.000 0.497 482 L N 2.903 124.094 121.223 -0.054 0.000 2.500 482 L HA 0.348 4.688 4.340 0.000 0.000 0.272 482 L C 1.359 178.237 176.870 0.014 0.000 1.149 482 L CA -0.101 54.725 54.840 -0.023 0.000 0.897 482 L CB 0.673 42.717 42.059 -0.024 0.000 1.178 482 L HN 0.533 nan 8.230 nan 0.000 0.473 483 S N 0.980 116.758 115.700 0.129 0.000 2.649 483 S HA 0.169 4.639 4.470 0.000 0.000 0.246 483 S C 0.207 174.981 174.600 0.290 0.000 1.057 483 S CA -0.414 57.905 58.200 0.198 0.000 1.051 483 S CB 0.518 63.777 63.200 0.098 0.000 1.018 483 S HN 0.224 nan 8.310 nan 0.000 0.569 484 V N 4.014 124.077 119.914 0.248 0.000 2.383 484 V HA 0.560 4.680 4.120 0.000 0.000 0.275 484 V C 0.512 176.668 176.094 0.103 0.000 1.036 484 V CA -0.149 62.252 62.300 0.168 0.000 0.889 484 V CB 1.015 32.934 31.823 0.159 0.000 0.985 484 V HN 0.633 nan 8.190 nan 0.000 0.459 485 T N 1.817 116.314 114.554 -0.095 0.000 2.907 485 T HA 0.395 4.745 4.350 0.000 0.000 0.284 485 T C 0.919 175.472 174.700 -0.244 0.000 1.004 485 T CA -0.761 61.140 62.100 -0.332 0.000 1.063 485 T CB 1.534 70.131 68.868 -0.451 0.000 0.992 485 T HN 0.552 nan 8.240 nan 0.000 0.483 486 K N 0.712 120.870 120.400 -0.403 0.000 2.063 486 K HA -0.162 4.158 4.320 0.000 0.000 0.208 486 K C 2.422 178.933 176.600 -0.147 0.000 1.048 486 K CA 1.504 57.606 56.287 -0.309 0.000 0.928 486 K CB -0.201 32.099 32.500 -0.334 0.000 0.713 486 K HN 0.663 nan 8.250 nan 0.000 0.442 487 R N 1.375 121.780 120.500 -0.158 0.000 2.127 487 R HA -0.150 4.190 4.340 0.000 0.000 0.238 487 R C 2.293 178.551 176.300 -0.070 0.000 1.134 487 R CA 2.015 58.053 56.100 -0.102 0.000 0.975 487 R CB -0.273 29.961 30.300 -0.110 0.000 0.865 487 R HN 0.239 nan 8.270 nan 0.000 0.447 488 S N -1.067 114.588 115.700 -0.075 0.000 2.419 488 S HA -0.024 4.446 4.470 0.000 0.000 0.233 488 S C 1.702 176.297 174.600 -0.009 0.000 1.016 488 S CA 1.131 59.310 58.200 -0.035 0.000 0.974 488 S CB -0.453 62.733 63.200 -0.025 0.000 0.786 488 S HN 0.696 nan 8.310 nan 0.000 0.492 489 G N 0.969 109.768 108.800 -0.002 0.000 2.184 489 G HA2 -0.177 3.783 3.960 0.000 0.000 0.264 489 G HA3 -0.177 3.783 3.960 0.000 0.000 0.264 489 G C 0.339 175.266 174.900 0.045 0.000 0.975 489 G CA 0.316 45.429 45.100 0.022 0.000 0.642 489 G HN 1.454 nan 8.290 nan 0.000 0.536 490 A N 0.268 123.118 122.820 0.051 0.000 2.466 490 A HA 0.645 4.965 4.320 0.000 0.000 0.238 490 A C 1.090 178.723 177.584 0.081 0.000 1.074 490 A CA 1.147 53.218 52.037 0.058 0.000 0.774 490 A CB 0.355 19.388 19.000 0.055 0.000 1.015 490 A HN 2.036 nan 8.150 nan 0.000 0.498 491 S N 0.569 116.306 115.700 0.063 0.000 2.592 491 S HA 0.440 4.910 4.470 0.000 0.000 0.271 491 S C 0.398 175.036 174.600 0.063 0.000 1.326 491 S CA 0.149 58.388 58.200 0.065 0.000 1.024 491 S CB 0.377 63.606 63.200 0.049 0.000 0.921 491 S HN 1.268 nan 8.310 nan 0.000 0.527 492 I N -0.075 120.534 120.570 0.064 0.000 3.966 492 I HA 0.403 4.573 4.170 0.000 0.000 0.324 492 I C -0.304 175.916 176.117 0.173 0.000 1.517 492 I CA -0.669 60.666 61.300 0.058 0.000 1.117 492 I CB -0.096 37.825 38.000 -0.132 0.000 1.190 492 I HN 0.424 nan 8.210 nan 0.000 0.466 493 L N 0.000 121.301 121.223 0.130 0.000 2.949 493 L HA 0.000 4.340 4.340 0.000 0.000 0.249 493 L CA 0.000 54.880 54.840 0.066 0.000 0.813 493 L CB 0.000 42.055 42.059 -0.006 0.000 0.961 493 L HN 0.000 nan 8.230 nan 0.000 0.502