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_C 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 0.000 174.369 174.600 -0.385 0.000 1.055 10 S CA 0.000 58.004 58.200 -0.326 0.000 1.107 10 S CB 0.000 62.950 63.200 -0.417 0.000 0.593 11 Y N 2.855 123.141 120.300 -0.023 0.000 2.496 11 Y HA 0.477 5.026 4.550 -0.001 0.000 0.331 11 Y C 1.156 177.045 175.900 -0.018 0.000 1.140 11 Y CA -0.937 57.167 58.100 0.007 0.000 1.166 11 Y CB 0.468 38.949 38.460 0.036 0.000 1.249 11 Y HN 0.182 nan 8.280 nan 0.000 0.479 12 D N 0.321 120.836 120.400 0.193 0.000 2.097 12 D HA -0.168 4.472 4.640 -0.001 0.000 0.195 12 D C -0.430 175.701 176.300 -0.281 0.000 0.989 12 D CA 1.988 55.980 54.000 -0.012 0.000 0.827 12 D CB 0.045 40.937 40.800 0.154 0.000 0.966 12 D HN 0.412 nan 8.370 nan 0.000 0.456 13 Y N -0.069 120.275 120.300 0.073 0.000 2.570 13 Y HA 0.163 4.713 4.550 -0.001 0.000 0.345 13 Y C 1.098 176.986 175.900 -0.020 0.000 1.014 13 Y CA -0.986 57.108 58.100 -0.011 0.000 1.063 13 Y CB 1.645 40.053 38.460 -0.086 0.000 1.272 13 Y HN -0.308 nan 8.280 nan 0.000 0.477 14 D N 0.666 121.135 120.400 0.116 0.000 2.123 14 D HA -0.033 4.607 4.640 -0.001 0.000 0.200 14 D C -0.342 175.975 176.300 0.028 0.000 0.976 14 D CA 1.538 55.575 54.000 0.061 0.000 0.831 14 D CB 0.489 41.282 40.800 -0.011 0.000 0.974 14 D HN 0.176 nan 8.370 nan 0.000 0.469 15 L N 0.523 121.745 121.223 -0.002 0.000 2.464 15 L HA 0.404 4.744 4.340 -0.001 0.000 0.266 15 L C -1.552 175.198 176.870 -0.201 0.000 0.965 15 L CA -0.456 54.334 54.840 -0.084 0.000 0.833 15 L CB 2.301 44.376 42.059 0.028 0.000 1.296 15 L HN -0.217 nan 8.230 nan 0.000 0.405 16 I N 5.889 126.227 120.570 -0.388 0.000 2.378 16 I HA 0.424 4.594 4.170 -0.001 0.000 0.291 16 I C -0.575 175.473 176.117 -0.114 0.000 0.992 16 I CA -0.532 60.573 61.300 -0.326 0.000 1.154 16 I CB 1.742 39.527 38.000 -0.359 0.000 1.315 16 I HN 0.504 nan 8.210 nan 0.000 0.448 17 I N 7.141 127.663 120.570 -0.080 0.000 2.315 17 I HA 0.326 4.495 4.170 -0.001 0.000 0.291 17 I C -0.153 175.958 176.117 -0.010 0.000 1.006 17 I CA -0.449 60.847 61.300 -0.006 0.000 1.265 17 I CB 1.174 39.161 38.000 -0.022 0.000 1.387 17 I HN 0.366 nan 8.210 nan 0.000 0.475 18 I N 6.343 126.925 120.570 0.019 0.000 2.291 18 I HA 0.551 4.720 4.170 -0.001 0.000 0.290 18 I C 0.550 176.648 176.117 -0.032 0.000 1.050 18 I CA -0.245 61.028 61.300 -0.045 0.000 1.245 18 I CB 0.603 38.537 38.000 -0.110 0.000 1.405 18 I HN 0.815 nan 8.210 nan 0.000 0.478 19 G N 3.593 112.376 108.800 -0.029 0.000 3.363 19 G HA2 0.048 4.007 3.960 -0.001 0.000 0.685 19 G HA3 0.048 4.007 3.960 -0.001 0.000 0.685 19 G C -0.078 174.813 174.900 -0.015 0.000 1.199 19 G CA -0.562 44.535 45.100 -0.005 0.000 0.946 19 G HN 0.943 nan 8.290 nan 0.000 0.558 20 G N 0.792 109.578 108.800 -0.023 0.000 4.125 20 G HA2 0.675 4.635 3.960 -0.001 0.000 0.301 20 G HA3 0.675 4.635 3.960 -0.001 0.000 0.301 20 G C 0.856 175.664 174.900 -0.153 0.000 1.273 20 G CA 0.904 45.945 45.100 -0.099 0.000 1.095 20 G HN 1.243 nan 8.290 nan 0.000 0.582 21 G N -0.035 108.710 108.800 -0.093 0.000 2.510 21 G HA2 0.365 4.325 3.960 -0.001 0.000 0.280 21 G HA3 0.365 4.325 3.960 -0.001 0.000 0.280 21 G C 1.222 176.042 174.900 -0.133 0.000 1.386 21 G CA 0.303 45.346 45.100 -0.095 0.000 1.047 21 G HN 0.173 nan 8.290 nan 0.000 0.527 22 S N -0.272 115.379 115.700 -0.082 0.000 2.369 22 S HA -0.182 4.287 4.470 -0.001 0.000 0.225 22 S C 2.509 177.090 174.600 -0.032 0.000 1.043 22 S CA 1.995 60.163 58.200 -0.053 0.000 1.074 22 S CB -0.832 62.368 63.200 -0.000 0.000 0.962 22 S HN 0.812 nan 8.310 nan 0.000 0.433 23 G N 0.861 109.657 108.800 -0.006 0.000 2.433 23 G HA2 -0.025 3.935 3.960 -0.001 0.000 0.216 23 G HA3 -0.025 3.935 3.960 -0.001 0.000 0.216 23 G C 1.481 176.382 174.900 0.000 0.000 1.186 23 G CA 0.965 46.073 45.100 0.012 0.000 0.779 23 G HN 0.582 nan 8.290 nan 0.000 0.543 24 G N 0.879 109.670 108.800 -0.015 0.000 2.446 24 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.217 24 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.217 24 G C 1.814 176.690 174.900 -0.041 0.000 1.168 24 G CA 0.837 45.925 45.100 -0.021 0.000 0.771 24 G HN 0.416 nan 8.290 nan 0.000 0.551 25 L N 0.499 121.671 121.223 -0.086 0.000 2.156 25 L HA 0.043 4.383 4.340 -0.001 0.000 0.208 25 L C 3.378 180.235 176.870 -0.021 0.000 1.095 25 L CA 0.758 55.541 54.840 -0.096 0.000 0.770 25 L CB -0.351 41.563 42.059 -0.242 0.000 0.914 25 L HN 0.312 nan 8.230 nan 0.000 0.439 26 A N 0.250 123.067 122.820 -0.005 0.000 1.902 26 A HA -0.150 4.170 4.320 -0.001 0.000 0.217 26 A C 2.548 180.151 177.584 0.031 0.000 1.181 26 A CA 1.666 53.718 52.037 0.025 0.000 0.623 26 A CB -0.605 18.410 19.000 0.025 0.000 0.818 26 A HN 0.380 nan 8.150 nan 0.000 0.443 27 A N -0.087 122.749 122.820 0.026 0.000 1.902 27 A HA 0.165 4.484 4.320 -0.001 0.000 0.217 27 A C 2.518 180.131 177.584 0.048 0.000 1.181 27 A CA 2.125 54.186 52.037 0.041 0.000 0.623 27 A CB -1.055 17.964 19.000 0.032 0.000 0.818 27 A HN 1.017 nan 8.150 nan 0.000 0.443 28 A N -0.070 122.763 122.820 0.021 0.000 1.858 28 A HA -0.186 4.133 4.320 -0.001 0.000 0.216 28 A C 2.104 179.699 177.584 0.018 0.000 1.190 28 A CA 2.054 54.097 52.037 0.010 0.000 0.617 28 A CB -0.540 18.451 19.000 -0.016 0.000 0.827 28 A HN 0.504 nan 8.150 nan 0.000 0.443 29 K N -0.659 119.753 120.400 0.020 0.000 2.063 29 K HA -0.196 4.123 4.320 -0.001 0.000 0.208 29 K C 2.143 178.752 176.600 0.014 0.000 1.048 29 K CA 1.764 58.060 56.287 0.016 0.000 0.928 29 K CB -0.121 32.395 32.500 0.026 0.000 0.713 29 K HN 0.542 nan 8.250 nan 0.000 0.442 30 E N 0.510 120.741 120.200 0.053 0.000 2.072 30 E HA -0.097 4.252 4.350 -0.001 0.000 0.191 30 E C 1.779 178.495 176.600 0.193 0.000 0.985 30 E CA 1.342 57.806 56.400 0.107 0.000 0.801 30 E CB -0.145 29.645 29.700 0.151 0.000 0.750 30 E HN 0.297 nan 8.360 nan 0.000 0.452 31 A N 0.805 123.733 122.820 0.179 0.000 1.902 31 A HA -0.076 4.243 4.320 -0.001 0.000 0.217 31 A C 2.432 180.042 177.584 0.042 0.000 1.181 31 A CA 2.015 54.161 52.037 0.180 0.000 0.623 31 A CB -1.043 18.020 19.000 0.105 0.000 0.818 31 A HN 0.374 nan 8.150 nan 0.000 0.443 32 A N -1.243 121.572 122.820 -0.009 0.000 1.972 32 A HA -0.199 4.120 4.320 -0.001 0.000 0.219 32 A C 2.051 179.578 177.584 -0.094 0.000 1.169 32 A CA 1.990 53.997 52.037 -0.049 0.000 0.635 32 A CB -0.480 18.499 19.000 -0.034 0.000 0.810 32 A HN 0.506 nan 8.150 nan 0.000 0.446 33 Q N -1.325 118.376 119.800 -0.165 0.000 2.297 33 Q HA -0.136 4.204 4.340 -0.001 0.000 0.208 33 Q C 0.269 175.954 176.000 -0.525 0.000 0.981 33 Q CA 1.421 57.001 55.803 -0.371 0.000 0.876 33 Q CB -0.438 27.975 28.738 -0.541 0.000 0.921 33 Q HN 0.841 nan 8.270 nan 0.000 0.446 34 Y N -1.840 118.436 120.300 -0.040 0.000 2.708 34 Y HA 0.368 4.918 4.550 -0.001 0.000 0.287 34 Y C 1.253 177.103 175.900 -0.083 0.000 1.145 34 Y CA -0.055 58.020 58.100 -0.041 0.000 1.249 34 Y CB 0.501 38.959 38.460 -0.003 0.000 1.152 34 Y HN 0.086 nan 8.280 nan 0.000 0.532 35 G N 0.281 109.072 108.800 -0.015 0.000 2.153 35 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.252 35 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.252 35 G C 0.193 175.054 174.900 -0.065 0.000 0.994 35 G CA -0.216 44.864 45.100 -0.032 0.000 0.698 35 G HN 0.130 nan 8.290 nan 0.000 0.521 36 K N 0.232 120.555 120.400 -0.128 0.000 2.144 36 K HA 0.331 4.651 4.320 -0.001 0.000 0.270 36 K C 0.417 176.954 176.600 -0.106 0.000 1.005 36 K CA -0.612 55.551 56.287 -0.206 0.000 0.932 36 K CB 1.250 33.432 32.500 -0.531 0.000 1.021 36 K HN 0.236 nan 8.250 nan 0.000 0.462 37 K N 2.552 122.920 120.400 -0.053 0.000 2.284 37 K HA 0.200 4.519 4.320 -0.001 0.000 0.287 37 K C -0.935 175.760 176.600 0.160 0.000 1.081 37 K CA -0.285 56.034 56.287 0.054 0.000 0.910 37 K CB 0.470 32.981 32.500 0.017 0.000 1.088 37 K HN 0.212 nan 8.250 nan 0.000 0.478 38 V N 5.637 125.632 119.914 0.135 0.000 2.735 38 V HA 0.462 4.582 4.120 -0.001 0.000 0.310 38 V C -0.386 175.616 176.094 -0.152 0.000 1.061 38 V CA -0.961 61.342 62.300 0.004 0.000 0.913 38 V CB 1.841 33.642 31.823 -0.037 0.000 1.005 38 V HN 0.841 nan 8.190 nan 0.000 0.428 39 M N 4.362 123.698 119.600 -0.440 0.000 2.395 39 M HA 0.748 5.228 4.480 -0.001 0.000 0.307 39 M C -1.949 174.161 176.300 -0.316 0.000 1.091 39 M CA -0.485 54.474 55.300 -0.568 0.000 0.919 39 M CB 2.055 33.934 32.600 -1.201 0.000 1.662 39 M HN 0.432 nan 8.290 nan 0.000 0.440 40 V N 5.982 125.791 119.914 -0.175 0.000 2.417 40 V HA 0.462 4.582 4.120 -0.001 0.000 0.291 40 V C -0.479 175.601 176.094 -0.023 0.000 1.024 40 V CA -0.656 61.603 62.300 -0.069 0.000 0.861 40 V CB 1.709 33.536 31.823 0.006 0.000 0.985 40 V HN 0.790 nan 8.190 nan 0.000 0.436 41 L N 4.495 125.691 121.223 -0.044 0.000 2.272 41 L HA 0.611 4.951 4.340 -0.001 0.000 0.289 41 L C -0.732 176.175 176.870 0.062 0.000 1.032 41 L CA -0.219 54.612 54.840 -0.015 0.000 0.810 41 L CB 1.570 43.586 42.059 -0.072 0.000 1.205 41 L HN 0.648 nan 8.230 nan 0.000 0.422 42 D N 2.698 123.204 120.400 0.178 0.000 2.780 42 D HA 0.597 5.236 4.640 -0.001 0.000 0.242 42 D C -1.640 174.820 176.300 0.267 0.000 1.135 42 D CA -0.201 53.911 54.000 0.188 0.000 0.859 42 D CB 2.040 42.938 40.800 0.164 0.000 1.530 42 D HN 0.254 nan 8.370 nan 0.000 0.493 43 F N 3.565 123.547 119.950 0.053 0.000 2.605 43 F HA 0.401 4.927 4.527 -0.000 0.000 0.320 43 F C -1.664 174.149 175.800 0.022 0.000 1.159 43 F CA -0.690 57.345 58.000 0.058 0.000 0.999 43 F CB 1.550 40.636 39.000 0.144 0.000 1.258 43 F HN 0.158 nan 8.300 nan 0.000 0.464 44 V N 4.829 124.451 119.914 -0.487 0.000 2.288 44 V HA 0.223 4.342 4.120 -0.001 0.000 0.266 44 V C 0.248 176.026 176.094 -0.526 0.000 1.048 44 V CA -0.400 61.604 62.300 -0.493 0.000 0.842 44 V CB 0.881 32.148 31.823 -0.926 0.000 1.064 44 V HN 0.814 nan 8.190 nan 0.000 0.472 45 T N 4.788 119.295 114.554 -0.078 0.000 2.902 45 T HA 0.275 4.624 4.350 -0.001 0.000 0.301 45 T C -2.074 172.524 174.700 -0.170 0.000 1.012 45 T CA -0.955 61.152 62.100 0.012 0.000 1.151 45 T CB 0.728 69.667 68.868 0.118 0.000 0.946 45 T HN 0.416 nan 8.240 nan 0.000 0.542 46 P HA 0.243 nan 4.420 nan 0.000 0.272 46 P C 0.202 177.469 177.300 -0.054 0.000 1.240 46 P CA -0.490 62.510 63.100 -0.166 0.000 0.791 46 P CB 0.204 31.844 31.700 -0.100 0.000 0.978 47 T N 3.172 117.732 114.554 0.009 0.000 2.903 47 T HA 0.045 4.395 4.350 -0.001 0.000 0.314 47 T C -1.300 173.430 174.700 0.050 0.000 1.078 47 T CA -0.470 61.691 62.100 0.103 0.000 1.114 47 T CB -0.335 68.646 68.868 0.188 0.000 0.987 47 T HN 0.351 nan 8.240 nan 0.000 0.548 48 P HA -0.099 nan 4.420 nan 0.000 0.218 48 P C 1.183 178.486 177.300 0.006 0.000 1.154 48 P CA 1.217 64.301 63.100 -0.028 0.000 0.872 48 P CB 0.020 31.658 31.700 -0.104 0.000 0.790 49 L N -3.147 118.110 121.223 0.056 0.000 2.599 49 L HA 0.200 4.540 4.340 -0.001 0.000 0.230 49 L C 1.519 178.432 176.870 0.071 0.000 1.141 49 L CA 0.707 55.589 54.840 0.071 0.000 0.877 49 L CB -0.805 41.319 42.059 0.109 0.000 1.009 49 L HN 0.172 nan 8.230 nan 0.000 0.447 50 G N -0.508 108.326 108.800 0.055 0.000 2.176 50 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.232 50 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.232 50 G C 0.313 175.239 174.900 0.043 0.000 0.986 50 G CA 0.040 45.162 45.100 0.036 0.000 0.643 50 G HN 0.249 nan 8.290 nan 0.000 0.522 51 T N 1.781 116.391 114.554 0.092 0.000 2.853 51 T HA 0.549 4.899 4.350 -0.001 0.000 0.298 51 T C 0.677 175.393 174.700 0.028 0.000 0.978 51 T CA 0.350 62.540 62.100 0.150 0.000 1.152 51 T CB 0.903 69.945 68.868 0.290 0.000 0.914 51 T HN 0.612 nan 8.240 nan 0.000 0.539 52 R N 1.491 121.990 120.500 -0.001 0.000 2.888 52 R HA 0.809 5.149 4.340 -0.001 0.000 0.264 52 R C -1.235 175.081 176.300 0.027 0.000 1.045 52 R CA -1.147 54.770 56.100 -0.305 0.000 0.962 52 R CB 1.802 31.946 30.300 -0.259 0.000 1.210 52 R HN 0.782 nan 8.270 nan 0.000 0.479 53 W N -1.459 119.823 121.300 -0.029 0.000 2.937 53 W HA 0.709 5.368 4.660 -0.001 0.000 0.360 53 W C -0.690 175.796 176.519 -0.055 0.000 1.215 53 W CA -1.239 56.094 57.345 -0.018 0.000 1.183 53 W CB -0.015 29.450 29.460 0.009 0.000 1.458 53 W HN 0.711 nan 8.180 nan 0.000 0.574 54 G N 0.352 109.291 108.800 0.232 0.000 2.531 54 G HA2 0.488 4.447 3.960 -0.001 0.000 0.281 54 G HA3 0.488 4.447 3.960 -0.001 0.000 0.281 54 G C -1.074 173.859 174.900 0.055 0.000 1.382 54 G CA -0.988 44.142 45.100 0.049 0.000 1.045 54 G HN 0.731 nan 8.290 nan 0.000 0.533 55 L N -0.358 120.800 121.223 -0.107 0.000 2.473 55 L HA 0.456 4.796 4.340 -0.001 0.000 0.268 55 L C 1.490 178.276 176.870 -0.141 0.000 1.215 55 L CA 2.147 56.870 54.840 -0.195 0.000 0.823 55 L CB 1.054 42.849 42.059 -0.440 0.000 1.099 55 L HN 1.270 nan 8.230 nan 0.000 0.483 56 G N 0.749 109.384 108.800 -0.276 0.000 2.284 56 G HA2 0.211 4.170 3.960 -0.001 0.000 0.201 56 G HA3 0.211 4.170 3.960 -0.001 0.000 0.201 56 G C 0.839 175.626 174.900 -0.188 0.000 0.998 56 G CA 0.112 44.978 45.100 -0.389 0.000 0.651 56 G HN 1.859 nan 8.290 nan 0.000 0.489 57 G N -1.033 107.750 108.800 -0.029 0.000 2.632 57 G HA2 0.047 4.006 3.960 -0.001 0.000 0.224 57 G HA3 0.047 4.006 3.960 -0.001 0.000 0.224 57 G C 0.858 175.783 174.900 0.042 0.000 1.341 57 G CA 0.874 46.007 45.100 0.056 0.000 0.880 57 G HN 1.221 nan 8.290 nan 0.000 0.566 58 T N -0.350 114.230 114.554 0.044 0.000 2.737 58 T HA -0.166 4.183 4.350 -0.001 0.000 0.265 58 T C 2.515 177.167 174.700 -0.080 0.000 1.038 58 T CA 2.680 64.770 62.100 -0.016 0.000 1.144 58 T CB -0.730 68.169 68.868 0.052 0.000 0.866 58 T HN 1.205 nan 8.240 nan 0.000 0.434 59 C N 1.423 120.703 119.300 -0.033 0.000 2.388 59 C HA -0.104 4.355 4.460 -0.001 0.000 0.277 59 C C 2.739 177.677 174.990 -0.087 0.000 1.210 59 C CA 0.915 59.910 59.018 -0.039 0.000 1.743 59 C CB -1.264 26.476 27.740 -0.001 0.000 2.047 59 C HN 0.375 nan 8.230 nan 0.000 0.458 60 V N 1.881 121.760 119.914 -0.058 0.000 2.343 60 V HA -0.167 3.952 4.120 -0.001 0.000 0.247 60 V C 2.372 178.389 176.094 -0.128 0.000 1.051 60 V CA 2.472 64.746 62.300 -0.043 0.000 1.036 60 V CB -0.713 31.144 31.823 0.057 0.000 0.654 60 V HN 0.611 nan 8.190 nan 0.000 0.451 61 N N -0.948 117.626 118.700 -0.211 0.000 2.387 61 N HA 0.044 4.784 4.740 -0.001 0.000 0.176 61 N C 0.995 176.228 175.510 -0.462 0.000 1.022 61 N CA 0.969 53.812 53.050 -0.345 0.000 0.883 61 N CB 1.291 39.434 38.487 -0.573 0.000 1.019 61 N HN 0.353 nan 8.380 nan 0.000 0.435 62 V N -0.223 119.411 119.914 -0.467 0.000 3.486 62 V HA 0.328 4.448 4.120 -0.001 0.000 0.335 62 V C 0.396 176.397 176.094 -0.155 0.000 1.506 62 V CA 0.044 62.142 62.300 -0.336 0.000 1.206 62 V CB 0.941 32.365 31.823 -0.665 0.000 1.049 62 V HN 0.293 nan 8.190 nan 0.000 0.502 63 G N -0.839 107.793 108.800 -0.280 0.000 3.418 63 G HA2 0.173 4.133 3.960 -0.001 0.000 0.179 63 G HA3 0.173 4.133 3.960 -0.001 0.000 0.179 63 G C 1.247 176.022 174.900 -0.208 0.000 1.212 63 G CA 0.782 45.806 45.100 -0.127 0.000 0.935 63 G HN 0.172 nan 8.290 nan 0.000 0.716 64 C N 1.036 120.286 119.300 -0.083 0.000 2.398 64 C HA -0.032 4.428 4.460 -0.001 0.000 0.276 64 C C 2.729 177.604 174.990 -0.192 0.000 1.222 64 C CA 0.495 59.467 59.018 -0.076 0.000 1.746 64 C CB -1.340 26.393 27.740 -0.011 0.000 2.039 64 C HN 0.395 nan 8.230 nan 0.000 0.470 65 I N 2.574 123.027 120.570 -0.196 0.000 2.090 65 I HA -0.088 4.081 4.170 -0.001 0.000 0.236 65 I C 0.191 176.123 176.117 -0.308 0.000 1.064 65 I CA 1.596 62.778 61.300 -0.197 0.000 1.324 65 I CB -2.768 35.174 38.000 -0.097 0.000 1.044 65 I HN 0.212 nan 8.210 nan 0.000 0.399 66 P HA -0.192 nan 4.420 nan 0.000 0.217 66 P C 1.653 178.547 177.300 -0.677 0.000 1.150 66 P CA 1.530 64.276 63.100 -0.590 0.000 0.832 66 P CB -0.132 31.052 31.700 -0.861 0.000 0.787 67 K N 1.176 121.135 120.400 -0.735 0.000 2.026 67 K HA -0.186 4.133 4.320 -0.001 0.000 0.208 67 K C 2.152 178.584 176.600 -0.281 0.000 1.048 67 K CA 1.805 57.885 56.287 -0.344 0.000 0.929 67 K CB -0.416 32.041 32.500 -0.072 0.000 0.713 67 K HN -0.077 nan 8.250 nan 0.000 0.439 68 K N 0.911 121.126 120.400 -0.307 0.000 2.097 68 K HA -0.013 4.306 4.320 -0.001 0.000 0.205 68 K C 2.260 178.700 176.600 -0.266 0.000 1.050 68 K CA 0.885 56.971 56.287 -0.334 0.000 0.938 68 K CB -0.162 32.056 32.500 -0.470 0.000 0.718 68 K HN 0.154 nan 8.250 nan 0.000 0.442 69 L N 0.043 121.084 121.223 -0.304 0.000 2.046 69 L HA -0.150 4.189 4.340 -0.001 0.000 0.208 69 L C 2.484 179.169 176.870 -0.307 0.000 1.077 69 L CA 1.363 56.032 54.840 -0.285 0.000 0.747 69 L CB -0.332 41.558 42.059 -0.282 0.000 0.896 69 L HN 0.282 nan 8.230 nan 0.000 0.432 70 M N -1.503 117.829 119.600 -0.446 0.000 2.254 70 M HA -0.190 4.289 4.480 -0.001 0.000 0.265 70 M C 2.324 178.355 176.300 -0.448 0.000 1.066 70 M CA 1.306 56.241 55.300 -0.609 0.000 1.123 70 M CB -0.623 31.258 32.600 -1.198 0.000 1.388 70 M HN 0.264 nan 8.290 nan 0.000 0.425 71 H N 0.577 119.400 119.070 -0.410 0.000 2.387 71 H HA -0.208 4.347 4.556 -0.001 0.000 0.299 71 H C 2.018 177.313 175.328 -0.054 0.000 1.099 71 H CA 2.195 58.205 56.048 -0.065 0.000 1.315 71 H CB -0.070 29.706 29.762 0.022 0.000 1.380 71 H HN 0.286 nan 8.280 nan 0.000 0.513 72 Q N 0.323 119.972 119.800 -0.252 0.000 2.079 72 Q HA -0.031 4.309 4.340 -0.001 0.000 0.200 72 Q C 2.411 178.296 176.000 -0.192 0.000 0.974 72 Q CA 1.782 57.434 55.803 -0.252 0.000 0.840 72 Q CB -0.683 27.940 28.738 -0.192 0.000 0.898 72 Q HN 0.549 nan 8.270 nan 0.000 0.430 73 A N 0.431 123.151 122.820 -0.167 0.000 1.908 73 A HA -0.145 4.175 4.320 -0.001 0.000 0.218 73 A C 2.308 179.827 177.584 -0.108 0.000 1.181 73 A CA 2.127 54.097 52.037 -0.111 0.000 0.627 73 A CB -1.297 17.644 19.000 -0.098 0.000 0.818 73 A HN 0.548 nan 8.150 nan 0.000 0.445 74 A N -0.401 122.362 122.820 -0.095 0.000 1.877 74 A HA -0.035 4.284 4.320 -0.001 0.000 0.216 74 A C 2.185 179.720 177.584 -0.082 0.000 1.186 74 A CA 1.476 53.487 52.037 -0.043 0.000 0.620 74 A CB -0.656 18.395 19.000 0.085 0.000 0.822 74 A HN 0.472 nan 8.150 nan 0.000 0.443 75 L N -0.688 120.430 121.223 -0.174 0.000 2.079 75 L HA -0.210 4.130 4.340 -0.001 0.000 0.210 75 L C 2.527 179.343 176.870 -0.090 0.000 1.081 75 L CA 1.171 55.921 54.840 -0.150 0.000 0.752 75 L CB -0.480 41.446 42.059 -0.221 0.000 0.896 75 L HN 0.387 nan 8.230 nan 0.000 0.433 76 L N -0.859 120.308 121.223 -0.093 0.000 2.201 76 L HA -0.103 4.237 4.340 -0.001 0.000 0.212 76 L C 2.636 179.480 176.870 -0.044 0.000 1.105 76 L CA 1.010 55.809 54.840 -0.068 0.000 0.775 76 L CB -0.986 41.032 42.059 -0.069 0.000 0.913 76 L HN 0.301 nan 8.230 nan 0.000 0.440 77 G N -0.529 108.250 108.800 -0.036 0.000 2.446 77 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.217 77 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.217 77 G C 1.517 176.408 174.900 -0.016 0.000 1.168 77 G CA 0.856 45.947 45.100 -0.015 0.000 0.771 77 G HN 0.286 nan 8.290 nan 0.000 0.551 78 Q N 0.714 120.496 119.800 -0.030 0.000 2.119 78 Q HA 0.179 4.519 4.340 -0.001 0.000 0.201 78 Q C 2.649 178.633 176.000 -0.027 0.000 0.972 78 Q CA 1.757 57.538 55.803 -0.038 0.000 0.847 78 Q CB -0.645 28.052 28.738 -0.068 0.000 0.903 78 Q HN 0.373 nan 8.270 nan 0.000 0.433 79 A N 0.164 122.966 122.820 -0.031 0.000 1.908 79 A HA -0.155 4.165 4.320 -0.001 0.000 0.218 79 A C 2.093 179.662 177.584 -0.024 0.000 1.181 79 A CA 1.471 53.489 52.037 -0.031 0.000 0.627 79 A CB -0.804 18.160 19.000 -0.060 0.000 0.818 79 A HN 0.455 nan 8.150 nan 0.000 0.445 80 L N -0.897 120.311 121.223 -0.025 0.000 2.042 80 L HA -0.288 4.051 4.340 -0.001 0.000 0.210 80 L C 2.941 179.831 176.870 0.033 0.000 1.076 80 L CA 1.835 56.669 54.840 -0.009 0.000 0.749 80 L CB -0.607 41.449 42.059 -0.004 0.000 0.893 80 L HN 0.487 nan 8.230 nan 0.000 0.432 81 Q N -0.312 119.508 119.800 0.033 0.000 2.016 81 Q HA -0.212 4.128 4.340 -0.001 0.000 0.200 81 Q C 1.919 177.969 176.000 0.085 0.000 0.978 81 Q CA 1.625 57.458 55.803 0.050 0.000 0.833 81 Q CB -0.166 28.589 28.738 0.029 0.000 0.895 81 Q HN 0.437 nan 8.270 nan 0.000 0.427 82 D N 0.270 120.723 120.400 0.088 0.000 2.158 82 D HA -0.165 4.474 4.640 -0.001 0.000 0.197 82 D C 2.096 178.573 176.300 0.296 0.000 0.995 82 D CA 1.671 55.776 54.000 0.174 0.000 0.846 82 D CB -0.385 40.509 40.800 0.156 0.000 0.941 82 D HN 0.249 nan 8.370 nan 0.000 0.456 83 S N 0.434 116.267 115.700 0.221 0.000 2.400 83 S HA -0.190 4.279 4.470 -0.001 0.000 0.232 83 S C 1.916 176.766 174.600 0.416 0.000 1.025 83 S CA 0.720 59.117 58.200 0.329 0.000 0.993 83 S CB -0.210 63.066 63.200 0.127 0.000 0.808 83 S HN 0.195 nan 8.310 nan 0.000 0.478 84 R N 1.640 122.297 120.500 0.261 0.000 2.083 84 R HA -0.073 4.266 4.340 -0.001 0.000 0.237 84 R C 2.027 178.423 176.300 0.159 0.000 1.137 84 R CA 1.997 58.216 56.100 0.198 0.000 0.951 84 R CB -0.669 29.707 30.300 0.126 0.000 0.851 84 R HN 0.561 nan 8.270 nan 0.000 0.434 85 N N -0.470 118.310 118.700 0.134 0.000 2.396 85 N HA -0.128 4.612 4.740 -0.001 0.000 0.180 85 N C 0.952 176.431 175.510 -0.052 0.000 1.028 85 N CA 0.893 53.952 53.050 0.015 0.000 0.893 85 N CB -0.125 38.331 38.487 -0.052 0.000 0.967 85 N HN 0.267 nan 8.380 nan 0.000 0.440 86 Y N -0.443 119.911 120.300 0.091 0.000 2.578 86 Y HA 0.185 4.734 4.550 -0.001 0.000 0.297 86 Y C 1.734 177.605 175.900 -0.048 0.000 1.176 86 Y CA 0.538 58.681 58.100 0.072 0.000 1.315 86 Y CB 0.145 38.713 38.460 0.179 0.000 1.031 86 Y HN 0.165 nan 8.280 nan 0.000 0.524 87 G N -2.221 106.618 108.800 0.065 0.000 2.192 87 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.193 87 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.193 87 G C -0.331 174.464 174.900 -0.176 0.000 0.999 87 G CA -0.703 44.331 45.100 -0.111 0.000 0.659 87 G HN 0.218 nan 8.290 nan 0.000 0.503 88 W N 1.980 123.325 121.300 0.075 0.000 2.287 88 W HA 0.597 5.256 4.660 -0.001 0.000 0.313 88 W C 0.798 177.342 176.519 0.041 0.000 1.267 88 W CA -0.532 56.843 57.345 0.051 0.000 1.201 88 W CB 0.724 30.213 29.460 0.048 0.000 1.196 88 W HN -0.082 nan 8.180 nan 0.000 0.536 89 K N 3.444 123.994 120.400 0.251 0.000 2.142 89 K HA 0.296 4.616 4.320 -0.001 0.000 0.250 89 K C -0.690 176.000 176.600 0.149 0.000 1.148 89 K CA -0.320 56.057 56.287 0.150 0.000 1.040 89 K CB 0.155 32.713 32.500 0.096 0.000 1.569 89 K HN 0.199 nan 8.250 nan 0.000 0.361 90 V N 1.570 121.567 119.914 0.139 0.000 2.547 90 V HA 0.215 4.334 4.120 -0.001 0.000 0.299 90 V C 0.603 176.740 176.094 0.072 0.000 1.040 90 V CA -0.935 61.426 62.300 0.101 0.000 0.913 90 V CB 1.333 33.214 31.823 0.097 0.000 0.992 90 V HN 0.737 nan 8.190 nan 0.000 0.449 91 E N 1.307 121.540 120.200 0.055 0.000 2.502 91 E HA 0.037 4.386 4.350 -0.001 0.000 0.261 91 E C 1.264 177.890 176.600 0.044 0.000 0.974 91 E CA 0.760 57.187 56.400 0.044 0.000 0.936 91 E CB 0.281 30.003 29.700 0.037 0.000 0.926 91 E HN 0.799 nan 8.360 nan 0.000 0.459 92 E N 1.089 121.312 120.200 0.039 0.000 2.097 92 E HA -0.105 4.245 4.350 -0.001 0.000 0.196 92 E C 0.650 177.272 176.600 0.037 0.000 1.000 92 E CA 1.850 58.272 56.400 0.038 0.000 0.804 92 E CB -0.107 29.612 29.700 0.031 0.000 0.740 92 E HN 0.827 nan 8.360 nan 0.000 0.454 93 T N -0.026 114.549 114.554 0.035 0.000 2.812 93 T HA 0.590 4.939 4.350 -0.001 0.000 0.282 93 T C -0.713 174.011 174.700 0.039 0.000 0.990 93 T CA -0.598 61.524 62.100 0.037 0.000 0.960 93 T CB 1.860 70.749 68.868 0.034 0.000 0.948 93 T HN 0.050 nan 8.240 nan 0.000 0.438 94 V N 3.278 123.218 119.914 0.044 0.000 2.394 94 V HA 0.389 4.508 4.120 -0.001 0.000 0.282 94 V C 0.503 176.637 176.094 0.066 0.000 1.031 94 V CA -0.786 61.542 62.300 0.048 0.000 0.881 94 V CB 1.460 33.309 31.823 0.043 0.000 0.982 94 V HN 0.766 nan 8.190 nan 0.000 0.451 95 K N 2.904 123.344 120.400 0.066 0.000 2.126 95 K HA 0.369 4.689 4.320 -0.001 0.000 0.257 95 K C -0.312 176.363 176.600 0.126 0.000 1.007 95 K CA -0.627 55.714 56.287 0.091 0.000 0.928 95 K CB 1.178 33.718 32.500 0.068 0.000 1.013 95 K HN 0.828 nan 8.250 nan 0.000 0.473 96 H N 0.790 119.896 119.070 0.061 0.000 2.524 96 H HA 0.326 4.882 4.556 -0.001 0.000 0.353 96 H C -1.491 173.897 175.328 0.101 0.000 1.136 96 H CA -0.553 55.538 56.048 0.073 0.000 1.193 96 H CB 1.934 31.750 29.762 0.091 0.000 1.558 96 H HN 0.616 nan 8.280 nan 0.000 0.515 97 D N 4.691 124.764 120.400 -0.544 0.000 2.414 97 D HA -0.012 4.627 4.640 -0.001 0.000 0.232 97 D C 0.939 177.110 176.300 -0.216 0.000 1.070 97 D CA -0.574 53.289 54.000 -0.228 0.000 0.839 97 D CB 0.315 41.023 40.800 -0.154 0.000 1.079 97 D HN 0.611 nan 8.370 nan 0.000 0.521 98 W N 4.099 125.380 121.300 -0.032 0.000 2.333 98 W HA -0.205 4.454 4.660 -0.001 0.000 0.316 98 W C 0.532 177.071 176.519 0.034 0.000 1.215 98 W CA 1.259 58.658 57.345 0.091 0.000 1.278 98 W CB 0.143 29.677 29.460 0.124 0.000 1.154 98 W HN 0.425 nan 8.180 nan 0.000 0.486 99 D N -0.223 120.297 120.400 0.199 0.000 2.123 99 D HA -0.213 4.426 4.640 -0.001 0.000 0.196 99 D C 2.209 178.476 176.300 -0.056 0.000 0.992 99 D CA 1.541 55.594 54.000 0.090 0.000 0.833 99 D CB -0.617 40.266 40.800 0.139 0.000 0.954 99 D HN 0.218 nan 8.370 nan 0.000 0.455 100 R N -0.040 120.413 120.500 -0.077 0.000 2.092 100 R HA -0.042 4.298 4.340 -0.001 0.000 0.231 100 R C 2.304 178.515 176.300 -0.149 0.000 1.119 100 R CA 0.772 56.811 56.100 -0.102 0.000 0.970 100 R CB -0.218 30.019 30.300 -0.106 0.000 0.864 100 R HN 0.175 nan 8.270 nan 0.000 0.440 101 M N 0.318 119.788 119.600 -0.216 0.000 2.086 101 M HA -0.190 4.289 4.480 -0.001 0.000 0.261 101 M C 1.586 177.722 176.300 -0.273 0.000 1.067 101 M CA 1.551 56.716 55.300 -0.226 0.000 1.116 101 M CB 0.022 32.500 32.600 -0.204 0.000 1.348 101 M HN 0.106 nan 8.290 nan 0.000 0.407 102 I N 0.436 120.780 120.570 -0.378 0.000 2.226 102 I HA -0.210 3.959 4.170 -0.001 0.000 0.245 102 I C 2.480 178.518 176.117 -0.132 0.000 1.100 102 I CA 1.131 62.254 61.300 -0.295 0.000 1.374 102 I CB -1.820 35.997 38.000 -0.304 0.000 1.057 102 I HN 0.273 nan 8.210 nan 0.000 0.413 103 E N 0.543 120.685 120.200 -0.096 0.000 2.070 103 E HA -0.226 4.123 4.350 -0.001 0.000 0.197 103 E C 2.443 179.017 176.600 -0.043 0.000 1.004 103 E CA 1.347 57.721 56.400 -0.044 0.000 0.805 103 E CB -0.692 28.989 29.700 -0.031 0.000 0.744 103 E HN 0.674 nan 8.360 nan 0.000 0.451 104 A N 0.130 122.908 122.820 -0.069 0.000 1.877 104 A HA -0.130 4.190 4.320 -0.001 0.000 0.216 104 A C 2.567 180.123 177.584 -0.046 0.000 1.186 104 A CA 1.749 53.750 52.037 -0.059 0.000 0.620 104 A CB -0.740 18.209 19.000 -0.085 0.000 0.822 104 A HN 0.342 nan 8.150 nan 0.000 0.443 105 V N 0.008 119.873 119.914 -0.081 0.000 2.295 105 V HA -0.247 3.873 4.120 -0.001 0.000 0.246 105 V C 2.723 178.811 176.094 -0.010 0.000 1.049 105 V CA 2.014 64.272 62.300 -0.070 0.000 1.024 105 V CB -0.742 31.003 31.823 -0.130 0.000 0.648 105 V HN 0.538 nan 8.190 nan 0.000 0.447 106 Q N -0.163 119.630 119.800 -0.011 0.000 2.170 106 Q HA -0.214 4.125 4.340 -0.001 0.000 0.203 106 Q C 2.091 178.115 176.000 0.040 0.000 0.976 106 Q CA 1.889 57.706 55.803 0.023 0.000 0.858 106 Q CB -0.744 28.014 28.738 0.034 0.000 0.907 106 Q HN 0.780 nan 8.270 nan 0.000 0.433 107 N N 0.076 118.797 118.700 0.034 0.000 2.084 107 N HA -0.193 4.547 4.740 -0.001 0.000 0.190 107 N C 1.858 177.402 175.510 0.056 0.000 1.030 107 N CA 1.197 54.271 53.050 0.040 0.000 0.849 107 N CB -0.091 38.412 38.487 0.026 0.000 1.012 107 N HN 0.323 nan 8.380 nan 0.000 0.423 108 H N 0.171 119.221 119.070 -0.033 0.000 2.321 108 H HA -0.052 4.504 4.556 -0.001 0.000 0.300 108 H C 2.034 177.349 175.328 -0.023 0.000 1.087 108 H CA 1.663 57.688 56.048 -0.039 0.000 1.319 108 H CB -0.059 29.661 29.762 -0.070 0.000 1.379 108 H HN 0.288 nan 8.280 nan 0.000 0.501 109 I N 0.253 120.819 120.570 -0.007 0.000 2.208 109 I HA -0.220 3.950 4.170 -0.001 0.000 0.245 109 I C 2.915 179.018 176.117 -0.022 0.000 1.097 109 I CA 1.162 62.437 61.300 -0.042 0.000 1.363 109 I CB -0.611 37.384 38.000 -0.008 0.000 1.051 109 I HN 0.302 nan 8.210 nan 0.000 0.413 110 G N 0.537 109.357 108.800 0.034 0.000 2.442 110 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.219 110 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.219 110 G C 1.798 176.786 174.900 0.147 0.000 1.141 110 G CA 1.216 46.391 45.100 0.125 0.000 0.763 110 G HN 0.520 nan 8.290 nan 0.000 0.554 111 S N 0.164 115.865 115.700 0.001 0.000 2.428 111 S HA 0.097 4.566 4.470 -0.001 0.000 0.230 111 S C 2.331 176.877 174.600 -0.090 0.000 1.014 111 S CA 0.807 58.989 58.200 -0.031 0.000 0.957 111 S CB -0.253 62.874 63.200 -0.122 0.000 0.784 111 S HN 0.310 nan 8.310 nan 0.000 0.499 112 L N 1.268 122.379 121.223 -0.187 0.000 2.072 112 L HA -0.043 4.297 4.340 -0.001 0.000 0.205 112 L C 2.606 179.447 176.870 -0.049 0.000 1.079 112 L CA 1.080 55.801 54.840 -0.199 0.000 0.752 112 L CB -0.933 41.016 42.059 -0.184 0.000 0.906 112 L HN 0.289 nan 8.230 nan 0.000 0.436 113 N N -0.062 118.654 118.700 0.028 0.000 2.036 113 N HA -0.234 4.505 4.740 -0.001 0.000 0.195 113 N C 1.572 177.014 175.510 -0.114 0.000 1.037 113 N CA 1.745 54.786 53.050 -0.015 0.000 0.855 113 N CB -0.491 37.950 38.487 -0.077 0.000 1.033 113 N HN 0.370 nan 8.380 nan 0.000 0.423 114 W N 1.069 122.355 121.300 -0.023 0.000 2.476 114 W HA 0.145 4.805 4.660 -0.000 0.000 0.281 114 W C 2.521 179.002 176.519 -0.064 0.000 1.230 114 W CA 0.900 58.228 57.345 -0.029 0.000 1.287 114 W CB -0.815 28.627 29.460 -0.029 0.000 1.108 114 W HN 0.105 nan 8.180 nan 0.000 0.567 115 G N 0.006 108.837 108.800 0.050 0.000 2.513 115 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.219 115 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.219 115 G C 1.151 175.957 174.900 -0.156 0.000 1.160 115 G CA 1.447 46.477 45.100 -0.117 0.000 0.767 115 G HN 0.231 nan 8.290 nan 0.000 0.571 116 Y N 0.546 120.800 120.300 -0.078 0.000 2.200 116 Y HA 0.018 4.567 4.550 -0.000 0.000 0.290 116 Y C 3.098 178.905 175.900 -0.156 0.000 1.137 116 Y CA 1.274 59.296 58.100 -0.129 0.000 1.163 116 Y CB -0.396 37.951 38.460 -0.188 0.000 0.988 116 Y HN 0.061 nan 8.280 nan 0.000 0.518 117 R N -0.619 119.858 120.500 -0.039 0.000 2.083 117 R HA -0.158 4.182 4.340 -0.001 0.000 0.237 117 R C 2.206 178.534 176.300 0.047 0.000 1.137 117 R CA 1.752 57.793 56.100 -0.099 0.000 0.951 117 R CB -0.797 29.350 30.300 -0.254 0.000 0.851 117 R HN 0.174 nan 8.270 nan 0.000 0.434 118 V N 0.715 120.691 119.914 0.102 0.000 2.358 118 V HA -0.223 3.897 4.120 -0.001 0.000 0.246 118 V C 2.400 178.524 176.094 0.050 0.000 1.047 118 V CA 1.872 64.231 62.300 0.099 0.000 1.035 118 V CB -0.666 31.217 31.823 0.100 0.000 0.658 118 V HN 0.437 nan 8.190 nan 0.000 0.452 119 A N -0.068 122.768 122.820 0.027 0.000 1.892 119 A HA -0.215 4.104 4.320 -0.001 0.000 0.218 119 A C 2.211 179.813 177.584 0.029 0.000 1.188 119 A CA 2.071 54.118 52.037 0.017 0.000 0.631 119 A CB -0.621 18.386 19.000 0.012 0.000 0.822 119 A HN 0.506 nan 8.150 nan 0.000 0.447 120 L N -1.434 119.810 121.223 0.036 0.000 2.046 120 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 120 L C 2.880 179.775 176.870 0.042 0.000 1.077 120 L CA 1.442 56.300 54.840 0.031 0.000 0.747 120 L CB -0.570 41.500 42.059 0.018 0.000 0.896 120 L HN 0.398 nan 8.230 nan 0.000 0.432 121 R N 0.396 120.930 120.500 0.056 0.000 2.083 121 R HA -0.172 4.168 4.340 -0.001 0.000 0.237 121 R C 2.137 178.462 176.300 0.041 0.000 1.137 121 R CA 1.599 57.736 56.100 0.062 0.000 0.951 121 R CB -0.186 30.162 30.300 0.081 0.000 0.851 121 R HN 0.428 nan 8.270 nan 0.000 0.434 122 E N 0.449 120.668 120.200 0.032 0.000 2.153 122 E HA -0.167 4.182 4.350 -0.001 0.000 0.194 122 E C 1.321 177.925 176.600 0.006 0.000 0.988 122 E CA 1.060 57.470 56.400 0.017 0.000 0.811 122 E CB -0.014 29.691 29.700 0.009 0.000 0.746 122 E HN 0.387 nan 8.360 nan 0.000 0.466 123 K N 0.758 121.162 120.400 0.006 0.000 2.437 123 K HA 0.100 4.419 4.320 -0.001 0.000 0.198 123 K C -0.119 176.481 176.600 -0.000 0.000 1.024 123 K CA -0.102 56.182 56.287 -0.006 0.000 1.148 123 K CB 0.305 32.798 32.500 -0.012 0.000 0.860 123 K HN -0.017 nan 8.250 nan 0.000 0.515 124 K N 0.621 121.029 120.400 0.014 0.000 3.150 124 K HA -0.135 4.184 4.320 -0.001 0.000 0.267 124 K C -0.812 175.807 176.600 0.031 0.000 1.028 124 K CA 0.278 56.578 56.287 0.023 0.000 0.753 124 K CB -1.870 30.638 32.500 0.013 0.000 1.288 124 K HN -0.005 nan 8.250 nan 0.000 0.473 125 V N 1.389 121.322 119.914 0.032 0.000 2.384 125 V HA 0.202 4.322 4.120 -0.001 0.000 0.287 125 V C 0.691 176.807 176.094 0.038 0.000 1.020 125 V CA -0.944 61.372 62.300 0.026 0.000 0.850 125 V CB 1.855 33.684 31.823 0.009 0.000 0.987 125 V HN 0.088 nan 8.190 nan 0.000 0.436 126 V N 5.843 125.769 119.914 0.019 0.000 2.479 126 V HA 0.095 4.215 4.120 -0.001 0.000 0.281 126 V C -0.364 175.722 176.094 -0.014 0.000 1.031 126 V CA -0.067 62.232 62.300 -0.001 0.000 1.038 126 V CB 0.321 32.129 31.823 -0.025 0.000 0.981 126 V HN 0.764 nan 8.190 nan 0.000 0.478 127 Y N 4.938 125.187 120.300 -0.086 0.000 2.331 127 Y HA 0.666 5.215 4.550 -0.001 0.000 0.338 127 Y C -0.286 175.566 175.900 -0.080 0.000 0.992 127 Y CA -1.504 56.539 58.100 -0.096 0.000 1.121 127 Y CB 1.573 39.989 38.460 -0.075 0.000 1.184 127 Y HN 0.701 nan 8.280 nan 0.000 0.469 128 E N 4.808 124.671 120.200 -0.562 0.000 2.185 128 E HA 0.224 4.573 4.350 -0.001 0.000 0.261 128 E C -1.097 175.176 176.600 -0.545 0.000 0.879 128 E CA -0.320 55.761 56.400 -0.531 0.000 0.756 128 E CB 0.559 30.096 29.700 -0.272 0.000 1.152 128 E HN 0.763 nan 8.360 nan 0.000 0.416 129 N N 3.480 121.819 118.700 -0.602 0.000 2.971 129 N HA 0.266 5.006 4.740 -0.001 0.000 0.294 129 N C -1.219 174.361 175.510 0.116 0.000 1.210 129 N CA 0.048 52.991 53.050 -0.178 0.000 1.157 129 N CB 0.006 38.419 38.487 -0.122 0.000 1.450 129 N HN 0.407 nan 8.380 nan 0.000 0.527 130 A N 2.180 125.088 122.820 0.146 0.000 2.539 130 A HA 0.282 4.601 4.320 -0.001 0.000 0.296 130 A C -1.736 175.901 177.584 0.087 0.000 1.073 130 A CA -0.615 51.501 52.037 0.132 0.000 0.700 130 A CB 0.853 19.886 19.000 0.055 0.000 1.296 130 A HN 0.549 nan 8.150 nan 0.000 0.405 131 Y N 1.297 121.410 120.300 -0.311 0.000 2.365 131 Y HA 0.477 5.026 4.550 -0.002 0.000 0.340 131 Y C 0.835 176.634 175.900 -0.168 0.000 1.016 131 Y CA 0.497 58.413 58.100 -0.307 0.000 1.196 131 Y CB 0.818 38.901 38.460 -0.628 0.000 1.167 131 Y HN 0.808 nan 8.280 nan 0.000 0.509 132 G N 4.886 113.419 108.800 -0.445 0.000 2.400 132 G HA2 0.492 4.451 3.960 -0.001 0.000 0.301 132 G HA3 0.492 4.451 3.960 -0.001 0.000 0.301 132 G C -1.376 173.280 174.900 -0.406 0.000 1.154 132 G CA -0.565 44.333 45.100 -0.335 0.000 0.852 132 G HN 0.669 nan 8.290 nan 0.000 0.511 133 Q N 0.462 120.103 119.800 -0.264 0.000 2.313 133 Q HA 0.180 4.519 4.340 -0.001 0.000 0.255 133 Q C -1.303 174.600 176.000 -0.161 0.000 0.944 133 Q CA -0.632 55.070 55.803 -0.169 0.000 0.881 133 Q CB 2.066 30.810 28.738 0.011 0.000 1.375 133 Q HN 0.506 nan 8.270 nan 0.000 0.422 134 F N 3.014 122.912 119.950 -0.087 0.000 2.563 134 F HA 0.034 4.560 4.527 -0.001 0.000 0.363 134 F C 1.586 177.355 175.800 -0.052 0.000 1.123 134 F CA 0.455 58.387 58.000 -0.113 0.000 1.307 134 F CB 0.447 39.348 39.000 -0.165 0.000 1.115 134 F HN 0.562 nan 8.300 nan 0.000 0.592 135 I N -0.767 119.906 120.570 0.171 0.000 4.312 135 I HA 0.622 4.791 4.170 -0.001 0.000 0.324 135 I C 0.756 176.932 176.117 0.097 0.000 1.298 135 I CA 0.198 61.562 61.300 0.106 0.000 1.231 135 I CB 0.350 38.395 38.000 0.075 0.000 1.152 135 I HN 0.538 nan 8.210 nan 0.000 0.421 136 G N 0.812 109.684 108.800 0.119 0.000 2.441 136 G HA2 0.383 4.342 3.960 -0.001 0.000 0.294 136 G HA3 0.383 4.342 3.960 -0.001 0.000 0.294 136 G C -3.235 171.735 174.900 0.117 0.000 1.393 136 G CA -0.982 44.173 45.100 0.092 0.000 0.796 136 G HN -0.244 nan 8.290 nan 0.000 0.494 137 P HA 0.084 nan 4.420 nan 0.000 0.257 137 P C 0.190 177.659 177.300 0.283 0.000 1.162 137 P CA 0.860 64.083 63.100 0.204 0.000 0.762 137 P CB -0.139 31.701 31.700 0.233 0.000 0.753 138 H N -0.152 118.990 119.070 0.120 0.000 3.179 138 H HA -0.210 4.345 4.556 -0.001 0.000 0.250 138 H C 0.145 175.696 175.328 0.372 0.000 1.142 138 H CA 0.993 57.136 56.048 0.158 0.000 1.165 138 H CB -0.859 28.863 29.762 -0.066 0.000 1.253 138 H HN 0.549 nan 8.280 nan 0.000 0.325 139 R N 0.057 120.771 120.500 0.358 0.000 2.686 139 R HA 0.754 5.093 4.340 -0.001 0.000 0.286 139 R C -0.489 175.960 176.300 0.248 0.000 0.969 139 R CA -0.715 55.582 56.100 0.329 0.000 0.898 139 R CB 2.744 33.187 30.300 0.238 0.000 1.183 139 R HN 0.114 nan 8.270 nan 0.000 0.456 140 I N 1.601 122.306 120.570 0.226 0.000 2.722 140 I HA 0.328 4.498 4.170 -0.001 0.000 0.295 140 I C -1.324 174.845 176.117 0.088 0.000 1.161 140 I CA -0.759 60.584 61.300 0.072 0.000 1.032 140 I CB 1.908 39.894 38.000 -0.024 0.000 1.244 140 I HN 0.576 nan 8.210 nan 0.000 0.421 141 K N 6.934 127.345 120.400 0.018 0.000 2.206 141 K HA 0.853 5.172 4.320 -0.001 0.000 0.264 141 K C -1.453 175.155 176.600 0.013 0.000 0.967 141 K CA -0.536 55.753 56.287 0.004 0.000 0.844 141 K CB 1.880 34.376 32.500 -0.007 0.000 1.099 141 K HN 0.563 nan 8.250 nan 0.000 0.441 142 A N 3.083 125.927 122.820 0.039 0.000 2.304 142 A HA 0.420 4.740 4.320 -0.001 0.000 0.314 142 A C -0.869 176.726 177.584 0.018 0.000 1.187 142 A CA -0.732 51.348 52.037 0.072 0.000 0.810 142 A CB 1.283 20.438 19.000 0.257 0.000 1.183 142 A HN 0.734 nan 8.150 nan 0.000 0.487 143 T N 3.755 118.295 114.554 -0.024 0.000 2.772 143 T HA 0.358 4.707 4.350 -0.001 0.000 0.288 143 T C 0.443 175.066 174.700 -0.129 0.000 0.994 143 T CA -0.673 61.380 62.100 -0.077 0.000 0.951 143 T CB 0.469 69.267 68.868 -0.116 0.000 0.933 143 T HN 0.882 nan 8.240 nan 0.000 0.447 144 N N 3.030 121.704 118.700 -0.043 0.000 2.364 144 N HA 0.094 4.834 4.740 -0.001 0.000 0.264 144 N C 1.147 176.701 175.510 0.073 0.000 1.263 144 N CA -0.637 52.433 53.050 0.032 0.000 0.959 144 N CB 0.253 38.772 38.487 0.053 0.000 1.204 144 N HN 0.529 nan 8.380 nan 0.000 0.550 145 N N -0.319 118.514 118.700 0.222 0.000 2.069 145 N HA -0.189 4.550 4.740 -0.001 0.000 0.191 145 N C 0.663 176.239 175.510 0.110 0.000 1.031 145 N CA 1.384 54.586 53.050 0.254 0.000 0.852 145 N CB -0.011 38.593 38.487 0.194 0.000 1.018 145 N HN 0.428 nan 8.380 nan 0.000 0.423 146 K N -0.306 120.135 120.400 0.068 0.000 2.555 146 K HA 0.096 4.416 4.320 -0.001 0.000 0.193 146 K C 1.256 177.866 176.600 0.016 0.000 1.032 146 K CA 0.600 56.909 56.287 0.037 0.000 1.004 146 K CB -0.709 31.810 32.500 0.031 0.000 0.804 146 K HN 0.693 nan 8.250 nan 0.000 0.496 147 G N -0.080 108.722 108.800 0.004 0.000 2.195 147 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.224 147 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.224 147 G C 0.005 174.889 174.900 -0.027 0.000 0.990 147 G CA -0.250 44.836 45.100 -0.023 0.000 0.639 147 G HN 0.302 nan 8.290 nan 0.000 0.514 148 K N 1.704 122.095 120.400 -0.014 0.000 2.298 148 K HA 0.390 4.710 4.320 -0.001 0.000 0.280 148 K C 0.488 177.073 176.600 -0.026 0.000 1.032 148 K CA 0.070 56.348 56.287 -0.016 0.000 0.958 148 K CB 0.818 33.315 32.500 -0.005 0.000 0.978 148 K HN 0.606 nan 8.250 nan 0.000 0.472 149 E N 2.248 122.426 120.200 -0.036 0.000 2.214 149 E HA 0.348 4.698 4.350 -0.001 0.000 0.274 149 E C -0.637 175.914 176.600 -0.081 0.000 0.977 149 E CA -0.731 55.639 56.400 -0.050 0.000 0.827 149 E CB 1.992 31.664 29.700 -0.047 0.000 1.130 149 E HN 0.218 nan 8.360 nan 0.000 0.394 150 K N 1.818 122.138 120.400 -0.134 0.000 2.464 150 K HA 0.465 4.785 4.320 -0.001 0.000 0.253 150 K C -1.174 175.166 176.600 -0.434 0.000 0.933 150 K CA -0.472 55.634 56.287 -0.302 0.000 0.801 150 K CB 1.676 33.948 32.500 -0.381 0.000 1.271 150 K HN 0.401 nan 8.250 nan 0.000 0.430 151 I N 3.788 124.103 120.570 -0.425 0.000 2.359 151 I HA 0.373 4.542 4.170 -0.001 0.000 0.294 151 I C -0.957 174.936 176.117 -0.373 0.000 0.987 151 I CA -0.710 60.420 61.300 -0.283 0.000 1.225 151 I CB 0.839 38.784 38.000 -0.091 0.000 1.366 151 I HN 0.516 nan 8.210 nan 0.000 0.466 152 Y N 2.921 123.307 120.300 0.143 0.000 2.545 152 Y HA 0.537 5.086 4.550 -0.001 0.000 0.348 152 Y C 0.130 176.197 175.900 0.278 0.000 1.002 152 Y CA -0.920 57.304 58.100 0.206 0.000 1.039 152 Y CB 2.204 40.792 38.460 0.212 0.000 1.271 152 Y HN 0.533 nan 8.280 nan 0.000 0.467 153 S N 1.005 116.991 115.700 0.477 0.000 2.566 153 S HA 0.985 5.454 4.470 -0.001 0.000 0.298 153 S C -0.891 173.930 174.600 0.369 0.000 1.083 153 S CA -0.626 57.854 58.200 0.467 0.000 0.978 153 S CB 2.045 65.517 63.200 0.454 0.000 1.073 153 S HN 1.037 nan 8.310 nan 0.000 0.491 154 A N 0.772 123.703 122.820 0.185 0.000 2.572 154 A HA 0.665 4.984 4.320 -0.001 0.000 0.295 154 A C 0.414 177.688 177.584 -0.516 0.000 1.072 154 A CA -0.596 51.331 52.037 -0.184 0.000 0.691 154 A CB 1.244 19.875 19.000 -0.615 0.000 1.291 154 A HN 0.966 nan 8.150 nan 0.000 0.404 155 E N 0.074 119.985 120.200 -0.482 0.000 2.106 155 E HA -0.046 4.304 4.350 -0.001 0.000 0.192 155 E C 0.392 176.940 176.600 -0.087 0.000 0.984 155 E CA 0.970 57.092 56.400 -0.464 0.000 0.806 155 E CB 0.138 29.825 29.700 -0.023 0.000 0.750 155 E HN 0.572 nan 8.360 nan 0.000 0.458 156 R N -1.366 119.105 120.500 -0.048 0.000 2.836 156 R HA 0.462 4.802 4.340 -0.001 0.000 0.269 156 R C -1.445 174.816 176.300 -0.065 0.000 1.010 156 R CA -0.732 55.474 56.100 0.177 0.000 0.930 156 R CB 1.396 31.816 30.300 0.200 0.000 1.218 156 R HN -0.117 nan 8.270 nan 0.000 0.473 157 F N 0.780 120.915 119.950 0.308 0.000 2.576 157 F HA 0.501 5.029 4.527 0.001 0.000 0.313 157 F C -0.904 175.036 175.800 0.234 0.000 1.078 157 F CA -0.952 57.205 58.000 0.261 0.000 0.921 157 F CB 1.925 41.159 39.000 0.389 0.000 1.232 157 F HN 0.157 nan 8.300 nan 0.000 0.459 158 L N 4.379 125.802 121.223 0.333 0.000 2.343 158 L HA 0.614 4.954 4.340 -0.001 0.000 0.278 158 L C -1.048 175.945 176.870 0.205 0.000 0.996 158 L CA -0.386 54.598 54.840 0.240 0.000 0.831 158 L CB 0.975 43.112 42.059 0.129 0.000 1.232 158 L HN 0.450 nan 8.230 nan 0.000 0.413 159 I N 5.534 126.221 120.570 0.196 0.000 2.322 159 I HA 0.463 4.632 4.170 -0.001 0.000 0.292 159 I C 0.559 176.732 176.117 0.093 0.000 1.060 159 I CA 0.027 61.408 61.300 0.136 0.000 1.309 159 I CB 1.126 39.208 38.000 0.137 0.000 1.415 159 I HN 0.812 nan 8.210 nan 0.000 0.492 160 A N 3.935 126.793 122.820 0.062 0.000 3.253 160 A HA 0.309 4.628 4.320 -0.001 0.000 0.290 160 A C 0.674 178.282 177.584 0.040 0.000 0.950 160 A CA -0.278 51.790 52.037 0.051 0.000 0.986 160 A CB 0.317 19.340 19.000 0.039 0.000 1.104 160 A HN 0.655 nan 8.150 nan 0.000 0.481 161 T N -0.171 114.409 114.554 0.044 0.000 3.060 161 T HA 0.431 4.780 4.350 -0.001 0.000 0.249 161 T C 1.209 175.950 174.700 0.068 0.000 1.079 161 T CA 1.491 63.614 62.100 0.038 0.000 1.013 161 T CB -0.274 68.605 68.868 0.018 0.000 0.975 161 T HN 1.871 nan 8.240 nan 0.000 0.518 162 G N 1.403 110.247 108.800 0.074 0.000 2.692 162 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.248 162 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.248 162 G C -0.699 174.262 174.900 0.101 0.000 1.340 162 G CA -0.273 44.882 45.100 0.091 0.000 0.896 162 G HN 0.492 nan 8.290 nan 0.000 0.570 163 E N -0.334 119.936 120.200 0.116 0.000 2.393 163 E HA 0.767 5.116 4.350 -0.001 0.000 0.265 163 E C -0.302 176.386 176.600 0.147 0.000 0.941 163 E CA -1.143 55.328 56.400 0.119 0.000 0.801 163 E CB 1.817 31.579 29.700 0.104 0.000 1.313 163 E HN 0.466 nan 8.360 nan 0.000 0.435 164 R N 0.415 121.003 120.500 0.147 0.000 2.808 164 R HA 0.459 4.799 4.340 -0.001 0.000 0.272 164 R C -2.734 173.656 176.300 0.150 0.000 0.995 164 R CA -2.463 53.742 56.100 0.175 0.000 0.917 164 R CB 1.084 31.503 30.300 0.198 0.000 1.217 164 R HN 0.314 nan 8.270 nan 0.000 0.471 165 P HA 0.093 nan 4.420 nan 0.000 0.266 165 P C -0.387 176.981 177.300 0.115 0.000 1.195 165 P CA -0.009 63.142 63.100 0.085 0.000 0.768 165 P CB 0.603 32.330 31.700 0.044 0.000 0.838 166 R N 2.908 123.438 120.500 0.050 0.000 2.404 166 R HA 0.349 4.688 4.340 -0.001 0.000 0.291 166 R C -0.786 175.522 176.300 0.014 0.000 1.025 166 R CA -0.417 55.742 56.100 0.098 0.000 0.991 166 R CB 0.336 30.674 30.300 0.064 0.000 1.053 166 R HN 0.376 nan 8.270 nan 0.000 0.479 167 Y N 2.418 122.735 120.300 0.029 0.000 2.453 167 Y HA 0.304 4.854 4.550 -0.001 0.000 0.326 167 Y C 0.320 176.233 175.900 0.022 0.000 1.186 167 Y CA -0.599 57.515 58.100 0.023 0.000 1.200 167 Y CB 1.320 39.792 38.460 0.020 0.000 1.247 167 Y HN 0.398 nan 8.280 nan 0.000 0.482 168 L N 1.269 122.580 121.223 0.147 0.000 2.397 168 L HA 0.251 4.591 4.340 -0.001 0.000 0.271 168 L C 1.281 178.226 176.870 0.124 0.000 1.148 168 L CA -0.132 54.771 54.840 0.105 0.000 0.825 168 L CB 0.565 42.669 42.059 0.075 0.000 1.117 168 L HN 0.960 nan 8.230 nan 0.000 0.456 169 G N 4.027 112.878 108.800 0.086 0.000 3.375 169 G HA2 0.214 4.174 3.960 -0.001 0.000 0.247 169 G HA3 0.214 4.174 3.960 -0.001 0.000 0.247 169 G C 0.251 175.186 174.900 0.059 0.000 1.343 169 G CA -0.197 44.944 45.100 0.068 0.000 1.368 169 G HN 0.545 nan 8.290 nan 0.000 0.549 170 I N -3.495 117.119 120.570 0.073 0.000 2.822 170 I HA 0.658 4.827 4.170 -0.001 0.000 0.312 170 I C -2.653 173.502 176.117 0.064 0.000 1.011 170 I CA -3.421 57.919 61.300 0.066 0.000 1.105 170 I CB 2.037 40.081 38.000 0.074 0.000 1.291 170 I HN -0.256 nan 8.210 nan 0.000 0.474 171 P HA 0.251 nan 4.420 nan 0.000 0.276 171 P C 0.602 177.959 177.300 0.094 0.000 1.235 171 P CA 0.542 63.677 63.100 0.060 0.000 0.772 171 P CB 1.094 32.831 31.700 0.062 0.000 0.871 172 G N 3.221 112.059 108.800 0.064 0.000 2.213 172 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.236 172 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.236 172 G C 0.925 175.872 174.900 0.078 0.000 0.991 172 G CA 0.523 45.692 45.100 0.115 0.000 0.629 172 G HN 0.565 nan 8.290 nan 0.000 0.517 173 D N 1.268 121.726 120.400 0.097 0.000 2.087 173 D HA -0.111 4.529 4.640 -0.001 0.000 0.192 173 D C 1.991 178.415 176.300 0.206 0.000 0.993 173 D CA 1.703 55.816 54.000 0.187 0.000 0.828 173 D CB -0.617 40.336 40.800 0.256 0.000 0.968 173 D HN 0.478 nan 8.370 nan 0.000 0.448 174 K N 0.310 120.715 120.400 0.009 0.000 2.217 174 K HA -0.067 4.252 4.320 -0.001 0.000 0.202 174 K C 2.090 178.615 176.600 -0.124 0.000 1.051 174 K CA 1.198 57.389 56.287 -0.161 0.000 0.952 174 K CB 0.041 32.335 32.500 -0.343 0.000 0.736 174 K HN 0.464 nan 8.250 nan 0.000 0.453 175 E N -0.253 119.791 120.200 -0.261 0.000 2.216 175 E HA -0.100 4.250 4.350 -0.001 0.000 0.192 175 E C 1.093 177.444 176.600 -0.416 0.000 0.973 175 E CA 1.032 57.156 56.400 -0.461 0.000 0.851 175 E CB -0.105 29.113 29.700 -0.803 0.000 0.804 175 E HN 0.387 nan 8.360 nan 0.000 0.477 176 Y N 0.465 120.813 120.300 0.080 0.000 2.467 176 Y HA 0.285 4.834 4.550 -0.000 0.000 0.259 176 Y C 1.202 177.155 175.900 0.089 0.000 1.084 176 Y CA -1.303 56.843 58.100 0.076 0.000 1.275 176 Y CB 0.123 38.618 38.460 0.058 0.000 1.208 176 Y HN -0.036 nan 8.280 nan 0.000 0.511 177 C N 2.161 121.589 119.300 0.214 0.000 2.335 177 C HA 0.684 5.143 4.460 -0.001 0.000 0.363 177 C C 0.627 175.701 174.990 0.139 0.000 1.198 177 C CA -1.180 57.929 59.018 0.151 0.000 2.279 177 C CB 0.420 28.228 27.740 0.113 0.000 2.334 177 C HN 0.368 nan 8.230 nan 0.000 0.559 178 I N 0.426 121.031 120.570 0.058 0.000 2.863 178 I HA 0.844 5.013 4.170 -0.001 0.000 0.311 178 I C 0.004 176.086 176.117 -0.058 0.000 1.026 178 I CA -0.069 61.252 61.300 0.035 0.000 1.077 178 I CB 1.989 39.993 38.000 0.007 0.000 1.262 178 I HN 0.707 nan 8.210 nan 0.000 0.461 179 S N 1.137 116.807 115.700 -0.050 0.000 2.806 179 S HA 0.357 4.827 4.470 -0.001 0.000 0.315 179 S C 1.011 175.547 174.600 -0.107 0.000 1.127 179 S CA 0.019 58.151 58.200 -0.113 0.000 0.918 179 S CB 1.126 64.254 63.200 -0.120 0.000 1.240 179 S HN 0.965 nan 8.310 nan 0.000 0.552 180 S N 0.424 116.056 115.700 -0.113 0.000 2.402 180 S HA -0.220 4.250 4.470 -0.001 0.000 0.233 180 S C 1.109 175.648 174.600 -0.101 0.000 1.030 180 S CA 1.886 59.992 58.200 -0.156 0.000 1.003 180 S CB -1.186 62.026 63.200 0.020 0.000 0.813 180 S HN 0.718 nan 8.310 nan 0.000 0.477 181 D N 2.024 122.436 120.400 0.020 0.000 2.133 181 D HA -0.085 4.554 4.640 -0.001 0.000 0.195 181 D C 1.626 177.985 176.300 0.098 0.000 0.997 181 D CA 1.564 55.604 54.000 0.067 0.000 0.840 181 D CB -0.404 40.575 40.800 0.298 0.000 0.947 181 D HN 0.572 nan 8.370 nan 0.000 0.452 182 D N -0.420 120.028 120.400 0.080 0.000 2.271 182 D HA -0.043 4.597 4.640 -0.001 0.000 0.206 182 D C 2.186 178.489 176.300 0.004 0.000 0.967 182 D CA -0.053 54.001 54.000 0.090 0.000 0.867 182 D CB 0.012 40.866 40.800 0.089 0.000 0.960 182 D HN 0.111 nan 8.370 nan 0.000 0.509 183 L N 0.529 121.663 121.223 -0.150 0.000 2.042 183 L HA -0.156 4.183 4.340 -0.001 0.000 0.210 183 L C 1.645 178.467 176.870 -0.081 0.000 1.076 183 L CA 1.553 56.270 54.840 -0.206 0.000 0.749 183 L CB -0.576 41.205 42.059 -0.462 0.000 0.893 183 L HN -0.143 nan 8.230 nan 0.000 0.432 184 F N -1.113 118.907 119.950 0.117 0.000 2.748 184 F HA 0.071 4.597 4.527 -0.001 0.000 0.299 184 F C 2.118 177.933 175.800 0.025 0.000 1.154 184 F CA 0.652 58.682 58.000 0.049 0.000 1.446 184 F CB -0.767 38.210 39.000 -0.038 0.000 1.112 184 F HN 0.341 nan 8.300 nan 0.000 0.584 185 S N -1.087 114.733 115.700 0.200 0.000 2.846 185 S HA 0.252 4.721 4.470 -0.001 0.000 0.249 185 S C -0.001 174.692 174.600 0.156 0.000 1.028 185 S CA -0.439 57.856 58.200 0.160 0.000 1.043 185 S CB -0.540 62.759 63.200 0.166 0.000 0.990 185 S HN 0.026 nan 8.310 nan 0.000 0.564 186 L N 4.194 125.530 121.223 0.188 0.000 2.534 186 L HA 0.317 4.656 4.340 -0.001 0.000 0.271 186 L C -1.609 175.339 176.870 0.130 0.000 1.178 186 L CA -1.134 53.743 54.840 0.062 0.000 0.907 186 L CB 0.453 42.487 42.059 -0.041 0.000 1.164 186 L HN 0.079 nan 8.230 nan 0.000 0.482 187 P HA -0.006 nan 4.420 nan 0.000 0.249 187 P C -1.307 176.147 177.300 0.257 0.000 1.241 187 P CA 0.515 63.719 63.100 0.174 0.000 0.781 187 P CB -0.268 31.557 31.700 0.208 0.000 1.088 188 Y N -3.552 116.857 120.300 0.182 0.000 2.638 188 Y HA 0.499 5.049 4.550 -0.001 0.000 0.335 188 Y C -0.581 175.133 175.900 -0.311 0.000 1.155 188 Y CA -1.913 56.216 58.100 0.049 0.000 1.046 188 Y CB 0.036 38.493 38.460 -0.004 0.000 1.303 188 Y HN -0.261 nan 8.280 nan 0.000 0.460 189 C N 3.777 122.937 119.300 -0.233 0.000 2.632 189 C HA 0.299 4.759 4.460 -0.001 0.000 0.415 189 C C -1.108 173.629 174.990 -0.422 0.000 1.332 189 C CA -1.280 57.309 59.018 -0.716 0.000 1.874 189 C CB 0.131 27.749 27.740 -0.204 0.000 2.596 189 C HN 0.778 nan 8.230 nan 0.000 0.590 190 P HA 0.149 nan 4.420 nan 0.000 0.223 190 P C 1.027 178.247 177.300 -0.133 0.000 1.151 190 P CA 1.892 64.808 63.100 -0.306 0.000 0.787 190 P CB -0.118 31.337 31.700 -0.408 0.000 0.788 191 G N -0.061 108.650 108.800 -0.148 0.000 2.547 191 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.271 191 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.271 191 G C -0.280 174.595 174.900 -0.042 0.000 1.209 191 G CA -0.239 44.824 45.100 -0.062 0.000 0.959 191 G HN 0.436 nan 8.290 nan 0.000 0.563 192 K N 1.271 121.669 120.400 -0.003 0.000 2.419 192 K HA 0.389 4.709 4.320 -0.001 0.000 0.282 192 K C -0.332 176.315 176.600 0.080 0.000 1.056 192 K CA 0.917 57.230 56.287 0.043 0.000 1.035 192 K CB -0.286 32.248 32.500 0.057 0.000 0.921 192 K HN 0.517 nan 8.250 nan 0.000 0.472 193 T N 4.720 119.287 114.554 0.021 0.000 2.841 193 T HA 0.301 4.650 4.350 -0.001 0.000 0.283 193 T C -1.121 173.434 174.700 -0.242 0.000 1.000 193 T CA -0.749 61.300 62.100 -0.085 0.000 0.977 193 T CB 1.210 69.994 68.868 -0.139 0.000 0.979 193 T HN 0.388 nan 8.240 nan 0.000 0.446 194 L N 4.351 125.286 121.223 -0.480 0.000 2.272 194 L HA 0.617 4.956 4.340 -0.001 0.000 0.289 194 L C -0.869 175.776 176.870 -0.375 0.000 1.032 194 L CA -0.491 53.942 54.840 -0.678 0.000 0.810 194 L CB 1.005 42.374 42.059 -1.151 0.000 1.205 194 L HN 0.447 nan 8.230 nan 0.000 0.422 195 V N 6.272 126.006 119.914 -0.301 0.000 2.364 195 V HA 0.364 4.483 4.120 -0.001 0.000 0.272 195 V C -0.084 175.904 176.094 -0.177 0.000 1.036 195 V CA -0.684 61.484 62.300 -0.220 0.000 0.880 195 V CB 1.450 33.150 31.823 -0.206 0.000 0.991 195 V HN 0.501 nan 8.190 nan 0.000 0.460 196 V N 5.100 124.928 119.914 -0.143 0.000 2.383 196 V HA 0.908 5.027 4.120 -0.001 0.000 0.275 196 V C 0.686 176.742 176.094 -0.063 0.000 1.036 196 V CA 0.675 62.921 62.300 -0.090 0.000 0.889 196 V CB 0.564 32.340 31.823 -0.077 0.000 0.985 196 V HN 1.258 nan 8.190 nan 0.000 0.459 197 G N 4.020 112.806 108.800 -0.023 0.000 2.357 197 G HA2 0.448 4.408 3.960 -0.001 0.000 0.643 197 G HA3 0.448 4.408 3.960 -0.001 0.000 0.643 197 G C -0.351 174.567 174.900 0.029 0.000 1.358 197 G CA -0.068 45.031 45.100 -0.002 0.000 0.986 197 G HN 1.346 nan 8.290 nan 0.000 0.620 198 A N -0.294 122.555 122.820 0.049 0.000 2.605 198 A HA 0.742 5.061 4.320 -0.001 0.000 0.292 198 A C 1.099 178.731 177.584 0.079 0.000 1.055 198 A CA 1.235 53.321 52.037 0.081 0.000 0.969 198 A CB -0.444 18.615 19.000 0.098 0.000 1.236 198 A HN 2.324 nan 8.150 nan 0.000 0.534 199 S N -0.619 115.106 115.700 0.043 0.000 2.608 199 S HA 0.287 4.756 4.470 -0.001 0.000 0.261 199 S C 1.145 175.765 174.600 0.034 0.000 1.314 199 S CA 0.257 58.479 58.200 0.038 0.000 0.992 199 S CB -0.050 63.105 63.200 -0.075 0.000 0.935 199 S HN 0.892 nan 8.310 nan 0.000 0.564 200 Y N -0.336 120.026 120.300 0.102 0.000 2.207 200 Y HA -0.033 4.517 4.550 -0.001 0.000 0.287 200 Y C 1.917 177.869 175.900 0.087 0.000 1.156 200 Y CA 1.144 59.271 58.100 0.046 0.000 1.182 200 Y CB -1.349 37.134 38.460 0.038 0.000 0.979 200 Y HN 0.289 nan 8.280 nan 0.000 0.521 201 V N 1.411 121.109 119.914 -0.360 0.000 2.332 201 V HA -0.332 3.787 4.120 -0.001 0.000 0.248 201 V C 2.900 178.976 176.094 -0.029 0.000 1.055 201 V CA 1.844 64.066 62.300 -0.130 0.000 1.038 201 V CB -1.463 30.231 31.823 -0.216 0.000 0.651 201 V HN 0.674 nan 8.190 nan 0.000 0.450 202 A N -0.125 122.657 122.820 -0.062 0.000 1.858 202 A HA -0.158 4.161 4.320 -0.001 0.000 0.216 202 A C 2.197 179.760 177.584 -0.035 0.000 1.190 202 A CA 1.928 53.932 52.037 -0.055 0.000 0.617 202 A CB -0.527 18.452 19.000 -0.036 0.000 0.827 202 A HN 0.503 nan 8.150 nan 0.000 0.443 203 L N -1.031 120.208 121.223 0.027 0.000 2.109 203 L HA -0.147 4.193 4.340 -0.001 0.000 0.207 203 L C 2.574 179.477 176.870 0.054 0.000 1.086 203 L CA 1.377 56.252 54.840 0.057 0.000 0.760 203 L CB -0.735 41.388 42.059 0.106 0.000 0.910 203 L HN 0.468 nan 8.230 nan 0.000 0.437 204 E N -0.260 120.004 120.200 0.107 0.000 2.085 204 E HA -0.233 4.117 4.350 -0.001 0.000 0.194 204 E C 2.338 178.978 176.600 0.067 0.000 0.994 204 E CA 1.731 58.242 56.400 0.185 0.000 0.801 204 E CB -0.161 29.729 29.700 0.316 0.000 0.743 204 E HN 0.533 nan 8.360 nan 0.000 0.453 205 C N 0.528 119.750 119.300 -0.130 0.000 2.476 205 C HA -0.033 4.427 4.460 -0.001 0.000 0.278 205 C C 2.915 177.483 174.990 -0.704 0.000 1.274 205 C CA 0.635 59.227 59.018 -0.710 0.000 1.713 205 C CB -0.958 26.559 27.740 -0.372 0.000 2.039 205 C HN 0.526 nan 8.230 nan 0.000 0.484 206 A N 1.070 123.689 122.820 -0.335 0.000 1.917 206 A HA -0.058 4.262 4.320 -0.001 0.000 0.219 206 A C 2.376 179.840 177.584 -0.200 0.000 1.182 206 A CA 2.364 54.246 52.037 -0.259 0.000 0.633 206 A CB -1.349 17.532 19.000 -0.198 0.000 0.819 206 A HN 0.573 nan 8.150 nan 0.000 0.448 207 G N -0.276 108.462 108.800 -0.103 0.000 2.421 207 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.216 207 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.216 207 G C 1.391 176.359 174.900 0.113 0.000 1.171 207 G CA 1.369 46.498 45.100 0.050 0.000 0.775 207 G HN 0.827 nan 8.290 nan 0.000 0.543 208 F N 0.594 120.636 119.950 0.153 0.000 2.293 208 F HA 0.305 4.832 4.527 -0.001 0.000 0.297 208 F C 2.177 178.037 175.800 0.100 0.000 1.089 208 F CA 0.198 58.285 58.000 0.145 0.000 1.377 208 F CB -0.658 38.456 39.000 0.191 0.000 1.051 208 F HN 0.037 nan 8.300 nan 0.000 0.511 209 L N 0.961 122.127 121.223 -0.096 0.000 2.079 209 L HA -0.149 4.190 4.340 -0.001 0.000 0.210 209 L C 2.926 179.814 176.870 0.029 0.000 1.081 209 L CA 1.277 56.128 54.840 0.018 0.000 0.752 209 L CB -1.144 40.818 42.059 -0.161 0.000 0.896 209 L HN 0.371 nan 8.230 nan 0.000 0.433 210 A N 0.204 123.020 122.820 -0.006 0.000 1.929 210 A HA -0.058 4.261 4.320 -0.001 0.000 0.216 210 A C 2.402 180.014 177.584 0.047 0.000 1.176 210 A CA 1.446 53.490 52.037 0.012 0.000 0.628 210 A CB -1.110 17.891 19.000 0.003 0.000 0.816 210 A HN 0.424 nan 8.150 nan 0.000 0.444 211 G N 0.691 109.540 108.800 0.082 0.000 2.448 211 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.219 211 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.219 211 G C 1.346 176.258 174.900 0.019 0.000 1.127 211 G CA 1.080 46.222 45.100 0.069 0.000 0.766 211 G HN 0.860 nan 8.290 nan 0.000 0.552 212 I N -3.001 117.576 120.570 0.011 0.000 3.684 212 I HA 0.472 4.641 4.170 -0.001 0.000 0.304 212 I C 1.417 177.538 176.117 0.007 0.000 1.278 212 I CA 0.538 61.772 61.300 -0.110 0.000 1.272 212 I CB 0.126 37.947 38.000 -0.299 0.000 1.029 212 I HN 0.172 nan 8.210 nan 0.000 0.458 213 G N 1.513 110.334 108.800 0.036 0.000 2.179 213 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.220 213 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.220 213 G C 0.020 174.944 174.900 0.042 0.000 0.990 213 G CA -0.127 45.001 45.100 0.047 0.000 0.646 213 G HN 0.341 nan 8.290 nan 0.000 0.517 214 L N 0.896 122.141 121.223 0.036 0.000 2.439 214 L HA 0.485 4.824 4.340 -0.001 0.000 0.261 214 L C 0.334 177.201 176.870 -0.005 0.000 1.153 214 L CA -0.743 54.105 54.840 0.013 0.000 0.808 214 L CB 0.663 42.719 42.059 -0.005 0.000 1.126 214 L HN 0.107 nan 8.230 nan 0.000 0.460 215 D N 1.752 122.147 120.400 -0.009 0.000 2.365 215 D HA 0.295 4.934 4.640 -0.001 0.000 0.237 215 D C -0.979 175.309 176.300 -0.020 0.000 1.190 215 D CA -0.138 53.856 54.000 -0.010 0.000 0.867 215 D CB 0.989 41.790 40.800 0.002 0.000 1.050 215 D HN 0.066 nan 8.370 nan 0.000 0.491 216 V N 3.639 123.521 119.914 -0.053 0.000 2.495 216 V HA 0.477 4.597 4.120 -0.001 0.000 0.298 216 V C 0.473 176.480 176.094 -0.145 0.000 1.031 216 V CA -0.671 61.563 62.300 -0.109 0.000 0.871 216 V CB 1.998 33.737 31.823 -0.141 0.000 0.988 216 V HN 0.518 nan 8.190 nan 0.000 0.432 217 T N 3.698 118.145 114.554 -0.179 0.000 2.841 217 T HA 0.624 4.973 4.350 -0.001 0.000 0.283 217 T C -0.630 173.883 174.700 -0.311 0.000 1.000 217 T CA -0.403 61.565 62.100 -0.220 0.000 0.977 217 T CB 1.862 70.669 68.868 -0.101 0.000 0.979 217 T HN 0.365 nan 8.240 nan 0.000 0.446 218 V N 3.985 123.670 119.914 -0.383 0.000 2.409 218 V HA 0.489 4.608 4.120 -0.001 0.000 0.291 218 V C -0.223 175.812 176.094 -0.097 0.000 1.020 218 V CA -0.774 61.353 62.300 -0.289 0.000 0.848 218 V CB 1.572 33.157 31.823 -0.397 0.000 0.990 218 V HN 0.866 nan 8.190 nan 0.000 0.430 219 M N 6.031 125.599 119.600 -0.054 0.000 2.129 219 M HA 0.618 5.097 4.480 -0.001 0.000 0.348 219 M C -1.195 175.156 176.300 0.086 0.000 1.116 219 M CA -0.294 55.026 55.300 0.033 0.000 1.022 219 M CB 1.164 33.762 32.600 -0.003 0.000 1.599 219 M HN 0.505 nan 8.290 nan 0.000 0.449 220 V N 5.144 125.147 119.914 0.148 0.000 2.667 220 V HA 0.466 4.586 4.120 -0.001 0.000 0.308 220 V C 0.625 176.788 176.094 0.114 0.000 1.048 220 V CA -0.778 61.601 62.300 0.130 0.000 0.928 220 V CB 1.630 33.542 31.823 0.149 0.000 1.004 220 V HN 0.975 nan 8.190 nan 0.000 0.444 221 R N 2.024 122.570 120.500 0.078 0.000 2.057 221 R HA -0.001 4.339 4.340 -0.001 0.000 0.224 221 R C 1.411 177.731 176.300 0.034 0.000 1.136 221 R CA 1.795 57.926 56.100 0.052 0.000 0.968 221 R CB 0.143 30.467 30.300 0.039 0.000 0.863 221 R HN 0.894 nan 8.270 nan 0.000 0.433 222 S N 0.486 116.208 115.700 0.036 0.000 3.830 222 S HA 0.260 4.729 4.470 -0.001 0.000 0.172 222 S C 0.741 175.356 174.600 0.025 0.000 0.966 222 S CA -0.312 57.901 58.200 0.023 0.000 1.124 222 S CB -0.447 62.763 63.200 0.016 0.000 1.697 222 S HN 0.358 nan 8.310 nan 0.000 0.872 223 I N 1.077 121.665 120.570 0.029 0.000 2.664 223 I HA 0.574 4.743 4.170 -0.001 0.000 0.308 223 I C -0.882 175.259 176.117 0.041 0.000 0.984 223 I CA -1.182 60.133 61.300 0.025 0.000 1.213 223 I CB 0.891 38.908 38.000 0.029 0.000 1.379 223 I HN 0.382 nan 8.210 nan 0.000 0.501 224 L N 5.047 126.284 121.223 0.024 0.000 2.371 224 L HA 0.293 4.632 4.340 -0.001 0.000 0.272 224 L C 0.265 177.187 176.870 0.086 0.000 1.124 224 L CA -0.797 54.068 54.840 0.041 0.000 0.816 224 L CB 0.791 42.842 42.059 -0.015 0.000 1.129 224 L HN 0.676 nan 8.230 nan 0.000 0.448 225 L N 2.245 123.545 121.223 0.128 0.000 3.795 225 L HA -0.228 4.111 4.340 -0.001 0.000 0.489 225 L C 0.768 177.854 176.870 0.359 0.000 1.259 225 L CA 0.144 55.129 54.840 0.242 0.000 0.765 225 L CB -1.292 40.823 42.059 0.094 0.000 1.519 225 L HN 0.734 nan 8.230 nan 0.000 0.842 226 R N 0.953 121.605 120.500 0.253 0.000 2.583 226 R HA 0.230 4.569 4.340 -0.001 0.000 0.274 226 R C 1.463 177.900 176.300 0.228 0.000 0.998 226 R CA 1.459 57.677 56.100 0.197 0.000 1.081 226 R CB 0.332 30.709 30.300 0.128 0.000 0.940 226 R HN 0.570 nan 8.270 nan 0.000 0.413 227 G N 3.128 112.006 108.800 0.131 0.000 2.279 227 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.223 227 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.223 227 G C -0.111 174.747 174.900 -0.070 0.000 1.015 227 G CA -0.093 45.000 45.100 -0.012 0.000 0.621 227 G HN 0.508 nan 8.290 nan 0.000 0.506 228 F N 1.993 122.025 119.950 0.137 0.000 2.378 228 F HA 0.491 5.018 4.527 -0.001 0.000 0.325 228 F C 0.836 176.721 175.800 0.142 0.000 1.097 228 F CA -0.525 57.590 58.000 0.192 0.000 1.079 228 F CB 0.697 39.862 39.000 0.275 0.000 1.240 228 F HN 0.004 nan 8.300 nan 0.000 0.519 229 D N 2.081 122.702 120.400 0.369 0.000 2.570 229 D HA -0.106 4.534 4.640 -0.001 0.000 0.243 229 D C 0.686 177.023 176.300 0.061 0.000 1.171 229 D CA 0.250 54.332 54.000 0.136 0.000 0.879 229 D CB 0.894 41.671 40.800 -0.037 0.000 1.143 229 D HN 0.502 nan 8.370 nan 0.000 0.511 230 Q N 2.987 122.803 119.800 0.026 0.000 2.230 230 Q HA -0.124 4.215 4.340 -0.001 0.000 0.202 230 Q C 1.265 177.225 176.000 -0.067 0.000 0.963 230 Q CA 0.757 56.559 55.803 -0.003 0.000 0.866 230 Q CB -0.024 28.717 28.738 0.006 0.000 0.931 230 Q HN 0.636 nan 8.270 nan 0.000 0.452 231 D N 0.107 120.452 120.400 -0.092 0.000 2.117 231 D HA -0.136 4.503 4.640 -0.001 0.000 0.197 231 D C 1.698 177.878 176.300 -0.200 0.000 0.987 231 D CA 1.050 54.969 54.000 -0.135 0.000 0.829 231 D CB 0.222 40.946 40.800 -0.126 0.000 0.961 231 D HN 0.017 nan 8.370 nan 0.000 0.460 232 M N 0.456 119.913 119.600 -0.237 0.000 2.132 232 M HA 0.043 4.523 4.480 -0.001 0.000 0.263 232 M C 2.429 178.513 176.300 -0.359 0.000 1.065 232 M CA 1.169 56.237 55.300 -0.386 0.000 1.122 232 M CB -1.453 30.715 32.600 -0.721 0.000 1.365 232 M HN 0.118 nan 8.290 nan 0.000 0.411 233 A N 1.338 124.015 122.820 -0.240 0.000 1.873 233 A HA -0.224 4.096 4.320 -0.001 0.000 0.218 233 A C 2.038 179.538 177.584 -0.141 0.000 1.193 233 A CA 2.161 54.108 52.037 -0.151 0.000 0.629 233 A CB -0.943 18.033 19.000 -0.039 0.000 0.826 233 A HN 0.498 nan 8.150 nan 0.000 0.447 234 N N -0.146 118.473 118.700 -0.136 0.000 2.166 234 N HA -0.113 4.626 4.740 -0.001 0.000 0.186 234 N C 1.598 177.029 175.510 -0.131 0.000 1.019 234 N CA 1.437 54.406 53.050 -0.135 0.000 0.856 234 N CB -0.323 38.091 38.487 -0.121 0.000 0.993 234 N HN 0.584 nan 8.380 nan 0.000 0.426 235 K N 0.506 120.817 120.400 -0.148 0.000 2.097 235 K HA 0.038 4.357 4.320 -0.001 0.000 0.205 235 K C 2.032 178.606 176.600 -0.045 0.000 1.050 235 K CA 0.645 56.865 56.287 -0.112 0.000 0.938 235 K CB -0.084 32.312 32.500 -0.173 0.000 0.718 235 K HN 0.162 nan 8.250 nan 0.000 0.442 236 I N 0.529 121.050 120.570 -0.082 0.000 2.179 236 I HA -0.215 3.954 4.170 -0.001 0.000 0.242 236 I C 2.483 178.641 176.117 0.068 0.000 1.088 236 I CA 1.453 62.746 61.300 -0.012 0.000 1.357 236 I CB -0.592 37.374 38.000 -0.056 0.000 1.051 236 I HN 0.273 nan 8.210 nan 0.000 0.409 237 G N 0.144 108.927 108.800 -0.027 0.000 2.418 237 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.217 237 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.217 237 G C 1.518 176.377 174.900 -0.069 0.000 1.158 237 G CA 0.552 45.579 45.100 -0.122 0.000 0.771 237 G HN 0.395 nan 8.290 nan 0.000 0.545 238 E N -0.539 119.636 120.200 -0.042 0.000 2.085 238 E HA -0.177 4.172 4.350 -0.001 0.000 0.194 238 E C 2.092 178.759 176.600 0.111 0.000 0.994 238 E CA 1.194 57.596 56.400 0.004 0.000 0.801 238 E CB -0.202 29.494 29.700 -0.007 0.000 0.743 238 E HN 0.712 nan 8.360 nan 0.000 0.453 239 H N 0.098 119.220 119.070 0.087 0.000 2.326 239 H HA -0.035 4.521 4.556 -0.001 0.000 0.301 239 H C 2.038 177.527 175.328 0.270 0.000 1.081 239 H CA 1.703 57.864 56.048 0.188 0.000 1.334 239 H CB 0.091 29.949 29.762 0.159 0.000 1.385 239 H HN 0.039 nan 8.280 nan 0.000 0.504 240 M N -0.036 119.782 119.600 0.364 0.000 2.117 240 M HA -0.161 4.319 4.480 -0.001 0.000 0.262 240 M C 2.395 178.867 176.300 0.285 0.000 1.065 240 M CA 2.019 57.522 55.300 0.338 0.000 1.114 240 M CB -0.123 32.732 32.600 0.426 0.000 1.361 240 M HN 0.435 nan 8.290 nan 0.000 0.408 241 E N 0.566 120.971 120.200 0.341 0.000 2.106 241 E HA -0.198 4.151 4.350 -0.001 0.000 0.192 241 E C 1.691 178.336 176.600 0.074 0.000 0.984 241 E CA 1.113 57.669 56.400 0.260 0.000 0.806 241 E CB 0.106 29.950 29.700 0.241 0.000 0.750 241 E HN 0.494 nan 8.360 nan 0.000 0.458 242 E N -0.819 119.380 120.200 -0.001 0.000 2.268 242 E HA -0.135 4.215 4.350 -0.001 0.000 0.195 242 E C 0.308 176.691 176.600 -0.362 0.000 0.995 242 E CA 0.650 56.942 56.400 -0.180 0.000 0.836 242 E CB 0.070 29.623 29.700 -0.244 0.000 0.763 242 E HN 0.390 nan 8.360 nan 0.000 0.491 243 H N -1.497 117.497 119.070 -0.126 0.000 2.507 243 H HA 0.264 4.819 4.556 -0.001 0.000 0.281 243 H C 0.702 175.999 175.328 -0.052 0.000 1.160 243 H CA 0.313 56.288 56.048 -0.121 0.000 0.981 243 H CB 0.819 30.461 29.762 -0.200 0.000 1.665 243 H HN 0.256 nan 8.280 nan 0.000 0.554 244 G N 0.301 109.108 108.800 0.012 0.000 2.308 244 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.221 244 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.221 244 G C 0.364 175.259 174.900 -0.009 0.000 1.032 244 G CA -0.175 44.928 45.100 0.005 0.000 0.623 244 G HN 0.341 nan 8.290 nan 0.000 0.506 245 I N 2.388 122.954 120.570 -0.007 0.000 2.556 245 I HA 0.230 4.400 4.170 -0.001 0.000 0.284 245 I C 0.714 176.744 176.117 -0.145 0.000 1.114 245 I CA 0.200 61.432 61.300 -0.113 0.000 1.418 245 I CB 0.777 38.679 38.000 -0.163 0.000 1.394 245 I HN 0.047 nan 8.210 nan 0.000 0.552 246 K N 6.105 126.382 120.400 -0.206 0.000 2.143 246 K HA 0.519 4.838 4.320 -0.001 0.000 0.272 246 K C -1.146 175.280 176.600 -0.290 0.000 1.001 246 K CA -0.396 55.816 56.287 -0.126 0.000 0.915 246 K CB 1.207 33.671 32.500 -0.061 0.000 1.047 246 K HN 0.270 nan 8.250 nan 0.000 0.458 247 F N 2.311 122.263 119.950 0.002 0.000 2.493 247 F HA 0.417 4.943 4.527 -0.001 0.000 0.329 247 F C -0.033 175.774 175.800 0.012 0.000 1.126 247 F CA -0.735 57.269 58.000 0.006 0.000 0.937 247 F CB 1.197 40.205 39.000 0.013 0.000 1.146 247 F HN 0.231 nan 8.300 nan 0.000 0.442 248 I N 5.311 125.992 120.570 0.185 0.000 2.354 248 I HA 0.390 4.559 4.170 -0.001 0.000 0.286 248 I C -0.529 175.729 176.117 0.235 0.000 1.007 248 I CA -0.725 60.656 61.300 0.136 0.000 1.167 248 I CB 0.594 38.594 38.000 -0.001 0.000 1.320 248 I HN 0.371 nan 8.210 nan 0.000 0.458 249 R N 5.189 125.848 120.500 0.264 0.000 2.407 249 R HA 0.431 4.770 4.340 -0.001 0.000 0.303 249 R C -0.279 176.185 176.300 0.272 0.000 0.981 249 R CA -0.783 55.453 56.100 0.228 0.000 0.905 249 R CB 1.103 31.482 30.300 0.132 0.000 1.099 249 R HN 0.560 nan 8.270 nan 0.000 0.459 250 Q N 0.487 120.377 119.800 0.150 0.000 2.464 250 Q HA -0.197 4.143 4.340 -0.001 0.000 0.304 250 Q C -1.384 174.506 176.000 -0.184 0.000 1.401 250 Q CA 0.862 56.659 55.803 -0.009 0.000 0.806 250 Q CB -1.398 27.292 28.738 -0.081 0.000 1.134 250 Q HN 0.465 nan 8.270 nan 0.000 0.411 251 F N -1.297 118.672 119.950 0.032 0.000 2.601 251 F HA 0.761 5.287 4.527 -0.001 0.000 0.309 251 F C -0.084 175.731 175.800 0.026 0.000 1.089 251 F CA -1.020 56.998 58.000 0.030 0.000 0.940 251 F CB 1.892 40.913 39.000 0.035 0.000 1.273 251 F HN -0.170 nan 8.300 nan 0.000 0.450 252 V N 2.421 122.460 119.914 0.208 0.000 2.760 252 V HA 0.483 4.602 4.120 -0.001 0.000 0.309 252 V C -2.538 173.636 176.094 0.134 0.000 1.077 252 V CA -2.279 60.098 62.300 0.128 0.000 0.910 252 V CB 2.215 34.080 31.823 0.070 0.000 1.008 252 V HN 0.440 nan 8.190 nan 0.000 0.424 253 P HA 0.303 nan 4.420 nan 0.000 0.271 253 P C 0.671 178.022 177.300 0.084 0.000 1.216 253 P CA -0.003 63.152 63.100 0.091 0.000 0.776 253 P CB 0.576 32.315 31.700 0.065 0.000 0.881 254 I N -0.944 119.678 120.570 0.086 0.000 4.181 254 I HA 0.422 4.592 4.170 -0.001 0.000 0.331 254 I C 0.273 176.433 176.117 0.071 0.000 1.312 254 I CA 0.230 61.574 61.300 0.073 0.000 1.146 254 I CB 0.319 38.361 38.000 0.069 0.000 1.074 254 I HN 0.156 nan 8.210 nan 0.000 0.402 255 K N 1.336 121.783 120.400 0.078 0.000 2.569 255 K HA 0.586 4.906 4.320 -0.001 0.000 0.259 255 K C -1.949 174.709 176.600 0.095 0.000 0.932 255 K CA -0.495 55.842 56.287 0.083 0.000 0.833 255 K CB 3.199 35.742 32.500 0.070 0.000 1.340 255 K HN -0.052 nan 8.250 nan 0.000 0.429 256 V N 4.098 124.087 119.914 0.125 0.000 2.487 256 V HA 0.435 4.555 4.120 -0.001 0.000 0.298 256 V C -0.864 175.334 176.094 0.172 0.000 1.028 256 V CA -0.588 61.800 62.300 0.146 0.000 0.860 256 V CB 1.551 33.483 31.823 0.181 0.000 0.991 256 V HN 0.855 nan 8.190 nan 0.000 0.427 257 E N 3.619 123.852 120.200 0.055 0.000 2.317 257 E HA 0.518 4.867 4.350 -0.001 0.000 0.270 257 E C -1.085 175.357 176.600 -0.263 0.000 0.885 257 E CA -1.010 55.354 56.400 -0.060 0.000 0.760 257 E CB 2.581 32.273 29.700 -0.013 0.000 1.227 257 E HN 0.549 nan 8.360 nan 0.000 0.434 258 Q N 2.400 121.874 119.800 -0.544 0.000 2.337 258 Q HA 0.199 4.539 4.340 -0.001 0.000 0.255 258 Q C 0.376 176.223 176.000 -0.255 0.000 0.997 258 Q CA -0.110 55.376 55.803 -0.529 0.000 0.925 258 Q CB 0.766 29.018 28.738 -0.809 0.000 1.212 258 Q HN 0.718 nan 8.270 nan 0.000 0.436 259 I N 2.296 122.762 120.570 -0.174 0.000 2.333 259 I HA -0.052 4.118 4.170 -0.001 0.000 0.246 259 I C 0.799 176.854 176.117 -0.104 0.000 1.106 259 I CA 0.981 62.212 61.300 -0.114 0.000 1.411 259 I CB 0.222 38.167 38.000 -0.092 0.000 1.082 259 I HN 0.597 nan 8.210 nan 0.000 0.420 260 E N 0.536 120.669 120.200 -0.113 0.000 2.321 260 E HA 0.525 4.874 4.350 -0.001 0.000 0.281 260 E C -1.290 175.251 176.600 -0.098 0.000 0.910 260 E CA -0.649 55.697 56.400 -0.091 0.000 0.770 260 E CB 1.800 31.456 29.700 -0.074 0.000 1.225 260 E HN 0.125 nan 8.360 nan 0.000 0.417 261 A N 2.313 125.084 122.820 -0.080 0.000 2.366 261 A HA 0.829 5.149 4.320 -0.001 0.000 0.249 261 A C 0.540 178.073 177.584 -0.085 0.000 1.084 261 A CA 0.770 52.766 52.037 -0.068 0.000 0.794 261 A CB 0.761 19.742 19.000 -0.031 0.000 1.034 261 A HN 0.821 nan 8.150 nan 0.000 0.491 262 G N -1.217 107.514 108.800 -0.115 0.000 2.336 262 G HA2 0.519 4.478 3.960 -0.001 0.000 0.286 262 G HA3 0.519 4.478 3.960 -0.001 0.000 0.286 262 G C -0.555 174.141 174.900 -0.341 0.000 1.269 262 G CA 0.359 45.356 45.100 -0.171 0.000 0.873 262 G HN 1.725 nan 8.290 nan 0.000 0.494 263 T N -0.429 113.858 114.554 -0.444 0.000 3.631 263 T HA 0.615 4.964 4.350 -0.001 0.000 0.256 263 T C -2.828 171.504 174.700 -0.614 0.000 1.187 263 T CA -0.820 60.735 62.100 -0.909 0.000 1.667 263 T CB 1.565 70.133 68.868 -0.499 0.000 0.804 263 T HN 0.571 nan 8.240 nan 0.000 0.639 264 P HA 0.561 nan 4.420 nan 0.000 0.282 264 P C 0.611 177.769 177.300 -0.237 0.000 1.259 264 P CA -0.117 62.730 63.100 -0.422 0.000 0.826 264 P CB 1.344 33.012 31.700 -0.053 0.000 1.064 265 G N 1.506 110.198 108.800 -0.180 0.000 2.509 265 G HA2 0.424 4.384 3.960 -0.001 0.000 0.269 265 G HA3 0.424 4.384 3.960 -0.001 0.000 0.269 265 G C -0.562 174.292 174.900 -0.076 0.000 1.416 265 G CA -0.775 44.255 45.100 -0.116 0.000 1.052 265 G HN 0.447 nan 8.290 nan 0.000 0.542 266 R N -0.808 119.645 120.500 -0.077 0.000 2.534 266 R HA 0.527 4.866 4.340 -0.001 0.000 0.301 266 R C -1.058 175.195 176.300 -0.078 0.000 0.961 266 R CA -0.477 55.584 56.100 -0.066 0.000 0.871 266 R CB 1.855 32.111 30.300 -0.073 0.000 1.170 266 R HN 0.259 nan 8.270 nan 0.000 0.446 267 L N 2.232 123.429 121.223 -0.042 0.000 2.381 267 L HA 0.590 4.929 4.340 -0.001 0.000 0.268 267 L C -0.167 176.697 176.870 -0.010 0.000 0.997 267 L CA -0.983 53.831 54.840 -0.043 0.000 0.818 267 L CB 2.358 44.422 42.059 0.008 0.000 1.310 267 L HN 0.412 nan 8.230 nan 0.000 0.416 268 R N 1.793 122.280 120.500 -0.023 0.000 2.294 268 R HA 0.638 4.977 4.340 -0.001 0.000 0.319 268 R C -1.585 174.747 176.300 0.053 0.000 0.984 268 R CA -0.465 55.632 56.100 -0.005 0.000 0.861 268 R CB 1.577 31.859 30.300 -0.031 0.000 1.104 268 R HN 0.446 nan 8.270 nan 0.000 0.451 269 V N 5.585 125.561 119.914 0.103 0.000 2.384 269 V HA 0.289 4.409 4.120 -0.001 0.000 0.287 269 V C -0.230 175.917 176.094 0.088 0.000 1.020 269 V CA -0.804 61.569 62.300 0.121 0.000 0.850 269 V CB 1.682 33.613 31.823 0.181 0.000 0.987 269 V HN 0.511 nan 8.190 nan 0.000 0.436 270 V N 4.452 124.410 119.914 0.073 0.000 2.407 270 V HA 0.816 4.936 4.120 -0.001 0.000 0.278 270 V C 0.443 176.590 176.094 0.087 0.000 1.037 270 V CA -0.183 62.156 62.300 0.065 0.000 0.900 270 V CB 1.422 33.280 31.823 0.058 0.000 0.983 270 V HN 1.003 nan 8.190 nan 0.000 0.459 271 A N 4.537 127.420 122.820 0.104 0.000 2.401 271 A HA 0.778 5.098 4.320 -0.001 0.000 0.310 271 A C -0.751 177.010 177.584 0.296 0.000 1.075 271 A CA -0.672 51.473 52.037 0.179 0.000 0.746 271 A CB 1.774 20.876 19.000 0.170 0.000 1.277 271 A HN 0.738 nan 8.150 nan 0.000 0.425 272 Q N 0.992 120.964 119.800 0.287 0.000 2.309 272 Q HA 0.539 4.878 4.340 -0.001 0.000 0.264 272 Q C 0.082 176.104 176.000 0.036 0.000 1.008 272 Q CA -0.469 55.461 55.803 0.211 0.000 0.853 272 Q CB 1.572 30.361 28.738 0.085 0.000 1.314 272 Q HN 0.911 nan 8.270 nan 0.000 0.448 273 S N 0.956 116.483 115.700 -0.289 0.000 2.566 273 S HA -0.008 4.461 4.470 -0.001 0.000 0.280 273 S C 1.045 175.412 174.600 -0.390 0.000 1.343 273 S CA 0.557 58.249 58.200 -0.847 0.000 1.036 273 S CB 0.692 63.513 63.200 -0.632 0.000 0.866 273 S HN 0.798 nan 8.310 nan 0.000 0.526 274 T N 0.220 114.549 114.554 -0.374 0.000 3.057 274 T HA 0.069 4.419 4.350 -0.001 0.000 0.254 274 T C 1.064 175.684 174.700 -0.135 0.000 1.094 274 T CA 0.706 62.698 62.100 -0.180 0.000 1.088 274 T CB -0.469 68.323 68.868 -0.127 0.000 0.934 274 T HN 0.821 nan 8.240 nan 0.000 0.497 275 N N 0.824 119.428 118.700 -0.159 0.000 2.159 275 N HA 0.141 4.880 4.740 -0.001 0.000 0.217 275 N C 0.083 175.540 175.510 -0.088 0.000 1.223 275 N CA -0.195 52.794 53.050 -0.101 0.000 0.896 275 N CB 0.884 39.319 38.487 -0.085 0.000 1.064 275 N HN 0.495 nan 8.380 nan 0.000 0.518 276 S N -0.094 115.541 115.700 -0.109 0.000 2.776 276 S HA 0.313 4.783 4.470 -0.001 0.000 0.292 276 S C -0.162 174.403 174.600 -0.058 0.000 1.187 276 S CA -0.773 57.386 58.200 -0.069 0.000 0.834 276 S CB 1.646 64.813 63.200 -0.056 0.000 1.199 276 S HN 0.087 nan 8.310 nan 0.000 0.514 277 E N 0.180 120.366 120.200 -0.023 0.000 2.465 277 E HA 0.133 4.482 4.350 -0.001 0.000 0.191 277 E C 0.031 176.646 176.600 0.026 0.000 1.053 277 E CA -0.114 56.285 56.400 -0.002 0.000 0.869 277 E CB 0.191 29.894 29.700 0.005 0.000 0.977 277 E HN 0.632 nan 8.360 nan 0.000 0.483 278 E N 1.528 121.747 120.200 0.031 0.000 2.452 278 E HA 0.074 4.424 4.350 -0.001 0.000 0.261 278 E C -0.713 176.002 176.600 0.190 0.000 0.987 278 E CA 0.246 56.709 56.400 0.104 0.000 0.926 278 E CB 0.522 30.305 29.700 0.138 0.000 0.934 278 E HN 0.063 nan 8.360 nan 0.000 0.452 279 I N 5.821 126.504 120.570 0.188 0.000 2.545 279 I HA 0.369 4.539 4.170 -0.001 0.000 0.292 279 I C -0.249 175.954 176.117 0.144 0.000 1.040 279 I CA -0.726 60.692 61.300 0.197 0.000 1.068 279 I CB 1.550 39.617 38.000 0.112 0.000 1.251 279 I HN 0.457 nan 8.210 nan 0.000 0.424 280 I N 1.544 122.167 120.570 0.089 0.000 2.785 280 I HA 0.676 4.845 4.170 -0.001 0.000 0.302 280 I C -1.060 175.035 176.117 -0.038 0.000 1.069 280 I CA -0.655 60.615 61.300 -0.049 0.000 1.045 280 I CB 2.234 40.089 38.000 -0.243 0.000 1.236 280 I HN 0.480 nan 8.210 nan 0.000 0.429 281 E N 1.820 121.992 120.200 -0.046 0.000 2.244 281 E HA 0.775 5.125 4.350 -0.001 0.000 0.266 281 E C -0.679 175.881 176.600 -0.067 0.000 0.914 281 E CA -1.078 55.302 56.400 -0.033 0.000 0.794 281 E CB 2.607 32.287 29.700 -0.032 0.000 1.210 281 E HN 0.961 nan 8.360 nan 0.000 0.414 282 G N 0.975 109.736 108.800 -0.066 0.000 2.718 282 G HA2 0.437 4.397 3.960 -0.001 0.000 0.295 282 G HA3 0.437 4.397 3.960 -0.001 0.000 0.295 282 G C -1.578 173.120 174.900 -0.338 0.000 1.421 282 G CA -0.759 44.201 45.100 -0.233 0.000 0.902 282 G HN 0.532 nan 8.290 nan 0.000 0.501 283 E N -0.100 119.770 120.200 -0.549 0.000 2.199 283 E HA 0.722 5.072 4.350 -0.001 0.000 0.269 283 E C -1.672 174.519 176.600 -0.681 0.000 0.899 283 E CA -0.908 55.235 56.400 -0.428 0.000 0.772 283 E CB 2.191 31.759 29.700 -0.221 0.000 1.155 283 E HN 0.488 nan 8.360 nan 0.000 0.408 284 Y N 1.163 121.431 120.300 -0.053 0.000 2.581 284 Y HA 0.276 4.825 4.550 -0.001 0.000 0.345 284 Y C 0.622 176.491 175.900 -0.050 0.000 1.036 284 Y CA -0.946 57.122 58.100 -0.053 0.000 1.042 284 Y CB 2.123 40.552 38.460 -0.053 0.000 1.289 284 Y HN 0.548 nan 8.280 nan 0.000 0.471 285 N N -0.598 118.168 118.700 0.109 0.000 2.290 285 N HA 0.029 4.768 4.740 -0.001 0.000 0.179 285 N C -0.487 175.061 175.510 0.063 0.000 1.016 285 N CA 1.040 54.117 53.050 0.045 0.000 0.871 285 N CB 0.329 38.825 38.487 0.015 0.000 0.987 285 N HN 0.457 nan 8.380 nan 0.000 0.431 286 T N 0.159 114.753 114.554 0.066 0.000 2.912 286 T HA 0.486 4.836 4.350 -0.001 0.000 0.299 286 T C -1.209 173.483 174.700 -0.014 0.000 1.052 286 T CA -0.579 61.543 62.100 0.037 0.000 0.996 286 T CB 2.751 71.614 68.868 -0.008 0.000 1.070 286 T HN -0.351 nan 8.240 nan 0.000 0.465 287 V N 3.741 123.645 119.914 -0.016 0.000 2.443 287 V HA 0.524 4.643 4.120 -0.001 0.000 0.293 287 V C -0.341 175.704 176.094 -0.082 0.000 1.021 287 V CA -0.734 61.518 62.300 -0.080 0.000 0.848 287 V CB 1.576 33.382 31.823 -0.028 0.000 0.998 287 V HN 0.875 nan 8.190 nan 0.000 0.424 288 M N 6.022 125.540 119.600 -0.136 0.000 2.205 288 M HA 0.578 5.057 4.480 -0.001 0.000 0.344 288 M C -1.502 174.706 176.300 -0.152 0.000 1.085 288 M CA -0.600 54.615 55.300 -0.140 0.000 1.001 288 M CB 1.299 33.801 32.600 -0.163 0.000 1.626 288 M HN 0.519 nan 8.290 nan 0.000 0.442 289 L N 5.295 126.413 121.223 -0.175 0.000 2.264 289 L HA 0.515 4.855 4.340 -0.001 0.000 0.287 289 L C -0.045 176.712 176.870 -0.188 0.000 1.039 289 L CA -0.496 54.227 54.840 -0.195 0.000 0.829 289 L CB 1.139 43.022 42.059 -0.293 0.000 1.211 289 L HN 0.885 nan 8.230 nan 0.000 0.427 290 A N 5.538 128.276 122.820 -0.136 0.000 3.218 290 A HA 0.390 4.709 4.320 -0.001 0.000 0.321 290 A C 0.599 178.133 177.584 -0.083 0.000 1.012 290 A CA -0.390 51.579 52.037 -0.114 0.000 0.948 290 A CB -0.161 18.775 19.000 -0.107 0.000 1.050 290 A HN 0.809 nan 8.150 nan 0.000 0.492 291 I N -2.350 118.173 120.570 -0.078 0.000 3.889 291 I HA 0.600 4.769 4.170 -0.001 0.000 0.332 291 I C 0.457 176.562 176.117 -0.020 0.000 1.493 291 I CA 0.198 61.475 61.300 -0.039 0.000 1.158 291 I CB -0.069 37.914 38.000 -0.029 0.000 1.117 291 I HN 0.549 nan 8.210 nan 0.000 0.411 292 G N 1.802 110.584 108.800 -0.030 0.000 2.462 292 G HA2 0.011 3.970 3.960 -0.001 0.000 0.685 292 G HA3 0.011 3.970 3.960 -0.001 0.000 0.685 292 G C -1.169 173.737 174.900 0.010 0.000 1.295 292 G CA -1.066 44.032 45.100 -0.004 0.000 0.941 292 G HN 0.420 nan 8.290 nan 0.000 0.554 293 R N 0.032 120.554 120.500 0.036 0.000 2.725 293 R HA 0.580 4.919 4.340 -0.001 0.000 0.277 293 R C -1.794 174.548 176.300 0.070 0.000 0.987 293 R CA -1.024 55.111 56.100 0.059 0.000 0.901 293 R CB 2.314 32.654 30.300 0.067 0.000 1.207 293 R HN 0.537 nan 8.270 nan 0.000 0.463 294 D N 1.107 121.557 120.400 0.084 0.000 2.192 294 D HA 0.335 4.975 4.640 -0.001 0.000 0.246 294 D C -0.275 176.076 176.300 0.086 0.000 1.042 294 D CA -0.410 53.639 54.000 0.081 0.000 0.847 294 D CB 2.112 42.964 40.800 0.087 0.000 1.186 294 D HN 0.581 nan 8.370 nan 0.000 0.461 295 A N 1.315 124.178 122.820 0.073 0.000 2.511 295 A HA 0.123 4.442 4.320 -0.001 0.000 0.242 295 A C 0.505 178.137 177.584 0.080 0.000 1.069 295 A CA -0.256 51.825 52.037 0.072 0.000 0.763 295 A CB 0.051 19.084 19.000 0.056 0.000 1.001 295 A HN 0.733 nan 8.150 nan 0.000 0.498 296 C N 3.008 122.360 119.300 0.087 0.000 2.865 296 C HA 0.316 4.776 4.460 -0.001 0.000 0.545 296 C C 1.735 176.771 174.990 0.077 0.000 1.154 296 C CA 0.293 59.369 59.018 0.097 0.000 1.375 296 C CB -2.239 25.569 27.740 0.114 0.000 1.627 296 C HN 0.911 nan 8.230 nan 0.000 0.623 297 T N -2.974 111.621 114.554 0.069 0.000 3.040 297 T HA 0.099 4.449 4.350 -0.001 0.000 0.266 297 T C 1.692 176.427 174.700 0.059 0.000 1.005 297 T CA -0.075 62.060 62.100 0.058 0.000 0.906 297 T CB 0.057 68.952 68.868 0.044 0.000 1.082 297 T HN 0.413 nan 8.240 nan 0.000 0.531 298 R N 1.628 122.169 120.500 0.067 0.000 2.140 298 R HA 0.168 4.508 4.340 -0.001 0.000 0.213 298 R C 0.877 177.219 176.300 0.070 0.000 1.059 298 R CA 0.415 56.551 56.100 0.059 0.000 1.000 298 R CB -0.123 30.209 30.300 0.054 0.000 0.910 298 R HN 0.240 nan 8.270 nan 0.000 0.455 299 K N 1.259 121.719 120.400 0.100 0.000 2.861 299 K HA 0.303 4.623 4.320 -0.001 0.000 0.210 299 K C 0.907 177.607 176.600 0.167 0.000 1.112 299 K CA -0.046 56.315 56.287 0.124 0.000 1.076 299 K CB -0.253 32.325 32.500 0.129 0.000 0.853 299 K HN 0.416 nan 8.250 nan 0.000 0.463 300 I N -4.008 116.626 120.570 0.106 0.000 3.833 300 I HA 0.483 4.653 4.170 -0.001 0.000 0.328 300 I C 0.824 177.010 176.117 0.115 0.000 1.554 300 I CA -0.246 61.087 61.300 0.055 0.000 1.116 300 I CB 0.606 38.588 38.000 -0.029 0.000 1.182 300 I HN 0.292 nan 8.210 nan 0.000 0.459 301 G N 2.099 110.971 108.800 0.120 0.000 2.176 301 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.252 301 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.252 301 G C 0.595 175.580 174.900 0.143 0.000 1.024 301 G CA 0.593 45.775 45.100 0.137 0.000 0.755 301 G HN 0.497 nan 8.290 nan 0.000 0.507 302 L N -0.609 120.671 121.223 0.096 0.000 2.191 302 L HA -0.099 4.240 4.340 -0.001 0.000 0.212 302 L C 2.798 179.618 176.870 -0.083 0.000 1.103 302 L CA 2.036 56.860 54.840 -0.026 0.000 0.769 302 L CB -0.345 41.699 42.059 -0.025 0.000 0.908 302 L HN 0.458 nan 8.230 nan 0.000 0.438 303 E N -0.394 119.787 120.200 -0.031 0.000 2.085 303 E HA -0.219 4.131 4.350 -0.001 0.000 0.194 303 E C 2.040 178.611 176.600 -0.047 0.000 0.994 303 E CA 1.765 58.143 56.400 -0.037 0.000 0.801 303 E CB -0.990 28.703 29.700 -0.011 0.000 0.743 303 E HN 0.510 nan 8.360 nan 0.000 0.453 304 T N -1.863 112.674 114.554 -0.029 0.000 3.051 304 T HA -0.021 4.328 4.350 -0.001 0.000 0.269 304 T C 1.662 176.322 174.700 -0.066 0.000 1.127 304 T CA 0.923 63.012 62.100 -0.019 0.000 1.107 304 T CB 0.048 68.934 68.868 0.030 0.000 0.898 304 T HN 0.119 nan 8.240 nan 0.000 0.517 305 V N -0.486 119.328 119.914 -0.166 0.000 3.451 305 V HA 0.579 4.699 4.120 -0.001 0.000 0.288 305 V C 1.427 177.370 176.094 -0.253 0.000 1.502 305 V CA 0.625 62.769 62.300 -0.259 0.000 1.026 305 V CB 0.063 31.535 31.823 -0.585 0.000 0.840 305 V HN 0.768 nan 8.190 nan 0.000 0.437 306 G N 0.630 109.312 108.800 -0.197 0.000 2.141 306 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.231 306 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.231 306 G C 0.147 174.937 174.900 -0.183 0.000 0.984 306 G CA 0.189 45.196 45.100 -0.156 0.000 0.660 306 G HN 0.637 nan 8.290 nan 0.000 0.525 307 V N 1.428 121.203 119.914 -0.231 0.000 2.521 307 V HA 0.346 4.465 4.120 -0.001 0.000 0.286 307 V C 1.030 177.044 176.094 -0.133 0.000 1.034 307 V CA 0.050 62.223 62.300 -0.212 0.000 1.045 307 V CB 1.164 32.843 31.823 -0.239 0.000 0.974 307 V HN 0.298 nan 8.190 nan 0.000 0.480 308 K N 6.149 126.480 120.400 -0.115 0.000 2.249 308 K HA 0.567 4.887 4.320 -0.001 0.000 0.280 308 K C -0.153 176.408 176.600 -0.065 0.000 1.033 308 K CA -0.281 55.958 56.287 -0.080 0.000 0.946 308 K CB 1.234 33.689 32.500 -0.074 0.000 1.005 308 K HN 0.706 nan 8.250 nan 0.000 0.469 309 I N -1.166 119.376 120.570 -0.046 0.000 3.042 309 I HA 0.532 4.701 4.170 -0.001 0.000 0.310 309 I C -0.295 175.808 176.117 -0.025 0.000 1.117 309 I CA -1.077 60.204 61.300 -0.032 0.000 1.003 309 I CB 2.232 40.222 38.000 -0.018 0.000 1.228 309 I HN 0.430 nan 8.210 nan 0.000 0.443 310 N N 3.311 122.000 118.700 -0.019 0.000 2.405 310 N HA 0.035 4.774 4.740 -0.001 0.000 0.260 310 N C 0.613 176.120 175.510 -0.006 0.000 1.152 310 N CA 0.219 53.260 53.050 -0.014 0.000 0.948 310 N CB 0.826 39.306 38.487 -0.013 0.000 1.111 310 N HN 0.645 nan 8.380 nan 0.000 0.485 311 E N 3.246 123.442 120.200 -0.006 0.000 2.204 311 E HA -0.167 4.182 4.350 -0.001 0.000 0.194 311 E C 1.175 177.777 176.600 0.005 0.000 0.989 311 E CA 0.855 57.254 56.400 -0.000 0.000 0.824 311 E CB 0.269 29.968 29.700 -0.003 0.000 0.756 311 E HN 0.656 nan 8.360 nan 0.000 0.477 312 K N 0.288 120.690 120.400 0.003 0.000 1.991 312 K HA -0.095 4.224 4.320 -0.001 0.000 0.207 312 K C 2.175 178.782 176.600 0.012 0.000 1.045 312 K CA 1.890 58.182 56.287 0.007 0.000 0.937 312 K CB -0.015 32.487 32.500 0.004 0.000 0.720 312 K HN 0.156 nan 8.250 nan 0.000 0.438 313 T N -3.592 110.969 114.554 0.010 0.000 3.067 313 T HA 0.180 4.529 4.350 -0.001 0.000 0.257 313 T C 1.383 176.096 174.700 0.021 0.000 1.105 313 T CA 0.735 62.844 62.100 0.016 0.000 1.104 313 T CB 0.416 69.290 68.868 0.011 0.000 0.925 313 T HN 0.460 nan 8.240 nan 0.000 0.498 314 G N 1.524 110.335 108.800 0.017 0.000 2.199 314 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.254 314 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.254 314 G C 0.173 175.085 174.900 0.019 0.000 0.982 314 G CA 0.153 45.266 45.100 0.023 0.000 0.632 314 G HN 0.617 nan 8.290 nan 0.000 0.529 315 K N 0.328 120.735 120.400 0.012 0.000 2.168 315 K HA 0.569 4.888 4.320 -0.001 0.000 0.258 315 K C 0.520 177.116 176.600 -0.007 0.000 1.010 315 K CA -0.370 55.921 56.287 0.006 0.000 0.929 315 K CB 1.112 33.612 32.500 0.000 0.000 0.998 315 K HN 0.318 nan 8.250 nan 0.000 0.479 316 I N 4.219 124.783 120.570 -0.011 0.000 2.330 316 I HA 0.166 4.335 4.170 -0.001 0.000 0.289 316 I C -2.009 174.084 176.117 -0.040 0.000 1.001 316 I CA -2.343 58.943 61.300 -0.024 0.000 1.193 316 I CB 1.572 39.562 38.000 -0.016 0.000 1.345 316 I HN 0.210 nan 8.210 nan 0.000 0.461 317 P HA 0.187 nan 4.420 nan 0.000 0.271 317 P C -0.654 176.604 177.300 -0.070 0.000 1.218 317 P CA -0.054 63.009 63.100 -0.060 0.000 0.780 317 P CB 2.164 33.829 31.700 -0.058 0.000 0.901 318 V N 1.403 121.272 119.914 -0.074 0.000 3.178 318 V HA 0.360 4.479 4.120 -0.001 0.000 0.302 318 V C 0.272 176.326 176.094 -0.068 0.000 1.262 318 V CA -0.480 61.775 62.300 -0.074 0.000 1.030 318 V CB 2.482 34.273 31.823 -0.054 0.000 1.074 318 V HN 0.828 nan 8.190 nan 0.000 0.438 319 T N -0.189 114.329 114.554 -0.060 0.000 2.726 319 T HA 0.148 4.497 4.350 -0.001 0.000 0.294 319 T C 0.884 175.579 174.700 -0.008 0.000 1.013 319 T CA 0.425 62.503 62.100 -0.037 0.000 0.996 319 T CB 0.516 69.364 68.868 -0.034 0.000 1.016 319 T HN 0.880 nan 8.240 nan 0.000 0.529 320 D N -1.134 119.271 120.400 0.009 0.000 2.392 320 D HA -0.093 4.547 4.640 -0.001 0.000 0.228 320 D C 1.021 177.374 176.300 0.088 0.000 1.003 320 D CA 0.613 54.642 54.000 0.049 0.000 0.917 320 D CB -0.256 40.572 40.800 0.046 0.000 0.890 320 D HN 0.831 nan 8.370 nan 0.000 0.532 321 E N -0.381 119.865 120.200 0.076 0.000 2.603 321 E HA 0.079 4.429 4.350 -0.001 0.000 0.211 321 E C -0.410 176.290 176.600 0.167 0.000 0.995 321 E CA -0.159 56.306 56.400 0.109 0.000 0.990 321 E CB 0.185 29.942 29.700 0.094 0.000 1.036 321 E HN -0.030 nan 8.360 nan 0.000 0.475 322 E N 0.156 120.436 120.200 0.132 0.000 2.971 322 E HA -0.265 4.085 4.350 -0.001 0.000 0.278 322 E C -0.361 176.313 176.600 0.123 0.000 1.009 322 E CA 0.725 57.214 56.400 0.149 0.000 0.862 322 E CB -1.165 28.659 29.700 0.207 0.000 1.436 322 E HN 0.323 nan 8.360 nan 0.000 0.434 323 Q N 0.775 120.547 119.800 -0.046 0.000 2.256 323 Q HA 0.379 4.719 4.340 -0.001 0.000 0.254 323 Q C 0.469 176.300 176.000 -0.281 0.000 0.916 323 Q CA 0.144 55.709 55.803 -0.397 0.000 0.932 323 Q CB 0.910 29.385 28.738 -0.440 0.000 1.207 323 Q HN 0.287 nan 8.270 nan 0.000 0.426 324 T N 0.029 114.385 114.554 -0.330 0.000 2.771 324 T HA 0.067 4.416 4.350 -0.001 0.000 0.290 324 T C 1.296 175.851 174.700 -0.240 0.000 1.005 324 T CA -0.085 61.875 62.100 -0.233 0.000 0.944 324 T CB 0.360 69.093 68.868 -0.226 0.000 1.147 324 T HN 0.818 nan 8.240 nan 0.000 0.534 325 N N -0.257 118.327 118.700 -0.192 0.000 2.364 325 N HA -0.087 4.653 4.740 -0.001 0.000 0.183 325 N C 0.225 175.615 175.510 -0.199 0.000 1.022 325 N CA 0.463 53.413 53.050 -0.167 0.000 0.883 325 N CB -0.700 37.710 38.487 -0.128 0.000 0.965 325 N HN 0.405 nan 8.380 nan 0.000 0.438 326 V N 2.710 122.454 119.914 -0.284 0.000 2.368 326 V HA 0.173 4.292 4.120 -0.001 0.000 0.266 326 V C -1.339 174.511 176.094 -0.406 0.000 1.045 326 V CA -1.291 60.792 62.300 -0.362 0.000 0.899 326 V CB 1.429 32.917 31.823 -0.559 0.000 1.006 326 V HN -0.009 nan 8.190 nan 0.000 0.470 327 P HA -0.184 nan 4.420 nan 0.000 0.216 327 P C 1.268 178.480 177.300 -0.147 0.000 1.153 327 P CA 1.578 64.580 63.100 -0.164 0.000 0.858 327 P CB -0.011 31.695 31.700 0.011 0.000 0.789 328 Y N -2.182 118.089 120.300 -0.049 0.000 2.546 328 Y HA 0.319 4.868 4.550 -0.001 0.000 0.287 328 Y C 0.567 176.563 175.900 0.160 0.000 1.158 328 Y CA -0.455 57.701 58.100 0.093 0.000 1.307 328 Y CB -0.777 37.717 38.460 0.058 0.000 1.036 328 Y HN -0.179 nan 8.280 nan 0.000 0.532 329 I N 1.513 121.862 120.570 -0.368 0.000 2.354 329 I HA 0.274 4.443 4.170 -0.001 0.000 0.292 329 I C -1.201 174.811 176.117 -0.175 0.000 0.989 329 I CA -0.899 60.308 61.300 -0.155 0.000 1.188 329 I CB 0.889 38.636 38.000 -0.422 0.000 1.342 329 I HN -0.051 nan 8.210 nan 0.000 0.457 330 Y N 4.069 124.382 120.300 0.021 0.000 2.549 330 Y HA 0.793 5.343 4.550 -0.000 0.000 0.339 330 Y C 0.181 176.105 175.900 0.040 0.000 1.053 330 Y CA -0.984 57.126 58.100 0.016 0.000 1.105 330 Y CB 2.027 40.504 38.460 0.027 0.000 1.258 330 Y HN 0.556 nan 8.280 nan 0.000 0.478 331 A N 2.428 125.352 122.820 0.173 0.000 2.449 331 A HA 0.886 5.206 4.320 -0.001 0.000 0.302 331 A C -1.191 176.463 177.584 0.118 0.000 1.048 331 A CA -0.633 51.476 52.037 0.120 0.000 0.708 331 A CB 0.991 20.027 19.000 0.061 0.000 1.274 331 A HN 0.761 nan 8.150 nan 0.000 0.410 332 I N -1.207 119.427 120.570 0.106 0.000 3.074 332 I HA 0.969 5.139 4.170 -0.001 0.000 0.310 332 I C 0.359 176.532 176.117 0.093 0.000 1.153 332 I CA -0.287 61.077 61.300 0.108 0.000 0.993 332 I CB 2.140 40.204 38.000 0.108 0.000 1.237 332 I HN 1.934 nan 8.210 nan 0.000 0.443 333 G N 2.757 111.621 108.800 0.107 0.000 2.512 333 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.210 333 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.210 333 G C -0.183 174.770 174.900 0.090 0.000 1.295 333 G CA 0.307 45.464 45.100 0.096 0.000 0.934 333 G HN 0.767 nan 8.290 nan 0.000 0.554 334 D N -0.328 120.124 120.400 0.086 0.000 2.218 334 D HA -0.049 4.590 4.640 -0.001 0.000 0.204 334 D C 2.547 178.886 176.300 0.065 0.000 0.976 334 D CA 1.078 55.127 54.000 0.083 0.000 0.853 334 D CB -0.098 40.758 40.800 0.093 0.000 0.939 334 D HN 0.307 nan 8.370 nan 0.000 0.481 335 I N 0.638 121.245 120.570 0.062 0.000 2.300 335 I HA -0.201 3.969 4.170 -0.001 0.000 0.252 335 I C 0.686 176.820 176.117 0.028 0.000 1.119 335 I CA 0.435 61.764 61.300 0.048 0.000 1.384 335 I CB -0.425 37.607 38.000 0.053 0.000 1.062 335 I HN -0.032 nan 8.210 nan 0.000 0.426 336 L N 0.519 121.754 121.223 0.021 0.000 2.461 336 L HA 0.015 4.354 4.340 -0.001 0.000 0.272 336 L C 0.870 177.720 176.870 -0.034 0.000 1.197 336 L CA 0.389 55.220 54.840 -0.016 0.000 0.836 336 L CB -0.384 41.651 42.059 -0.041 0.000 1.105 336 L HN 0.189 nan 8.230 nan 0.000 0.477 337 E N 2.532 122.701 120.200 -0.052 0.000 2.259 337 E HA 0.036 4.386 4.350 -0.001 0.000 0.281 337 E C -0.550 176.001 176.600 -0.082 0.000 1.037 337 E CA -0.341 56.028 56.400 -0.053 0.000 0.854 337 E CB 0.278 29.949 29.700 -0.049 0.000 1.051 337 E HN 0.530 nan 8.360 nan 0.000 0.409 338 D N 2.911 123.272 120.400 -0.065 0.000 2.723 338 D HA -0.174 4.466 4.640 -0.001 0.000 0.236 338 D C -0.310 175.915 176.300 -0.125 0.000 1.138 338 D CA 0.954 54.908 54.000 -0.076 0.000 0.676 338 D CB -0.370 40.389 40.800 -0.069 0.000 1.069 338 D HN 0.388 nan 8.370 nan 0.000 0.430 339 K N -0.935 119.385 120.400 -0.133 0.000 2.096 339 K HA 0.687 5.007 4.320 -0.001 0.000 0.263 339 K C 0.359 176.949 176.600 -0.018 0.000 1.013 339 K CA -0.552 55.617 56.287 -0.198 0.000 1.218 339 K CB 0.657 32.941 32.500 -0.359 0.000 1.961 339 K HN -0.084 nan 8.250 nan 0.000 0.851 340 V N 1.836 121.815 119.914 0.108 0.000 2.444 340 V HA 0.248 4.367 4.120 -0.001 0.000 0.294 340 V C -0.626 175.543 176.094 0.125 0.000 1.022 340 V CA -0.629 61.743 62.300 0.120 0.000 0.850 340 V CB 1.417 33.334 31.823 0.157 0.000 0.992 340 V HN 0.524 nan 8.190 nan 0.000 0.426 341 E N 5.397 125.656 120.200 0.098 0.000 2.122 341 E HA 0.503 4.853 4.350 -0.001 0.000 0.288 341 E C -0.949 175.725 176.600 0.123 0.000 1.260 341 E CA 0.071 56.541 56.400 0.116 0.000 1.344 341 E CB 0.280 30.059 29.700 0.131 0.000 1.337 341 E HN 0.504 nan 8.360 nan 0.000 0.484 342 L N -0.227 121.057 121.223 0.101 0.000 2.409 342 L HA 0.297 4.636 4.340 -0.001 0.000 0.262 342 L C 1.339 178.252 176.870 0.071 0.000 0.992 342 L CA -0.679 54.210 54.840 0.082 0.000 0.817 342 L CB 1.970 44.056 42.059 0.046 0.000 1.350 342 L HN 0.097 nan 8.230 nan 0.000 0.411 343 T N 1.134 115.728 114.554 0.066 0.000 2.635 343 T HA -0.081 4.269 4.350 -0.001 0.000 0.267 343 T C -1.106 173.615 174.700 0.036 0.000 1.040 343 T CA 1.954 64.085 62.100 0.052 0.000 1.156 343 T CB -0.554 68.343 68.868 0.048 0.000 0.863 343 T HN 0.504 nan 8.240 nan 0.000 0.430 344 P HA 0.063 nan 4.420 nan 0.000 0.223 344 P C 1.499 178.792 177.300 -0.011 0.000 1.151 344 P CA 0.491 63.595 63.100 0.007 0.000 0.787 344 P CB -0.196 31.505 31.700 0.001 0.000 0.788 345 V N 0.620 120.532 119.914 -0.003 0.000 2.323 345 V HA -0.190 3.930 4.120 -0.001 0.000 0.244 345 V C 2.642 178.738 176.094 0.004 0.000 1.041 345 V CA 2.091 64.374 62.300 -0.028 0.000 1.025 345 V CB -1.709 30.130 31.823 0.027 0.000 0.656 345 V HN 0.096 nan 8.190 nan 0.000 0.451 346 A N 0.127 122.976 122.820 0.049 0.000 1.908 346 A HA -0.210 4.109 4.320 -0.001 0.000 0.218 346 A C 2.184 179.787 177.584 0.032 0.000 1.181 346 A CA 2.122 54.194 52.037 0.059 0.000 0.627 346 A CB -0.587 18.449 19.000 0.060 0.000 0.818 346 A HN 0.518 nan 8.150 nan 0.000 0.445 347 I N -1.074 119.507 120.570 0.018 0.000 2.252 347 I HA -0.268 3.901 4.170 -0.001 0.000 0.245 347 I C 2.769 178.886 176.117 -0.001 0.000 1.102 347 I CA 1.782 63.090 61.300 0.013 0.000 1.385 347 I CB -0.341 37.669 38.000 0.016 0.000 1.064 347 I HN 0.429 nan 8.210 nan 0.000 0.414 348 Q N 1.384 121.169 119.800 -0.025 0.000 2.084 348 Q HA -0.181 4.158 4.340 -0.001 0.000 0.202 348 Q C 2.184 178.156 176.000 -0.047 0.000 0.978 348 Q CA 2.271 58.044 55.803 -0.050 0.000 0.844 348 Q CB -0.289 28.389 28.738 -0.100 0.000 0.898 348 Q HN 0.483 nan 8.270 nan 0.000 0.426 349 A N -0.240 122.555 122.820 -0.041 0.000 1.908 349 A HA -0.080 4.239 4.320 -0.001 0.000 0.218 349 A C 2.275 179.874 177.584 0.026 0.000 1.181 349 A CA 1.724 53.765 52.037 0.007 0.000 0.627 349 A CB -1.396 17.653 19.000 0.082 0.000 0.818 349 A HN 0.569 nan 8.150 nan 0.000 0.445 350 G N -0.985 107.831 108.800 0.027 0.000 2.404 350 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.215 350 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.215 350 G C 1.773 176.688 174.900 0.026 0.000 1.174 350 G CA 0.779 45.896 45.100 0.028 0.000 0.780 350 G HN 0.505 nan 8.290 nan 0.000 0.537 351 R N -0.298 120.217 120.500 0.026 0.000 2.080 351 R HA 0.012 4.351 4.340 -0.001 0.000 0.236 351 R C 2.671 178.989 176.300 0.030 0.000 1.137 351 R CA 1.306 57.429 56.100 0.039 0.000 0.943 351 R CB -0.536 29.781 30.300 0.028 0.000 0.846 351 R HN 0.326 nan 8.270 nan 0.000 0.431 352 L N 0.557 121.783 121.223 0.004 0.000 2.141 352 L HA -0.179 4.160 4.340 -0.001 0.000 0.209 352 L C 2.426 179.277 176.870 -0.030 0.000 1.094 352 L CA 0.412 55.246 54.840 -0.011 0.000 0.763 352 L CB -0.380 41.666 42.059 -0.022 0.000 0.908 352 L HN 0.230 nan 8.230 nan 0.000 0.437 353 L N 0.399 121.603 121.223 -0.032 0.000 2.017 353 L HA -0.117 4.222 4.340 -0.001 0.000 0.208 353 L C 2.646 179.421 176.870 -0.158 0.000 1.073 353 L CA 2.073 56.859 54.840 -0.091 0.000 0.745 353 L CB -0.843 41.170 42.059 -0.077 0.000 0.894 353 L HN 0.113 nan 8.230 nan 0.000 0.432 354 A N -1.001 121.781 122.820 -0.063 0.000 1.940 354 A HA -0.276 4.044 4.320 -0.001 0.000 0.219 354 A C 2.221 179.773 177.584 -0.054 0.000 1.176 354 A CA 2.016 54.066 52.037 0.021 0.000 0.631 354 A CB -0.620 18.487 19.000 0.178 0.000 0.814 354 A HN 0.697 nan 8.150 nan 0.000 0.446 355 Q N -1.202 118.561 119.800 -0.062 0.000 2.123 355 Q HA -0.092 4.247 4.340 -0.001 0.000 0.199 355 Q C 2.376 178.262 176.000 -0.190 0.000 0.966 355 Q CA 1.260 56.976 55.803 -0.144 0.000 0.845 355 Q CB -0.093 28.620 28.738 -0.041 0.000 0.907 355 Q HN 0.623 nan 8.270 nan 0.000 0.439 356 R N 0.212 120.616 120.500 -0.160 0.000 2.081 356 R HA -0.088 4.252 4.340 -0.001 0.000 0.235 356 R C 2.171 178.323 176.300 -0.247 0.000 1.131 356 R CA 1.109 57.114 56.100 -0.159 0.000 0.960 356 R CB -0.118 30.115 30.300 -0.112 0.000 0.856 356 R HN 0.210 nan 8.270 nan 0.000 0.436 357 L N -1.404 119.572 121.223 -0.413 0.000 2.072 357 L HA -0.140 4.199 4.340 -0.001 0.000 0.205 357 L C 1.167 177.631 176.870 -0.678 0.000 1.079 357 L CA 1.171 55.594 54.840 -0.695 0.000 0.752 357 L CB 0.000 41.316 42.059 -1.239 0.000 0.906 357 L HN 0.265 nan 8.230 nan 0.000 0.436 358 Y N -2.303 117.867 120.300 -0.216 0.000 2.527 358 Y HA 0.406 4.955 4.550 -0.001 0.000 0.247 358 Y C 1.216 176.846 175.900 -0.449 0.000 1.138 358 Y CA -0.117 57.827 58.100 -0.259 0.000 1.228 358 Y CB 0.352 38.686 38.460 -0.209 0.000 1.252 358 Y HN -0.025 nan 8.280 nan 0.000 0.531 359 A N -0.797 121.793 122.820 -0.382 0.000 2.624 359 A HA 0.583 4.902 4.320 -0.001 0.000 0.287 359 A C 1.659 179.134 177.584 -0.182 0.000 1.087 359 A CA 0.296 52.088 52.037 -0.407 0.000 0.964 359 A CB -0.500 18.058 19.000 -0.737 0.000 1.231 359 A HN 0.490 nan 8.150 nan 0.000 0.551 360 G N 0.117 108.835 108.800 -0.136 0.000 2.155 360 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.257 360 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.257 360 G C 0.580 175.441 174.900 -0.065 0.000 0.983 360 G CA 0.878 45.931 45.100 -0.078 0.000 0.676 360 G HN 1.526 nan 8.290 nan 0.000 0.528 361 S N -0.504 115.147 115.700 -0.082 0.000 2.593 361 S HA 0.561 5.031 4.470 -0.001 0.000 0.269 361 S C 1.507 176.080 174.600 -0.046 0.000 1.334 361 S CA 1.265 59.432 58.200 -0.055 0.000 1.015 361 S CB 0.960 64.126 63.200 -0.055 0.000 0.912 361 S HN 1.287 nan 8.310 nan 0.000 0.541 362 T N 0.141 114.678 114.554 -0.028 0.000 3.170 362 T HA 0.301 4.651 4.350 -0.001 0.000 0.288 362 T C -0.167 174.526 174.700 -0.012 0.000 0.992 362 T CA -0.357 61.731 62.100 -0.018 0.000 0.909 362 T CB -0.299 68.562 68.868 -0.012 0.000 1.133 362 T HN 0.320 nan 8.240 nan 0.000 0.530 363 V N 2.470 122.374 119.914 -0.016 0.000 2.488 363 V HA 0.366 4.485 4.120 -0.001 0.000 0.277 363 V C 0.257 176.345 176.094 -0.010 0.000 1.046 363 V CA -0.455 61.838 62.300 -0.013 0.000 0.986 363 V CB 0.798 32.612 31.823 -0.016 0.000 0.989 363 V HN 0.383 nan 8.190 nan 0.000 0.475 364 K N 2.508 122.907 120.400 -0.002 0.000 2.139 364 K HA 0.496 4.815 4.320 -0.001 0.000 0.243 364 K C -0.516 176.074 176.600 -0.017 0.000 0.983 364 K CA -0.619 55.675 56.287 0.011 0.000 0.890 364 K CB 1.722 34.245 32.500 0.038 0.000 1.090 364 K HN 0.700 nan 8.250 nan 0.000 0.445 365 C N 1.902 121.187 119.300 -0.025 0.000 2.499 365 C HA 0.137 4.596 4.460 -0.001 0.000 0.386 365 C C -0.222 174.644 174.990 -0.207 0.000 1.293 365 C CA -0.233 58.678 59.018 -0.178 0.000 1.884 365 C CB -0.615 26.950 27.740 -0.293 0.000 2.509 365 C HN 0.636 nan 8.230 nan 0.000 0.566 366 D N 3.843 124.110 120.400 -0.222 0.000 2.359 366 D HA 0.224 4.863 4.640 -0.001 0.000 0.230 366 D C -0.198 176.001 176.300 -0.168 0.000 1.118 366 D CA -0.124 53.813 54.000 -0.105 0.000 0.844 366 D CB 0.364 41.129 40.800 -0.058 0.000 1.059 366 D HN 0.686 nan 8.370 nan 0.000 0.493 367 Y N 1.541 121.838 120.300 -0.004 0.000 2.461 367 Y HA 0.142 4.692 4.550 -0.000 0.000 0.277 367 Y C 0.738 176.632 175.900 -0.010 0.000 1.182 367 Y CA -0.190 57.906 58.100 -0.006 0.000 1.276 367 Y CB 0.431 38.889 38.460 -0.004 0.000 1.087 367 Y HN 0.193 nan 8.280 nan 0.000 0.519 368 E N 0.962 121.221 120.200 0.099 0.000 2.266 368 E HA 0.106 4.456 4.350 -0.001 0.000 0.277 368 E C -0.029 176.586 176.600 0.026 0.000 1.018 368 E CA -0.284 56.152 56.400 0.060 0.000 0.840 368 E CB 0.579 30.309 29.700 0.050 0.000 1.082 368 E HN 0.246 nan 8.360 nan 0.000 0.395 369 N N 0.291 119.005 118.700 0.022 0.000 2.725 369 N HA -0.163 4.576 4.740 -0.001 0.000 0.251 369 N C -0.627 174.871 175.510 -0.019 0.000 1.031 369 N CA 0.439 53.491 53.050 0.003 0.000 0.720 369 N CB -1.458 37.031 38.487 0.003 0.000 0.930 369 N HN 0.158 nan 8.380 nan 0.000 0.543 370 V N 1.718 121.624 119.914 -0.013 0.000 2.470 370 V HA 0.219 4.338 4.120 -0.001 0.000 0.276 370 V C -1.144 174.926 176.094 -0.041 0.000 1.040 370 V CA -0.914 61.369 62.300 -0.028 0.000 1.008 370 V CB 1.001 32.818 31.823 -0.010 0.000 0.990 370 V HN 0.152 nan 8.190 nan 0.000 0.477 371 P HA 0.390 nan 4.420 nan 0.000 0.274 371 P C -0.452 176.809 177.300 -0.065 0.000 1.237 371 P CA -0.091 62.971 63.100 -0.064 0.000 0.793 371 P CB 1.151 32.807 31.700 -0.074 0.000 0.977 372 T N -2.413 112.088 114.554 -0.088 0.000 2.864 372 T HA 0.664 5.014 4.350 -0.001 0.000 0.299 372 T C -0.829 173.755 174.700 -0.193 0.000 1.166 372 T CA -0.636 61.398 62.100 -0.111 0.000 1.007 372 T CB 1.317 70.140 68.868 -0.075 0.000 1.219 372 T HN 0.327 nan 8.240 nan 0.000 0.506 373 T N 1.152 115.541 114.554 -0.275 0.000 2.971 373 T HA 0.553 4.902 4.350 -0.001 0.000 0.304 373 T C -0.686 173.633 174.700 -0.634 0.000 1.038 373 T CA -0.626 61.172 62.100 -0.503 0.000 1.007 373 T CB 1.597 70.069 68.868 -0.659 0.000 1.055 373 T HN 0.696 nan 8.240 nan 0.000 0.451 374 V N 3.663 123.259 119.914 -0.530 0.000 2.383 374 V HA 0.353 4.472 4.120 -0.001 0.000 0.275 374 V C -0.288 175.553 176.094 -0.421 0.000 1.036 374 V CA -0.518 61.571 62.300 -0.351 0.000 0.889 374 V CB 0.425 32.129 31.823 -0.200 0.000 0.985 374 V HN 0.895 nan 8.190 nan 0.000 0.459 375 F N 3.081 122.990 119.950 -0.067 0.000 2.871 375 F HA 0.175 4.701 4.527 -0.001 0.000 0.317 375 F C 1.569 177.188 175.800 -0.301 0.000 1.193 375 F CA -0.530 57.304 58.000 -0.276 0.000 1.311 375 F CB -0.362 38.405 39.000 -0.388 0.000 1.380 375 F HN 0.563 nan 8.300 nan 0.000 0.557 376 T N -2.209 112.347 114.554 0.003 0.000 2.748 376 T HA 0.058 4.407 4.350 -0.001 0.000 0.304 376 T C -1.492 173.304 174.700 0.161 0.000 1.041 376 T CA -1.411 60.743 62.100 0.090 0.000 1.033 376 T CB 0.681 69.602 68.868 0.089 0.000 0.995 376 T HN -0.022 nan 8.240 nan 0.000 0.536 377 P HA -0.045 nan 4.420 nan 0.000 0.216 377 P C 0.290 177.724 177.300 0.223 0.000 1.157 377 P CA 0.691 63.974 63.100 0.305 0.000 0.880 377 P CB -0.003 31.869 31.700 0.287 0.000 0.791 378 L N 0.137 121.358 121.223 -0.004 0.000 2.265 378 L HA 0.217 4.556 4.340 -0.001 0.000 0.289 378 L C 0.096 176.987 176.870 0.035 0.000 1.033 378 L CA -0.532 54.247 54.840 -0.102 0.000 0.814 378 L CB 0.310 41.977 42.059 -0.653 0.000 1.203 378 L HN -0.113 nan 8.230 nan 0.000 0.423 379 E N 3.433 123.712 120.200 0.131 0.000 2.366 379 E HA 0.119 4.468 4.350 -0.001 0.000 0.266 379 E C -1.512 175.167 176.600 0.131 0.000 1.051 379 E CA -0.117 56.339 56.400 0.092 0.000 0.884 379 E CB 0.964 30.741 29.700 0.128 0.000 1.006 379 E HN 0.436 nan 8.360 nan 0.000 0.417 380 Y N 0.929 121.170 120.300 -0.098 0.000 2.326 380 Y HA 0.506 5.055 4.550 -0.001 0.000 0.329 380 Y C -0.474 175.388 175.900 -0.063 0.000 0.973 380 Y CA -1.190 56.885 58.100 -0.043 0.000 1.162 380 Y CB 1.344 39.767 38.460 -0.061 0.000 1.147 380 Y HN 0.490 nan 8.280 nan 0.000 0.456 381 G N 3.511 112.265 108.800 -0.077 0.000 2.415 381 G HA2 0.755 4.715 3.960 -0.001 0.000 0.327 381 G HA3 0.755 4.715 3.960 -0.001 0.000 0.327 381 G C -1.663 173.096 174.900 -0.235 0.000 1.182 381 G CA -0.483 44.498 45.100 -0.198 0.000 0.924 381 G HN 0.980 nan 8.290 nan 0.000 0.470 382 A N 0.283 122.937 122.820 -0.277 0.000 2.515 382 A HA 0.760 5.079 4.320 -0.001 0.000 0.298 382 A C -1.068 176.464 177.584 -0.086 0.000 1.059 382 A CA -0.643 51.276 52.037 -0.197 0.000 0.698 382 A CB 1.737 20.599 19.000 -0.230 0.000 1.289 382 A HN 1.558 nan 8.150 nan 0.000 0.404 383 C N 1.326 120.583 119.300 -0.072 0.000 2.811 383 C HA 0.807 5.266 4.460 -0.001 0.000 0.352 383 C C 0.685 175.648 174.990 -0.044 0.000 1.098 383 C CA 1.248 60.237 59.018 -0.049 0.000 1.295 383 C CB 0.466 28.170 27.740 -0.059 0.000 1.758 383 C HN 2.893 nan 8.230 nan 0.000 0.488 384 G N 4.471 113.262 108.800 -0.015 0.000 2.499 384 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.232 384 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.232 384 G C -0.837 174.106 174.900 0.072 0.000 1.251 384 G CA -0.203 44.916 45.100 0.033 0.000 0.917 384 G HN 1.058 nan 8.290 nan 0.000 0.580 385 L N 1.513 122.815 121.223 0.132 0.000 2.397 385 L HA 0.481 4.820 4.340 -0.001 0.000 0.271 385 L C 1.678 178.729 176.870 0.301 0.000 1.148 385 L CA 0.120 55.064 54.840 0.173 0.000 0.825 385 L CB 1.279 43.451 42.059 0.187 0.000 1.117 385 L HN 0.998 nan 8.230 nan 0.000 0.456 386 S N 1.105 116.967 115.700 0.269 0.000 2.584 386 S HA -0.009 4.460 4.470 -0.001 0.000 0.270 386 S C 0.966 175.670 174.600 0.174 0.000 1.346 386 S CA -0.242 58.120 58.200 0.271 0.000 1.018 386 S CB 1.141 64.441 63.200 0.165 0.000 0.899 386 S HN 0.783 nan 8.310 nan 0.000 0.542 387 E N 1.101 121.349 120.200 0.080 0.000 2.058 387 E HA -0.242 4.108 4.350 -0.001 0.000 0.194 387 E C 1.647 178.280 176.600 0.054 0.000 0.997 387 E CA 1.887 58.322 56.400 0.059 0.000 0.801 387 E CB -0.277 29.419 29.700 -0.006 0.000 0.746 387 E HN 0.860 nan 8.360 nan 0.000 0.450 388 E N 0.533 120.754 120.200 0.035 0.000 2.058 388 E HA -0.214 4.135 4.350 -0.001 0.000 0.194 388 E C 2.037 178.652 176.600 0.025 0.000 0.997 388 E CA 1.531 57.946 56.400 0.025 0.000 0.801 388 E CB -0.079 29.633 29.700 0.019 0.000 0.746 388 E HN 0.074 nan 8.360 nan 0.000 0.450 389 K N 0.062 120.483 120.400 0.035 0.000 2.148 389 K HA -0.000 4.319 4.320 -0.001 0.000 0.204 389 K C 1.942 178.537 176.600 -0.008 0.000 1.050 389 K CA 0.983 57.275 56.287 0.008 0.000 0.942 389 K CB -0.137 32.374 32.500 0.018 0.000 0.724 389 K HN 0.163 nan 8.250 nan 0.000 0.446 390 A N 0.140 123.002 122.820 0.070 0.000 1.877 390 A HA -0.137 4.182 4.320 -0.001 0.000 0.216 390 A C 2.237 179.902 177.584 0.135 0.000 1.186 390 A CA 1.675 53.807 52.037 0.158 0.000 0.620 390 A CB -0.762 18.393 19.000 0.258 0.000 0.822 390 A HN 0.112 nan 8.150 nan 0.000 0.443 391 V N 0.010 119.978 119.914 0.090 0.000 2.295 391 V HA -0.289 3.831 4.120 -0.001 0.000 0.246 391 V C 2.561 178.665 176.094 0.017 0.000 1.049 391 V CA 2.428 64.768 62.300 0.066 0.000 1.024 391 V CB -0.657 31.188 31.823 0.036 0.000 0.648 391 V HN 0.787 nan 8.190 nan 0.000 0.447 392 E N -0.000 120.187 120.200 -0.021 0.000 2.085 392 E HA -0.300 4.049 4.350 -0.001 0.000 0.194 392 E C 2.311 178.840 176.600 -0.117 0.000 0.994 392 E CA 1.819 58.187 56.400 -0.054 0.000 0.801 392 E CB -0.080 29.589 29.700 -0.051 0.000 0.743 392 E HN 0.571 nan 8.360 nan 0.000 0.453 393 K N -0.806 119.450 120.400 -0.240 0.000 2.031 393 K HA -0.081 4.238 4.320 -0.001 0.000 0.205 393 K C 1.543 177.872 176.600 -0.451 0.000 1.049 393 K CA 1.391 57.394 56.287 -0.474 0.000 0.939 393 K CB -0.015 31.963 32.500 -0.869 0.000 0.717 393 K HN 0.135 nan 8.250 nan 0.000 0.438 394 F N -0.248 119.711 119.950 0.015 0.000 2.717 394 F HA 0.308 4.834 4.527 -0.000 0.000 0.297 394 F C 0.552 176.358 175.800 0.010 0.000 1.113 394 F CA 0.062 58.071 58.000 0.014 0.000 1.319 394 F CB 1.393 40.404 39.000 0.019 0.000 1.097 394 F HN 0.188 nan 8.300 nan 0.000 0.595 395 G N 1.682 110.578 108.800 0.161 0.000 3.209 395 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.686 395 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.686 395 G C 0.364 175.321 174.900 0.096 0.000 1.065 395 G CA -0.173 44.987 45.100 0.099 0.000 0.812 395 G HN 0.212 nan 8.290 nan 0.000 0.573 396 E N 0.812 121.046 120.200 0.056 0.000 2.147 396 E HA -0.216 4.133 4.350 -0.001 0.000 0.199 396 E C 1.833 178.449 176.600 0.026 0.000 1.005 396 E CA 2.000 58.422 56.400 0.037 0.000 0.810 396 E CB 0.038 29.748 29.700 0.017 0.000 0.736 396 E HN 0.804 nan 8.360 nan 0.000 0.460 397 E N -0.495 119.720 120.200 0.026 0.000 2.418 397 E HA -0.061 4.289 4.350 -0.001 0.000 0.197 397 E C 1.039 177.647 176.600 0.013 0.000 1.026 397 E CA 0.267 56.675 56.400 0.013 0.000 0.862 397 E CB 0.092 29.799 29.700 0.011 0.000 0.799 397 E HN 0.299 nan 8.360 nan 0.000 0.518 398 N N 0.245 118.965 118.700 0.033 0.000 2.236 398 N HA 0.064 4.803 4.740 -0.001 0.000 0.196 398 N C -0.370 175.140 175.510 -0.000 0.000 1.114 398 N CA 0.149 53.210 53.050 0.019 0.000 0.859 398 N CB 1.013 39.527 38.487 0.045 0.000 0.982 398 N HN 0.028 nan 8.380 nan 0.000 0.493 399 I N 1.300 121.881 120.570 0.019 0.000 2.354 399 I HA 0.189 4.358 4.170 -0.001 0.000 0.292 399 I C -0.206 175.893 176.117 -0.030 0.000 0.989 399 I CA -0.903 60.406 61.300 0.014 0.000 1.188 399 I CB 1.714 39.757 38.000 0.072 0.000 1.342 399 I HN -0.191 nan 8.210 nan 0.000 0.457 400 E N 4.870 125.041 120.200 -0.047 0.000 2.171 400 E HA 0.582 4.931 4.350 -0.001 0.000 0.271 400 E C -1.371 175.133 176.600 -0.160 0.000 0.916 400 E CA -0.404 55.906 56.400 -0.149 0.000 0.774 400 E CB 1.600 31.196 29.700 -0.172 0.000 1.128 400 E HN 0.254 nan 8.360 nan 0.000 0.403 401 V N 5.651 125.413 119.914 -0.252 0.000 2.313 401 V HA 0.307 4.427 4.120 -0.001 0.000 0.278 401 V C -0.885 175.036 176.094 -0.289 0.000 1.017 401 V CA -0.719 61.474 62.300 -0.177 0.000 0.823 401 V CB 0.069 31.786 31.823 -0.176 0.000 1.010 401 V HN 0.605 nan 8.190 nan 0.000 0.443 402 Y N 4.845 125.117 120.300 -0.047 0.000 2.308 402 Y HA 0.614 5.164 4.550 -0.001 0.000 0.329 402 Y C 0.727 176.623 175.900 -0.005 0.000 1.111 402 Y CA -0.247 57.841 58.100 -0.020 0.000 1.179 402 Y CB 0.929 39.387 38.460 -0.004 0.000 1.201 402 Y HN 0.835 nan 8.280 nan 0.000 0.483 403 H N -1.142 117.911 119.070 -0.028 0.000 2.990 403 H HA 0.842 5.397 4.556 -0.001 0.000 0.336 403 H C -1.481 173.710 175.328 -0.229 0.000 1.306 403 H CA -1.220 54.683 56.048 -0.241 0.000 1.118 403 H CB 2.184 31.775 29.762 -0.285 0.000 1.856 403 H HN 0.519 nan 8.280 nan 0.000 0.538 404 S N 0.539 115.957 115.700 -0.470 0.000 2.558 404 S HA 0.266 4.735 4.470 -0.001 0.000 0.277 404 S C -1.858 172.558 174.600 -0.308 0.000 1.143 404 S CA -0.720 57.272 58.200 -0.347 0.000 0.865 404 S CB 0.834 63.926 63.200 -0.181 0.000 1.102 404 S HN 0.560 nan 8.310 nan 0.000 0.454 405 Y N 2.603 122.882 120.300 -0.034 0.000 2.298 405 Y HA 0.618 5.167 4.550 -0.001 0.000 0.329 405 Y C 0.365 176.359 175.900 0.158 0.000 1.293 405 Y CA 0.063 58.194 58.100 0.051 0.000 1.388 405 Y CB 0.838 39.304 38.460 0.010 0.000 1.309 405 Y HN 0.666 nan 8.280 nan 0.000 0.544 406 F N -1.355 118.701 119.950 0.177 0.000 2.662 406 F HA 0.559 5.085 4.527 -0.001 0.000 0.312 406 F C -1.990 173.930 175.800 0.199 0.000 1.113 406 F CA -1.873 56.201 58.000 0.123 0.000 0.951 406 F CB 1.144 40.155 39.000 0.018 0.000 1.344 406 F HN 0.369 nan 8.300 nan 0.000 0.462 407 W N 4.140 125.502 121.300 0.102 0.000 2.453 407 W HA 0.653 5.312 4.660 -0.001 0.000 0.310 407 W C -2.931 173.574 176.519 -0.023 0.000 1.000 407 W CA -3.312 54.019 57.345 -0.024 0.000 1.367 407 W CB 1.054 30.546 29.460 0.053 0.000 1.269 407 W HN 0.347 nan 8.180 nan 0.000 0.418 408 P HA -0.132 nan 4.420 nan 0.000 0.262 408 P C 1.056 178.132 177.300 -0.373 0.000 1.182 408 P CA 0.082 62.974 63.100 -0.348 0.000 0.761 408 P CB 0.690 31.824 31.700 -0.944 0.000 0.795 409 L N 4.397 125.492 121.223 -0.214 0.000 2.081 409 L HA -0.218 4.122 4.340 -0.001 0.000 0.212 409 L C 1.695 178.492 176.870 -0.121 0.000 1.080 409 L CA 2.021 56.737 54.840 -0.207 0.000 0.754 409 L CB -1.015 40.975 42.059 -0.115 0.000 0.893 409 L HN 0.308 nan 8.230 nan 0.000 0.433 410 E N -1.422 118.776 120.200 -0.004 0.000 2.267 410 E HA -0.224 4.125 4.350 -0.001 0.000 0.197 410 E C 1.497 178.362 176.600 0.441 0.000 0.998 410 E CA 1.353 57.894 56.400 0.235 0.000 0.830 410 E CB -0.275 29.570 29.700 0.242 0.000 0.751 410 E HN 0.596 nan 8.360 nan 0.000 0.491 411 W N -0.126 121.123 121.300 -0.086 0.000 3.197 411 W HA 0.148 4.807 4.660 -0.001 0.000 0.274 411 W C 1.896 178.298 176.519 -0.196 0.000 1.297 411 W CA 0.836 58.154 57.345 -0.044 0.000 1.662 411 W CB -0.870 28.635 29.460 0.075 0.000 1.106 411 W HN 0.117 nan 8.180 nan 0.000 0.663 412 T N -2.700 111.655 114.554 -0.331 0.000 2.896 412 T HA -0.087 4.262 4.350 -0.001 0.000 0.263 412 T C 1.834 176.450 174.700 -0.140 0.000 1.050 412 T CA 0.981 62.747 62.100 -0.556 0.000 1.140 412 T CB -0.401 67.996 68.868 -0.785 0.000 0.877 412 T HN 0.040 nan 8.240 nan 0.000 0.457 413 I N 2.007 122.480 120.570 -0.162 0.000 2.233 413 I HA -0.007 4.162 4.170 -0.001 0.000 0.243 413 I C -0.559 175.479 176.117 -0.132 0.000 1.093 413 I CA 0.952 62.105 61.300 -0.245 0.000 1.380 413 I CB -1.147 36.462 38.000 -0.651 0.000 1.067 413 I HN 0.214 nan 8.210 nan 0.000 0.413 414 P HA -0.135 nan 4.420 nan 0.000 0.222 414 P C 0.524 177.888 177.300 0.106 0.000 1.147 414 P CA 0.922 64.061 63.100 0.065 0.000 0.790 414 P CB -0.022 31.752 31.700 0.124 0.000 0.780 415 S N -0.467 115.339 115.700 0.178 0.000 3.766 415 S HA -0.164 4.305 4.470 -0.001 0.000 0.416 415 S C -0.009 174.768 174.600 0.294 0.000 0.902 415 S CA 0.430 58.802 58.200 0.287 0.000 1.283 415 S CB -1.653 61.651 63.200 0.173 0.000 0.891 415 S HN 0.542 nan 8.310 nan 0.000 0.556 416 R N 0.520 121.268 120.500 0.414 0.000 2.707 416 R HA 0.671 5.011 4.340 -0.001 0.000 0.272 416 R C -0.884 175.685 176.300 0.450 0.000 1.011 416 R CA -0.387 55.885 56.100 0.285 0.000 0.893 416 R CB 0.589 30.953 30.300 0.107 0.000 1.233 416 R HN 0.076 nan 8.270 nan 0.000 0.464 417 D N 0.428 120.983 120.400 0.259 0.000 2.705 417 D HA -0.178 4.461 4.640 -0.001 0.000 0.240 417 D C -0.816 175.653 176.300 0.282 0.000 1.137 417 D CA 0.979 55.165 54.000 0.311 0.000 0.677 417 D CB -0.755 40.257 40.800 0.354 0.000 1.049 417 D HN 0.639 nan 8.370 nan 0.000 0.427 418 N N 1.173 119.730 118.700 -0.238 0.000 2.467 418 N HA 0.077 4.816 4.740 -0.001 0.000 0.262 418 N C 0.513 175.778 175.510 -0.408 0.000 1.234 418 N CA 0.042 52.601 53.050 -0.817 0.000 0.952 418 N CB 0.362 38.054 38.487 -1.325 0.000 1.158 418 N HN 0.058 nan 8.380 nan 0.000 0.463 419 N N 0.269 118.724 118.700 -0.408 0.000 2.716 419 N HA -0.211 4.529 4.740 -0.001 0.000 0.250 419 N C -0.210 175.006 175.510 -0.489 0.000 1.033 419 N CA 0.803 53.527 53.050 -0.543 0.000 0.727 419 N CB -0.534 37.567 38.487 -0.643 0.000 0.950 419 N HN 0.599 nan 8.380 nan 0.000 0.541 420 K N -0.882 119.451 120.400 -0.111 0.000 2.412 420 K HA 0.301 4.620 4.320 -0.001 0.000 0.201 420 K C 0.195 176.882 176.600 0.146 0.000 1.275 420 K CA 0.466 56.805 56.287 0.086 0.000 0.910 420 K CB 0.376 33.019 32.500 0.238 0.000 1.346 420 K HN 0.305 nan 8.250 nan 0.000 0.490 421 C N 1.804 121.066 119.300 -0.062 0.000 2.662 421 C HA 0.286 4.746 4.460 -0.001 0.000 0.420 421 C C -0.152 174.695 174.990 -0.239 0.000 1.314 421 C CA -0.201 58.570 59.018 -0.412 0.000 1.963 421 C CB -1.026 25.918 27.740 -1.326 0.000 2.686 421 C HN 0.399 nan 8.230 nan 0.000 0.609 422 Y N 0.906 121.087 120.300 -0.199 0.000 2.441 422 Y HA 0.584 5.133 4.550 -0.001 0.000 0.334 422 Y C -0.484 175.472 175.900 0.093 0.000 1.061 422 Y CA -0.506 57.550 58.100 -0.074 0.000 1.032 422 Y CB 0.970 39.333 38.460 -0.162 0.000 1.266 422 Y HN 0.857 nan 8.280 nan 0.000 0.441 423 A N 6.425 128.919 122.820 -0.542 0.000 2.343 423 A HA 0.810 5.130 4.320 -0.001 0.000 0.316 423 A C -1.524 175.572 177.584 -0.813 0.000 1.104 423 A CA -0.818 50.850 52.037 -0.615 0.000 0.768 423 A CB 1.034 19.404 19.000 -1.051 0.000 1.213 423 A HN 0.707 nan 8.150 nan 0.000 0.456 424 K N 1.813 121.955 120.400 -0.431 0.000 2.508 424 K HA 0.815 5.135 4.320 -0.001 0.000 0.260 424 K C -1.109 175.519 176.600 0.047 0.000 0.949 424 K CA -0.656 55.518 56.287 -0.188 0.000 0.834 424 K CB 1.954 34.392 32.500 -0.104 0.000 1.365 424 K HN 0.851 nan 8.250 nan 0.000 0.437 425 I N -0.792 119.850 120.570 0.120 0.000 2.689 425 I HA 0.580 4.750 4.170 -0.001 0.000 0.299 425 I C -1.107 175.130 176.117 0.201 0.000 1.059 425 I CA -1.418 59.995 61.300 0.189 0.000 1.055 425 I CB 1.781 39.912 38.000 0.218 0.000 1.243 425 I HN 0.594 nan 8.210 nan 0.000 0.425 426 I N 4.504 125.196 120.570 0.204 0.000 2.362 426 I HA 0.423 4.592 4.170 -0.001 0.000 0.289 426 I C -0.721 175.483 176.117 0.145 0.000 0.994 426 I CA -0.400 61.001 61.300 0.169 0.000 1.158 426 I CB 1.575 39.689 38.000 0.191 0.000 1.315 426 I HN 0.623 nan 8.210 nan 0.000 0.451 427 C N 4.259 123.634 119.300 0.124 0.000 2.456 427 C HA 0.418 4.877 4.460 -0.001 0.000 0.325 427 C C 0.271 175.246 174.990 -0.024 0.000 1.217 427 C CA -0.708 58.356 59.018 0.078 0.000 1.687 427 C CB 1.204 29.044 27.740 0.165 0.000 2.270 427 C HN 0.711 nan 8.230 nan 0.000 0.499 428 N N 1.076 119.692 118.700 -0.140 0.000 2.462 428 N HA 0.205 4.945 4.740 -0.001 0.000 0.242 428 N C 0.886 176.291 175.510 -0.176 0.000 1.010 428 N CA -0.029 52.837 53.050 -0.306 0.000 0.939 428 N CB 0.972 39.025 38.487 -0.723 0.000 1.127 428 N HN 0.651 nan 8.380 nan 0.000 0.509 429 T N 2.425 116.914 114.554 -0.108 0.000 2.867 429 T HA -0.056 4.294 4.350 -0.001 0.000 0.268 429 T C 1.268 175.932 174.700 -0.060 0.000 1.057 429 T CA 0.997 63.066 62.100 -0.053 0.000 1.136 429 T CB 0.065 68.917 68.868 -0.026 0.000 0.874 429 T HN 0.415 nan 8.240 nan 0.000 0.466 430 K N 1.337 121.686 120.400 -0.085 0.000 2.504 430 K HA 0.034 4.354 4.320 -0.001 0.000 0.195 430 K C 0.429 176.988 176.600 -0.067 0.000 1.036 430 K CA 0.605 56.856 56.287 -0.059 0.000 0.984 430 K CB -0.048 32.431 32.500 -0.035 0.000 0.788 430 K HN 0.304 nan 8.250 nan 0.000 0.488 431 D N 0.102 120.440 120.400 -0.102 0.000 2.861 431 D HA 0.137 4.777 4.640 -0.001 0.000 0.357 431 D C -0.997 175.268 176.300 -0.059 0.000 1.250 431 D CA -0.313 53.639 54.000 -0.081 0.000 0.802 431 D CB -0.661 40.070 40.800 -0.114 0.000 1.141 431 D HN 0.010 nan 8.370 nan 0.000 0.489 432 N N 1.806 120.483 118.700 -0.037 0.000 2.721 432 N HA -0.226 4.514 4.740 -0.001 0.000 0.249 432 N C -0.731 174.769 175.510 -0.017 0.000 1.072 432 N CA 0.866 53.903 53.050 -0.021 0.000 0.710 432 N CB -0.569 37.908 38.487 -0.016 0.000 0.993 432 N HN 0.448 nan 8.380 nan 0.000 0.547 433 E N -2.069 118.120 120.200 -0.019 0.000 2.360 433 E HA -0.310 4.039 4.350 -0.001 0.000 0.238 433 E C 0.136 176.733 176.600 -0.004 0.000 1.186 433 E CA 0.508 56.910 56.400 0.003 0.000 0.719 433 E CB -0.561 29.164 29.700 0.041 0.000 1.236 433 E HN 0.425 nan 8.360 nan 0.000 0.386 434 R N 0.315 120.793 120.500 -0.037 0.000 2.585 434 R HA 0.050 4.389 4.340 -0.001 0.000 0.275 434 R C -0.338 175.960 176.300 -0.003 0.000 1.018 434 R CA 0.269 56.352 56.100 -0.028 0.000 1.072 434 R CB 0.634 30.899 30.300 -0.058 0.000 0.953 434 R HN 0.023 nan 8.270 nan 0.000 0.419 435 V N 7.615 127.549 119.914 0.032 0.000 2.352 435 V HA 0.016 4.135 4.120 -0.001 0.000 0.253 435 V C 1.153 177.293 176.094 0.078 0.000 1.083 435 V CA 0.228 62.572 62.300 0.072 0.000 0.993 435 V CB 0.536 32.414 31.823 0.093 0.000 1.111 435 V HN 0.807 nan 8.190 nan 0.000 0.490 436 V N 1.927 121.896 119.914 0.091 0.000 3.506 436 V HA 0.544 4.663 4.120 -0.001 0.000 0.263 436 V C 0.835 177.021 176.094 0.154 0.000 1.203 436 V CA 0.850 63.227 62.300 0.128 0.000 1.133 436 V CB 0.039 31.972 31.823 0.183 0.000 0.802 436 V HN 0.718 nan 8.190 nan 0.000 0.459 437 G N -0.215 108.683 108.800 0.162 0.000 2.740 437 G HA2 0.586 4.546 3.960 -0.001 0.000 0.296 437 G HA3 0.586 4.546 3.960 -0.001 0.000 0.296 437 G C -1.924 173.068 174.900 0.153 0.000 1.439 437 G CA -0.535 44.664 45.100 0.165 0.000 1.066 437 G HN 0.213 nan 8.290 nan 0.000 0.527 438 F N 3.254 123.066 119.950 -0.230 0.000 2.518 438 F HA 0.687 5.213 4.527 -0.001 0.000 0.323 438 F C -0.781 174.745 175.800 -0.457 0.000 1.129 438 F CA -0.662 57.191 58.000 -0.243 0.000 0.920 438 F CB 1.712 40.541 39.000 -0.284 0.000 1.160 438 F HN 0.466 nan 8.300 nan 0.000 0.440 439 H N 5.249 124.020 119.070 -0.498 0.000 2.877 439 H HA 0.589 5.144 4.556 -0.001 0.000 0.347 439 H C -1.516 173.745 175.328 -0.112 0.000 1.042 439 H CA -0.780 55.206 56.048 -0.103 0.000 1.276 439 H CB 2.102 31.979 29.762 0.192 0.000 1.681 439 H HN 0.563 nan 8.280 nan 0.000 0.521 440 V N 4.725 124.769 119.914 0.216 0.000 2.686 440 V HA 0.362 4.481 4.120 -0.001 0.000 0.306 440 V C -1.448 174.895 176.094 0.415 0.000 1.065 440 V CA -0.719 61.770 62.300 0.315 0.000 0.894 440 V CB 2.401 34.438 31.823 0.358 0.000 1.004 440 V HN 0.517 nan 8.190 nan 0.000 0.424 441 L N 6.962 128.399 121.223 0.356 0.000 2.316 441 L HA 1.033 5.373 4.340 -0.001 0.000 0.280 441 L C 0.085 177.078 176.870 0.206 0.000 1.006 441 L CA 1.110 56.103 54.840 0.256 0.000 0.836 441 L CB 1.041 43.193 42.059 0.154 0.000 1.221 441 L HN 1.020 nan 8.230 nan 0.000 0.418 442 G N 4.222 113.151 108.800 0.216 0.000 2.320 442 G HA2 0.303 4.263 3.960 -0.001 0.000 0.296 442 G HA3 0.303 4.263 3.960 -0.001 0.000 0.296 442 G C -3.381 171.663 174.900 0.240 0.000 1.306 442 G CA -0.729 44.481 45.100 0.184 0.000 0.836 442 G HN 0.350 nan 8.290 nan 0.000 0.517 443 P HA 0.167 nan 4.420 nan 0.000 0.271 443 P C -0.187 177.259 177.300 0.242 0.000 1.218 443 P CA 0.075 63.342 63.100 0.277 0.000 0.780 443 P CB 0.340 32.208 31.700 0.280 0.000 0.901 444 N N 0.050 118.901 118.700 0.251 0.000 2.716 444 N HA -0.241 4.498 4.740 -0.001 0.000 0.250 444 N C 1.123 176.755 175.510 0.203 0.000 1.033 444 N CA 0.958 54.142 53.050 0.224 0.000 0.727 444 N CB -1.660 36.931 38.487 0.173 0.000 0.950 444 N HN 0.596 nan 8.380 nan 0.000 0.541 445 A N 0.153 123.091 122.820 0.196 0.000 1.940 445 A HA -0.037 4.282 4.320 -0.001 0.000 0.219 445 A C 2.305 179.961 177.584 0.120 0.000 1.176 445 A CA 2.173 54.311 52.037 0.168 0.000 0.631 445 A CB -0.759 18.315 19.000 0.123 0.000 0.814 445 A HN 0.545 nan 8.150 nan 0.000 0.446 446 G N -0.562 108.292 108.800 0.089 0.000 2.402 446 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.216 446 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.216 446 G C 1.360 176.319 174.900 0.097 0.000 1.162 446 G CA 0.881 46.028 45.100 0.078 0.000 0.777 446 G HN 0.515 nan 8.290 nan 0.000 0.539 447 E N 0.534 120.808 120.200 0.123 0.000 2.106 447 E HA -0.074 4.275 4.350 -0.001 0.000 0.192 447 E C 2.815 179.464 176.600 0.082 0.000 0.984 447 E CA 0.706 57.160 56.400 0.089 0.000 0.806 447 E CB -0.453 29.303 29.700 0.093 0.000 0.750 447 E HN 0.348 nan 8.360 nan 0.000 0.458 448 V N 1.275 121.269 119.914 0.134 0.000 2.358 448 V HA -0.177 3.942 4.120 -0.001 0.000 0.246 448 V C 2.304 178.513 176.094 0.190 0.000 1.047 448 V CA 1.988 64.403 62.300 0.191 0.000 1.035 448 V CB -0.714 31.268 31.823 0.266 0.000 0.658 448 V HN 0.253 nan 8.190 nan 0.000 0.452 449 T N -0.853 113.783 114.554 0.137 0.000 2.951 449 T HA -0.195 4.154 4.350 -0.001 0.000 0.268 449 T C 1.882 176.514 174.700 -0.114 0.000 1.073 449 T CA 1.413 63.523 62.100 0.016 0.000 1.134 449 T CB -0.147 68.763 68.868 0.068 0.000 0.884 449 T HN 0.411 nan 8.240 nan 0.000 0.479 450 Q N 1.395 121.155 119.800 -0.066 0.000 2.030 450 Q HA -0.056 4.283 4.340 -0.001 0.000 0.204 450 Q C 2.433 178.335 176.000 -0.165 0.000 0.986 450 Q CA 2.225 57.971 55.803 -0.096 0.000 0.843 450 Q CB -1.013 27.689 28.738 -0.060 0.000 0.904 450 Q HN 0.492 nan 8.270 nan 0.000 0.420 451 G N -1.266 107.405 108.800 -0.215 0.000 2.408 451 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.217 451 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.217 451 G C 1.011 175.637 174.900 -0.458 0.000 1.150 451 G CA 0.654 45.557 45.100 -0.329 0.000 0.776 451 G HN 0.393 nan 8.290 nan 0.000 0.542 452 F N 1.721 121.391 119.950 -0.467 0.000 2.293 452 F HA 0.111 4.637 4.527 -0.001 0.000 0.300 452 F C 2.925 178.406 175.800 -0.531 0.000 1.086 452 F CA 0.635 58.240 58.000 -0.659 0.000 1.375 452 F CB -0.182 37.980 39.000 -1.397 0.000 1.045 452 F HN 0.232 nan 8.300 nan 0.000 0.516 453 A N 0.147 122.797 122.820 -0.283 0.000 1.902 453 A HA -0.085 4.234 4.320 -0.001 0.000 0.217 453 A C 2.447 179.942 177.584 -0.148 0.000 1.181 453 A CA 1.720 53.642 52.037 -0.192 0.000 0.623 453 A CB -1.213 17.695 19.000 -0.153 0.000 0.818 453 A HN 0.297 nan 8.150 nan 0.000 0.443 454 A N -0.163 122.559 122.820 -0.163 0.000 1.898 454 A HA 0.186 4.505 4.320 -0.001 0.000 0.216 454 A C 2.495 180.002 177.584 -0.127 0.000 1.181 454 A CA 1.974 53.930 52.037 -0.135 0.000 0.620 454 A CB -0.987 17.925 19.000 -0.147 0.000 0.819 454 A HN 1.057 nan 8.150 nan 0.000 0.442 455 A N -0.087 122.637 122.820 -0.160 0.000 1.933 455 A HA -0.062 4.257 4.320 -0.001 0.000 0.218 455 A C 2.123 179.667 177.584 -0.066 0.000 1.175 455 A CA 1.501 53.467 52.037 -0.117 0.000 0.628 455 A CB -0.561 18.364 19.000 -0.124 0.000 0.814 455 A HN 0.470 nan 8.150 nan 0.000 0.444 456 L N -0.950 120.232 121.223 -0.068 0.000 2.083 456 L HA -0.157 4.183 4.340 -0.001 0.000 0.209 456 L C 2.426 179.278 176.870 -0.031 0.000 1.083 456 L CA 1.275 56.093 54.840 -0.036 0.000 0.752 456 L CB -0.688 41.351 42.059 -0.033 0.000 0.899 456 L HN 0.286 nan 8.230 nan 0.000 0.433 457 K N 0.121 120.493 120.400 -0.046 0.000 2.211 457 K HA -0.147 4.173 4.320 -0.001 0.000 0.204 457 K C 1.815 178.396 176.600 -0.032 0.000 1.047 457 K CA 1.147 57.412 56.287 -0.037 0.000 0.935 457 K CB -0.480 31.991 32.500 -0.048 0.000 0.728 457 K HN 0.419 nan 8.250 nan 0.000 0.452 458 C N 0.174 119.451 119.300 -0.039 0.000 2.673 458 C HA 0.253 4.712 4.460 -0.001 0.000 0.274 458 C C 1.138 176.114 174.990 -0.022 0.000 1.276 458 C CA -0.051 58.947 59.018 -0.033 0.000 1.701 458 C CB -1.026 26.687 27.740 -0.045 0.000 1.836 458 C HN 0.625 nan 8.230 nan 0.000 0.596 459 G N 1.391 110.182 108.800 -0.015 0.000 2.256 459 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.272 459 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.272 459 G C -0.113 174.784 174.900 -0.005 0.000 1.076 459 G CA 0.100 45.197 45.100 -0.006 0.000 0.882 459 G HN 0.538 nan 8.290 nan 0.000 0.497 460 L N 0.879 122.100 121.223 -0.003 0.000 2.559 460 L HA 0.536 4.876 4.340 -0.001 0.000 0.282 460 L C 0.692 177.571 176.870 0.015 0.000 1.232 460 L CA 1.139 55.983 54.840 0.007 0.000 0.885 460 L CB 0.585 42.658 42.059 0.024 0.000 1.131 460 L HN 0.229 nan 8.230 nan 0.000 0.498 461 T N 3.741 118.302 114.554 0.010 0.000 2.932 461 T HA 0.255 4.605 4.350 -0.001 0.000 0.289 461 T C 0.715 175.417 174.700 0.004 0.000 1.039 461 T CA -0.534 61.569 62.100 0.005 0.000 1.024 461 T CB 1.913 70.778 68.868 -0.004 0.000 1.090 461 T HN 0.664 nan 8.240 nan 0.000 0.496 462 K N 1.889 122.283 120.400 -0.009 0.000 2.063 462 K HA 0.006 4.326 4.320 -0.001 0.000 0.208 462 K C 1.959 178.526 176.600 -0.055 0.000 1.048 462 K CA 1.733 57.988 56.287 -0.054 0.000 0.928 462 K CB -0.100 32.345 32.500 -0.092 0.000 0.713 462 K HN 0.413 nan 8.250 nan 0.000 0.442 463 K N 0.112 120.492 120.400 -0.033 0.000 2.044 463 K HA -0.218 4.102 4.320 -0.001 0.000 0.210 463 K C 2.323 178.912 176.600 -0.017 0.000 1.049 463 K CA 2.110 58.382 56.287 -0.025 0.000 0.927 463 K CB -0.100 32.391 32.500 -0.014 0.000 0.713 463 K HN 0.325 nan 8.250 nan 0.000 0.443 464 Q N 0.235 120.029 119.800 -0.010 0.000 2.079 464 Q HA -0.157 4.183 4.340 -0.001 0.000 0.200 464 Q C 2.128 178.132 176.000 0.008 0.000 0.974 464 Q CA 1.013 56.813 55.803 -0.004 0.000 0.840 464 Q CB -0.119 28.617 28.738 -0.004 0.000 0.898 464 Q HN 0.168 nan 8.270 nan 0.000 0.430 465 L N 1.425 122.660 121.223 0.021 0.000 2.017 465 L HA -0.187 4.152 4.340 -0.001 0.000 0.208 465 L C 1.316 178.206 176.870 0.035 0.000 1.073 465 L CA 1.953 56.828 54.840 0.058 0.000 0.745 465 L CB -0.484 41.623 42.059 0.081 0.000 0.894 465 L HN 0.099 nan 8.230 nan 0.000 0.432 466 D N -0.975 119.419 120.400 -0.010 0.000 2.218 466 D HA -0.143 4.496 4.640 -0.001 0.000 0.204 466 D C 2.375 178.670 176.300 -0.009 0.000 0.976 466 D CA 1.375 55.361 54.000 -0.023 0.000 0.853 466 D CB -0.109 40.660 40.800 -0.051 0.000 0.939 466 D HN 0.584 nan 8.370 nan 0.000 0.481 467 S N -0.952 114.745 115.700 -0.005 0.000 2.470 467 S HA -0.008 4.461 4.470 -0.001 0.000 0.225 467 S C 1.056 175.655 174.600 -0.001 0.000 1.006 467 S CA 0.025 58.222 58.200 -0.005 0.000 0.934 467 S CB -0.257 62.938 63.200 -0.008 0.000 0.778 467 S HN -0.048 nan 8.310 nan 0.000 0.517 468 T N 4.591 119.150 114.554 0.008 0.000 2.870 468 T HA 0.339 4.689 4.350 -0.001 0.000 0.300 468 T C 0.113 174.824 174.700 0.018 0.000 0.989 468 T CA -0.242 61.864 62.100 0.010 0.000 1.139 468 T CB 0.298 69.180 68.868 0.023 0.000 0.920 468 T HN 0.182 nan 8.240 nan 0.000 0.537 469 I N 2.735 123.310 120.570 0.009 0.000 2.472 469 I HA 0.315 4.485 4.170 -0.001 0.000 0.290 469 I C 1.324 177.457 176.117 0.026 0.000 1.016 469 I CA -0.492 60.816 61.300 0.013 0.000 1.348 469 I CB 0.595 38.598 38.000 0.004 0.000 1.417 469 I HN 0.678 nan 8.210 nan 0.000 0.521 470 G N 5.888 114.709 108.800 0.034 0.000 2.569 470 G HA2 0.481 4.441 3.960 -0.001 0.000 0.249 470 G HA3 0.481 4.441 3.960 -0.001 0.000 0.249 470 G C -0.232 174.702 174.900 0.057 0.000 1.216 470 G CA -0.537 44.596 45.100 0.055 0.000 0.845 470 G HN 0.528 nan 8.290 nan 0.000 0.568 471 I N 0.492 121.104 120.570 0.070 0.000 2.336 471 I HA 0.233 4.402 4.170 -0.001 0.000 0.292 471 I C -0.277 175.915 176.117 0.126 0.000 0.991 471 I CA -0.639 60.705 61.300 0.074 0.000 1.227 471 I CB 1.555 39.581 38.000 0.043 0.000 1.366 471 I HN 0.495 nan 8.210 nan 0.000 0.466 472 H N 7.475 126.549 119.070 0.007 0.000 2.495 472 H HA 0.581 5.136 4.556 -0.001 0.000 0.348 472 H C -2.486 172.847 175.328 0.007 0.000 1.113 472 H CA -1.935 54.117 56.048 0.007 0.000 1.195 472 H CB 1.678 31.445 29.762 0.008 0.000 1.521 472 H HN 0.296 nan 8.280 nan 0.000 0.509 473 P HA 0.344 nan 4.420 nan 0.000 0.294 473 P C -1.428 175.793 177.300 -0.130 0.000 1.389 473 P CA -0.533 62.292 63.100 -0.458 0.000 0.875 473 P CB 1.175 32.500 31.700 -0.625 0.000 1.018 474 V N 2.807 122.709 119.914 -0.021 0.000 2.841 474 V HA 0.081 4.200 4.120 -0.001 0.000 0.310 474 V C 1.242 177.333 176.094 -0.005 0.000 1.090 474 V CA -0.475 61.824 62.300 -0.002 0.000 0.930 474 V CB 2.055 33.889 31.823 0.020 0.000 1.014 474 V HN 0.654 nan 8.190 nan 0.000 0.425 475 C N 2.942 122.232 119.300 -0.017 0.000 2.413 475 C HA -0.159 4.301 4.460 -0.001 0.000 0.276 475 C C 2.770 177.616 174.990 -0.240 0.000 1.236 475 C CA 1.569 60.513 59.018 -0.123 0.000 1.735 475 C CB -1.020 26.728 27.740 0.014 0.000 2.031 475 C HN 1.039 nan 8.230 nan 0.000 0.474 476 A N 1.121 123.930 122.820 -0.018 0.000 2.084 476 A HA -0.237 4.082 4.320 -0.001 0.000 0.221 476 A C 2.064 179.762 177.584 0.189 0.000 1.161 476 A CA 1.895 54.029 52.037 0.161 0.000 0.653 476 A CB -0.764 18.391 19.000 0.257 0.000 0.802 476 A HN 0.872 nan 8.150 nan 0.000 0.457 477 E N -0.148 120.091 120.200 0.065 0.000 2.333 477 E HA -0.105 4.244 4.350 -0.001 0.000 0.198 477 E C 1.536 178.138 176.600 0.002 0.000 1.007 477 E CA 1.049 57.495 56.400 0.077 0.000 0.845 477 E CB -0.520 29.224 29.700 0.073 0.000 0.766 477 E HN 0.299 nan 8.360 nan 0.000 0.507 478 V N 0.386 120.200 119.914 -0.167 0.000 2.469 478 V HA -0.239 3.880 4.120 -0.001 0.000 0.251 478 V C 1.524 177.433 176.094 -0.308 0.000 1.064 478 V CA 1.636 63.748 62.300 -0.313 0.000 1.066 478 V CB -0.615 30.827 31.823 -0.635 0.000 0.667 478 V HN 0.339 nan 8.190 nan 0.000 0.461 479 F N 1.049 120.918 119.950 -0.134 0.000 2.604 479 F HA -0.048 4.478 4.527 -0.001 0.000 0.298 479 F C 2.476 178.264 175.800 -0.020 0.000 1.131 479 F CA 1.446 59.381 58.000 -0.109 0.000 1.457 479 F CB -0.734 38.151 39.000 -0.192 0.000 1.095 479 F HN 0.398 nan 8.300 nan 0.000 0.574 480 T N -4.325 110.316 114.554 0.145 0.000 3.067 480 T HA -0.032 4.317 4.350 -0.001 0.000 0.261 480 T C 1.283 175.995 174.700 0.019 0.000 1.110 480 T CA 1.180 63.339 62.100 0.099 0.000 1.113 480 T CB -0.487 68.436 68.868 0.092 0.000 0.917 480 T HN 0.228 nan 8.240 nan 0.000 0.499 481 T N -0.309 114.234 114.554 -0.018 0.000 3.460 481 T HA 0.457 4.806 4.350 -0.001 0.000 0.304 481 T C 0.025 174.692 174.700 -0.054 0.000 0.991 481 T CA -0.670 61.408 62.100 -0.037 0.000 0.975 481 T CB -0.766 68.085 68.868 -0.028 0.000 1.196 481 T HN 0.301 nan 8.240 nan 0.000 0.490 482 L N 2.890 124.063 121.223 -0.083 0.000 2.500 482 L HA 0.346 4.686 4.340 -0.001 0.000 0.272 482 L C 1.362 178.216 176.870 -0.027 0.000 1.149 482 L CA -0.092 54.711 54.840 -0.062 0.000 0.897 482 L CB 0.675 42.688 42.059 -0.078 0.000 1.178 482 L HN 0.539 nan 8.230 nan 0.000 0.473 483 S N 0.978 116.736 115.700 0.096 0.000 2.649 483 S HA 0.176 4.645 4.470 -0.001 0.000 0.246 483 S C 0.179 174.944 174.600 0.275 0.000 1.057 483 S CA -0.429 57.871 58.200 0.167 0.000 1.051 483 S CB 0.510 63.758 63.200 0.080 0.000 1.018 483 S HN 0.224 nan 8.310 nan 0.000 0.569 484 V N 3.981 124.041 119.914 0.243 0.000 2.370 484 V HA 0.564 4.683 4.120 -0.001 0.000 0.279 484 V C 0.459 176.642 176.094 0.147 0.000 1.029 484 V CA -0.298 62.105 62.300 0.173 0.000 0.870 484 V CB 0.936 32.843 31.823 0.139 0.000 0.984 484 V HN 0.600 nan 8.190 nan 0.000 0.451 485 T N 1.447 115.977 114.554 -0.041 0.000 2.928 485 T HA 0.403 4.753 4.350 -0.001 0.000 0.284 485 T C 0.890 175.483 174.700 -0.178 0.000 1.008 485 T CA -0.769 61.172 62.100 -0.266 0.000 1.057 485 T CB 1.705 70.330 68.868 -0.406 0.000 1.018 485 T HN 0.533 nan 8.240 nan 0.000 0.493 486 K N 0.425 120.626 120.400 -0.331 0.000 2.063 486 K HA -0.148 4.171 4.320 -0.001 0.000 0.208 486 K C 2.482 179.001 176.600 -0.135 0.000 1.048 486 K CA 1.393 57.515 56.287 -0.275 0.000 0.928 486 K CB -0.183 32.118 32.500 -0.333 0.000 0.713 486 K HN 0.687 nan 8.250 nan 0.000 0.442 487 R N 1.308 121.721 120.500 -0.145 0.000 2.105 487 R HA -0.149 4.190 4.340 -0.001 0.000 0.239 487 R C 2.213 178.476 176.300 -0.061 0.000 1.135 487 R CA 2.119 58.163 56.100 -0.094 0.000 0.967 487 R CB -0.276 29.964 30.300 -0.099 0.000 0.861 487 R HN 0.209 nan 8.270 nan 0.000 0.442 488 S N -0.983 114.680 115.700 -0.062 0.000 2.442 488 S HA -0.002 4.467 4.470 -0.001 0.000 0.236 488 S C 1.661 176.259 174.600 -0.004 0.000 1.007 488 S CA 0.969 59.153 58.200 -0.026 0.000 0.965 488 S CB -0.348 62.843 63.200 -0.015 0.000 0.773 488 S HN 0.714 nan 8.310 nan 0.000 0.504 489 G N 1.059 109.861 108.800 0.002 0.000 2.220 489 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.269 489 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.269 489 G C 0.347 175.274 174.900 0.044 0.000 0.977 489 G CA 0.292 45.405 45.100 0.022 0.000 0.634 489 G HN 1.425 nan 8.290 nan 0.000 0.539 490 A N 0.156 123.006 122.820 0.050 0.000 2.466 490 A HA 0.646 4.965 4.320 -0.001 0.000 0.238 490 A C 1.045 178.675 177.584 0.077 0.000 1.074 490 A CA 1.205 53.275 52.037 0.056 0.000 0.774 490 A CB 0.439 19.470 19.000 0.052 0.000 1.015 490 A HN 1.931 nan 8.150 nan 0.000 0.498 491 S N 0.250 115.986 115.700 0.059 0.000 2.592 491 S HA 0.412 4.881 4.470 -0.001 0.000 0.271 491 S C 0.415 175.048 174.600 0.055 0.000 1.326 491 S CA 0.127 58.364 58.200 0.061 0.000 1.024 491 S CB 0.105 63.332 63.200 0.044 0.000 0.921 491 S HN 1.121 nan 8.310 nan 0.000 0.527 492 I N 1.331 121.936 120.570 0.058 0.000 3.966 492 I HA 0.399 4.569 4.170 -0.001 0.000 0.324 492 I C -0.176 176.037 176.117 0.161 0.000 1.517 492 I CA -0.599 60.730 61.300 0.048 0.000 1.117 492 I CB -0.084 37.832 38.000 -0.140 0.000 1.190 492 I HN 0.392 nan 8.210 nan 0.000 0.466 493 L N 0.000 121.287 121.223 0.107 0.000 2.949 493 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 493 L CA 0.000 54.859 54.840 0.032 0.000 0.813 493 L CB 0.000 42.039 42.059 -0.034 0.000 0.961 493 L HN 0.000 nan 8.230 nan 0.000 0.502