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_F 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 0.000 174.377 174.600 -0.372 0.000 1.055 10 S CA 0.000 58.025 58.200 -0.291 0.000 1.107 10 S CB 0.000 63.003 63.200 -0.328 0.000 0.593 11 Y N 2.794 123.083 120.300 -0.019 0.000 2.496 11 Y HA 0.497 5.047 4.550 0.000 0.000 0.331 11 Y C 1.166 177.062 175.900 -0.007 0.000 1.140 11 Y CA -0.680 57.428 58.100 0.014 0.000 1.166 11 Y CB 0.558 39.042 38.460 0.040 0.000 1.249 11 Y HN 0.207 nan 8.280 nan 0.000 0.479 12 D N 0.401 120.918 120.400 0.195 0.000 2.104 12 D HA -0.170 4.470 4.640 0.000 0.000 0.194 12 D C -0.439 175.724 176.300 -0.228 0.000 0.994 12 D CA 2.003 56.017 54.000 0.022 0.000 0.830 12 D CB -0.010 40.912 40.800 0.203 0.000 0.959 12 D HN 0.419 nan 8.370 nan 0.000 0.452 13 Y N -0.356 119.982 120.300 0.063 0.000 2.570 13 Y HA 0.176 4.726 4.550 0.000 0.000 0.345 13 Y C 0.893 176.767 175.900 -0.043 0.000 1.014 13 Y CA -1.003 57.083 58.100 -0.023 0.000 1.063 13 Y CB 1.676 40.080 38.460 -0.094 0.000 1.272 13 Y HN -0.336 nan 8.280 nan 0.000 0.477 14 D N 0.597 121.050 120.400 0.088 0.000 2.123 14 D HA -0.002 4.638 4.640 0.000 0.000 0.200 14 D C -0.464 175.827 176.300 -0.016 0.000 0.976 14 D CA 1.456 55.463 54.000 0.012 0.000 0.831 14 D CB 0.276 41.039 40.800 -0.063 0.000 0.974 14 D HN 0.193 nan 8.370 nan 0.000 0.469 15 L N 0.139 121.347 121.223 -0.025 0.000 2.464 15 L HA 0.442 4.783 4.340 0.000 0.000 0.266 15 L C -1.652 175.108 176.870 -0.184 0.000 0.965 15 L CA -0.531 54.256 54.840 -0.088 0.000 0.833 15 L CB 2.036 44.102 42.059 0.012 0.000 1.296 15 L HN -0.192 nan 8.230 nan 0.000 0.405 16 I N 5.927 126.296 120.570 -0.334 0.000 2.389 16 I HA 0.433 4.603 4.170 0.000 0.000 0.288 16 I C -0.565 175.487 176.117 -0.108 0.000 0.999 16 I CA -0.434 60.683 61.300 -0.305 0.000 1.129 16 I CB 1.586 39.360 38.000 -0.376 0.000 1.288 16 I HN 0.485 nan 8.210 nan 0.000 0.444 17 I N 7.174 127.698 120.570 -0.078 0.000 2.331 17 I HA 0.348 4.518 4.170 0.000 0.000 0.292 17 I C -0.178 175.935 176.117 -0.006 0.000 0.998 17 I CA -0.507 60.792 61.300 -0.001 0.000 1.267 17 I CB 1.265 39.261 38.000 -0.006 0.000 1.386 17 I HN 0.385 nan 8.210 nan 0.000 0.476 18 I N 6.119 126.704 120.570 0.024 0.000 2.291 18 I HA 0.524 4.694 4.170 0.000 0.000 0.290 18 I C 0.526 176.642 176.117 -0.001 0.000 1.050 18 I CA -0.133 61.152 61.300 -0.025 0.000 1.245 18 I CB 0.744 38.699 38.000 -0.076 0.000 1.405 18 I HN 0.837 nan 8.210 nan 0.000 0.478 19 G N 3.603 112.407 108.800 0.007 0.000 3.226 19 G HA2 0.050 4.010 3.960 0.000 0.000 0.685 19 G HA3 0.050 4.010 3.960 0.000 0.000 0.685 19 G C -0.101 174.810 174.900 0.019 0.000 1.207 19 G CA -0.557 44.563 45.100 0.033 0.000 0.877 19 G HN 0.914 nan 8.290 nan 0.000 0.585 20 G N 0.763 109.572 108.800 0.017 0.000 4.294 20 G HA2 0.687 4.647 3.960 0.000 0.000 0.301 20 G HA3 0.687 4.647 3.960 0.000 0.000 0.301 20 G C 0.814 175.643 174.900 -0.119 0.000 1.321 20 G CA 0.893 45.959 45.100 -0.057 0.000 1.190 20 G HN 1.248 nan 8.290 nan 0.000 0.600 21 G N 0.003 108.759 108.800 -0.072 0.000 2.531 21 G HA2 0.382 4.342 3.960 0.000 0.000 0.281 21 G HA3 0.382 4.342 3.960 0.000 0.000 0.281 21 G C 1.222 176.043 174.900 -0.131 0.000 1.382 21 G CA 0.313 45.361 45.100 -0.088 0.000 1.045 21 G HN 0.178 nan 8.290 nan 0.000 0.533 22 S N -0.231 115.415 115.700 -0.090 0.000 2.368 22 S HA -0.185 4.285 4.470 0.000 0.000 0.226 22 S C 2.496 177.076 174.600 -0.033 0.000 1.044 22 S CA 1.913 60.075 58.200 -0.063 0.000 1.062 22 S CB -0.814 62.382 63.200 -0.007 0.000 0.931 22 S HN 0.822 nan 8.310 nan 0.000 0.440 23 G N 1.023 109.821 108.800 -0.003 0.000 2.404 23 G HA2 -0.001 3.960 3.960 0.000 0.000 0.215 23 G HA3 -0.001 3.960 3.960 0.000 0.000 0.215 23 G C 1.479 176.386 174.900 0.011 0.000 1.174 23 G CA 0.912 46.023 45.100 0.020 0.000 0.780 23 G HN 0.579 nan 8.290 nan 0.000 0.537 24 G N 0.881 109.679 108.800 -0.003 0.000 2.446 24 G HA2 -0.167 3.793 3.960 0.000 0.000 0.217 24 G HA3 -0.167 3.793 3.960 0.000 0.000 0.217 24 G C 1.822 176.707 174.900 -0.026 0.000 1.168 24 G CA 0.830 45.927 45.100 -0.006 0.000 0.771 24 G HN 0.416 nan 8.290 nan 0.000 0.551 25 L N 0.543 121.722 121.223 -0.073 0.000 2.109 25 L HA 0.031 4.371 4.340 0.000 0.000 0.207 25 L C 3.389 180.253 176.870 -0.010 0.000 1.086 25 L CA 0.806 55.596 54.840 -0.083 0.000 0.760 25 L CB -0.369 41.553 42.059 -0.229 0.000 0.910 25 L HN 0.304 nan 8.230 nan 0.000 0.437 26 A N 0.242 123.064 122.820 0.003 0.000 1.902 26 A HA -0.166 4.154 4.320 0.000 0.000 0.217 26 A C 2.550 180.158 177.584 0.040 0.000 1.181 26 A CA 1.730 53.786 52.037 0.033 0.000 0.623 26 A CB -0.662 18.357 19.000 0.032 0.000 0.818 26 A HN 0.384 nan 8.150 nan 0.000 0.443 27 A N -0.115 122.727 122.820 0.037 0.000 1.877 27 A HA 0.157 4.477 4.320 0.000 0.000 0.216 27 A C 2.525 180.144 177.584 0.058 0.000 1.186 27 A CA 2.172 54.242 52.037 0.054 0.000 0.620 27 A CB -1.073 17.956 19.000 0.049 0.000 0.822 27 A HN 1.040 nan 8.150 nan 0.000 0.443 28 A N -0.398 122.440 122.820 0.030 0.000 1.858 28 A HA -0.132 4.188 4.320 0.000 0.000 0.216 28 A C 2.268 179.866 177.584 0.023 0.000 1.190 28 A CA 2.276 54.324 52.037 0.017 0.000 0.617 28 A CB -0.689 18.308 19.000 -0.005 0.000 0.827 28 A HN 0.365 nan 8.150 nan 0.000 0.443 29 K N -0.714 119.701 120.400 0.026 0.000 2.032 29 K HA -0.159 4.161 4.320 0.000 0.000 0.209 29 K C 2.155 178.764 176.600 0.014 0.000 1.048 29 K CA 1.784 58.082 56.287 0.020 0.000 0.927 29 K CB -0.563 31.955 32.500 0.031 0.000 0.712 29 K HN 0.742 nan 8.250 nan 0.000 0.441 30 E N 0.260 120.490 120.200 0.050 0.000 2.072 30 E HA -0.018 4.332 4.350 0.000 0.000 0.191 30 E C 1.942 178.645 176.600 0.171 0.000 0.985 30 E CA 1.351 57.806 56.400 0.092 0.000 0.801 30 E CB -0.423 29.363 29.700 0.143 0.000 0.750 30 E HN 0.354 nan 8.360 nan 0.000 0.452 31 A N 0.819 123.741 122.820 0.170 0.000 1.902 31 A HA -0.085 4.235 4.320 0.000 0.000 0.217 31 A C 2.436 180.039 177.584 0.032 0.000 1.181 31 A CA 2.066 54.201 52.037 0.163 0.000 0.623 31 A CB -1.053 17.991 19.000 0.075 0.000 0.818 31 A HN 0.376 nan 8.150 nan 0.000 0.443 32 A N -1.437 121.377 122.820 -0.011 0.000 1.972 32 A HA -0.121 4.200 4.320 0.000 0.000 0.219 32 A C 2.149 179.684 177.584 -0.081 0.000 1.169 32 A CA 1.928 53.938 52.037 -0.045 0.000 0.635 32 A CB -0.753 18.229 19.000 -0.030 0.000 0.810 32 A HN 0.489 nan 8.150 nan 0.000 0.446 33 Q N -1.712 118.002 119.800 -0.144 0.000 2.297 33 Q HA -0.154 4.186 4.340 0.000 0.000 0.208 33 Q C 0.717 176.450 176.000 -0.444 0.000 0.981 33 Q CA 1.548 57.159 55.803 -0.320 0.000 0.876 33 Q CB -0.640 27.829 28.738 -0.449 0.000 0.921 33 Q HN 0.952 nan 8.270 nan 0.000 0.446 34 Y N -1.362 118.922 120.300 -0.028 0.000 2.683 34 Y HA 0.445 4.995 4.550 0.000 0.000 0.297 34 Y C 1.604 177.464 175.900 -0.067 0.000 1.147 34 Y CA 0.027 58.111 58.100 -0.027 0.000 1.274 34 Y CB 0.360 38.830 38.460 0.018 0.000 1.143 34 Y HN 0.288 nan 8.280 nan 0.000 0.527 35 G N 0.247 109.047 108.800 0.001 0.000 2.153 35 G HA2 -0.266 3.694 3.960 0.000 0.000 0.252 35 G HA3 -0.266 3.694 3.960 0.000 0.000 0.252 35 G C 0.091 174.957 174.900 -0.056 0.000 0.994 35 G CA -0.211 44.876 45.100 -0.022 0.000 0.698 35 G HN 0.108 nan 8.290 nan 0.000 0.521 36 K N 0.263 120.594 120.400 -0.115 0.000 2.143 36 K HA 0.375 4.695 4.320 0.000 0.000 0.272 36 K C 0.401 176.933 176.600 -0.114 0.000 1.001 36 K CA -0.697 55.470 56.287 -0.199 0.000 0.915 36 K CB 1.352 33.538 32.500 -0.523 0.000 1.047 36 K HN 0.263 nan 8.250 nan 0.000 0.458 37 K N 2.310 122.670 120.400 -0.067 0.000 2.316 37 K HA 0.207 4.527 4.320 0.000 0.000 0.289 37 K C -0.880 175.810 176.600 0.150 0.000 1.070 37 K CA -0.278 56.027 56.287 0.030 0.000 0.928 37 K CB 0.445 32.928 32.500 -0.029 0.000 1.039 37 K HN 0.227 nan 8.250 nan 0.000 0.480 38 V N 5.521 125.527 119.914 0.152 0.000 2.735 38 V HA 0.455 4.575 4.120 0.000 0.000 0.310 38 V C -0.460 175.575 176.094 -0.098 0.000 1.061 38 V CA -0.990 61.331 62.300 0.035 0.000 0.913 38 V CB 1.800 33.606 31.823 -0.029 0.000 1.005 38 V HN 0.844 nan 8.190 nan 0.000 0.428 39 M N 4.467 123.819 119.600 -0.413 0.000 2.393 39 M HA 0.764 5.244 4.480 0.000 0.000 0.316 39 M C -1.858 174.261 176.300 -0.303 0.000 1.087 39 M CA -0.456 54.509 55.300 -0.558 0.000 0.937 39 M CB 2.016 33.869 32.600 -1.244 0.000 1.668 39 M HN 0.430 nan 8.290 nan 0.000 0.438 40 V N 6.071 125.891 119.914 -0.157 0.000 2.417 40 V HA 0.448 4.568 4.120 0.000 0.000 0.291 40 V C -0.505 175.587 176.094 -0.004 0.000 1.024 40 V CA -0.651 61.620 62.300 -0.048 0.000 0.861 40 V CB 1.464 33.303 31.823 0.026 0.000 0.985 40 V HN 0.802 nan 8.190 nan 0.000 0.436 41 L N 4.406 125.612 121.223 -0.028 0.000 2.265 41 L HA 0.608 4.948 4.340 0.000 0.000 0.289 41 L C -0.681 176.239 176.870 0.083 0.000 1.033 41 L CA -0.119 54.718 54.840 -0.005 0.000 0.814 41 L CB 1.399 43.422 42.059 -0.061 0.000 1.203 41 L HN 0.614 nan 8.230 nan 0.000 0.423 42 D N 2.952 123.468 120.400 0.193 0.000 2.646 42 D HA 0.568 5.208 4.640 0.000 0.000 0.245 42 D C -1.629 174.842 176.300 0.284 0.000 1.099 42 D CA -0.158 53.978 54.000 0.227 0.000 0.849 42 D CB 1.882 42.832 40.800 0.250 0.000 1.448 42 D HN 0.217 nan 8.370 nan 0.000 0.489 43 F N 3.421 123.429 119.950 0.097 0.000 2.605 43 F HA 0.387 4.914 4.527 0.000 0.000 0.320 43 F C -1.519 174.313 175.800 0.054 0.000 1.159 43 F CA -0.709 57.341 58.000 0.084 0.000 0.999 43 F CB 1.551 40.639 39.000 0.145 0.000 1.258 43 F HN 0.120 nan 8.300 nan 0.000 0.464 44 V N 4.667 124.278 119.914 -0.506 0.000 2.304 44 V HA 0.222 4.342 4.120 0.000 0.000 0.262 44 V C 0.164 175.959 176.094 -0.498 0.000 1.061 44 V CA -0.479 61.540 62.300 -0.468 0.000 0.872 44 V CB 0.708 32.023 31.823 -0.848 0.000 1.077 44 V HN 0.809 nan 8.190 nan 0.000 0.480 45 T N 4.737 119.264 114.554 -0.045 0.000 2.902 45 T HA 0.305 4.655 4.350 0.000 0.000 0.301 45 T C -2.062 172.544 174.700 -0.156 0.000 1.012 45 T CA -1.008 61.115 62.100 0.039 0.000 1.151 45 T CB 0.687 69.607 68.868 0.088 0.000 0.946 45 T HN 0.433 nan 8.240 nan 0.000 0.542 46 P HA 0.266 nan 4.420 nan 0.000 0.274 46 P C 0.132 177.383 177.300 -0.082 0.000 1.246 46 P CA -0.568 62.422 63.100 -0.184 0.000 0.795 46 P CB 0.183 31.813 31.700 -0.118 0.000 1.006 47 T N 2.903 117.431 114.554 -0.043 0.000 2.903 47 T HA 0.049 4.399 4.350 0.000 0.000 0.314 47 T C -1.334 173.391 174.700 0.042 0.000 1.078 47 T CA -0.460 61.681 62.100 0.070 0.000 1.114 47 T CB -0.463 68.489 68.868 0.139 0.000 0.987 47 T HN 0.349 nan 8.240 nan 0.000 0.548 48 P HA -0.102 nan 4.420 nan 0.000 0.218 48 P C 1.270 178.565 177.300 -0.009 0.000 1.154 48 P CA 1.140 64.227 63.100 -0.023 0.000 0.872 48 P CB 0.045 31.687 31.700 -0.097 0.000 0.790 49 L N -3.077 118.168 121.223 0.037 0.000 2.599 49 L HA 0.146 4.486 4.340 0.000 0.000 0.230 49 L C 1.454 178.349 176.870 0.042 0.000 1.141 49 L CA 0.800 55.666 54.840 0.043 0.000 0.877 49 L CB -0.740 41.368 42.059 0.081 0.000 1.009 49 L HN 0.199 nan 8.230 nan 0.000 0.447 50 G N -0.563 108.253 108.800 0.027 0.000 2.179 50 G HA2 -0.230 3.730 3.960 0.000 0.000 0.220 50 G HA3 -0.230 3.730 3.960 0.000 0.000 0.220 50 G C 0.317 175.219 174.900 0.003 0.000 0.990 50 G CA 0.076 45.181 45.100 0.008 0.000 0.646 50 G HN 0.252 nan 8.290 nan 0.000 0.517 51 T N 1.395 115.971 114.554 0.036 0.000 2.834 51 T HA 0.631 4.981 4.350 0.000 0.000 0.298 51 T C 0.631 175.275 174.700 -0.093 0.000 0.966 51 T CA 1.110 63.250 62.100 0.067 0.000 1.141 51 T CB 1.152 70.143 68.868 0.205 0.000 0.905 51 T HN 1.195 nan 8.240 nan 0.000 0.535 52 R N 1.490 121.923 120.500 -0.112 0.000 2.888 52 R HA 0.872 5.212 4.340 0.000 0.000 0.264 52 R C -1.489 174.750 176.300 -0.102 0.000 1.045 52 R CA -1.130 54.736 56.100 -0.390 0.000 0.962 52 R CB 1.087 31.200 30.300 -0.312 0.000 1.210 52 R HN 0.989 nan 8.270 nan 0.000 0.479 53 W N -1.587 119.682 121.300 -0.051 0.000 2.923 53 W HA 0.723 5.383 4.660 0.000 0.000 0.373 53 W C 0.200 176.677 176.519 -0.070 0.000 1.205 53 W CA -0.771 56.551 57.345 -0.038 0.000 1.180 53 W CB 0.436 29.890 29.460 -0.009 0.000 1.477 53 W HN 1.046 nan 8.180 nan 0.000 0.581 54 G N 0.394 109.353 108.800 0.264 0.000 2.510 54 G HA2 0.457 4.417 3.960 0.000 0.000 0.280 54 G HA3 0.457 4.417 3.960 0.000 0.000 0.280 54 G C -0.988 173.980 174.900 0.112 0.000 1.386 54 G CA -0.941 44.215 45.100 0.094 0.000 1.047 54 G HN 0.804 nan 8.290 nan 0.000 0.527 55 L N -0.303 120.899 121.223 -0.036 0.000 2.467 55 L HA 0.465 4.805 4.340 0.000 0.000 0.270 55 L C 1.419 178.222 176.870 -0.111 0.000 1.205 55 L CA 2.061 56.823 54.840 -0.129 0.000 0.828 55 L CB 0.988 42.832 42.059 -0.359 0.000 1.101 55 L HN 1.289 nan 8.230 nan 0.000 0.479 56 G N 1.027 109.684 108.800 -0.238 0.000 2.336 56 G HA2 0.246 4.206 3.960 0.000 0.000 0.194 56 G HA3 0.246 4.206 3.960 0.000 0.000 0.194 56 G C 0.877 175.649 174.900 -0.214 0.000 0.999 56 G CA 0.122 44.994 45.100 -0.380 0.000 0.669 56 G HN 1.926 nan 8.290 nan 0.000 0.482 57 G N -1.023 107.743 108.800 -0.056 0.000 2.632 57 G HA2 0.062 4.022 3.960 0.000 0.000 0.224 57 G HA3 0.062 4.022 3.960 0.000 0.000 0.224 57 G C 0.853 175.733 174.900 -0.034 0.000 1.341 57 G CA 0.835 45.945 45.100 0.017 0.000 0.880 57 G HN 1.211 nan 8.290 nan 0.000 0.566 58 T N -0.383 114.162 114.554 -0.014 0.000 2.737 58 T HA -0.171 4.179 4.350 0.000 0.000 0.265 58 T C 2.508 177.124 174.700 -0.140 0.000 1.038 58 T CA 2.636 64.687 62.100 -0.082 0.000 1.144 58 T CB -0.749 68.128 68.868 0.014 0.000 0.866 58 T HN 1.189 nan 8.240 nan 0.000 0.434 59 C N 1.561 120.818 119.300 -0.072 0.000 2.367 59 C HA -0.128 4.332 4.460 0.000 0.000 0.276 59 C C 2.753 177.672 174.990 -0.118 0.000 1.195 59 C CA 1.119 60.098 59.018 -0.065 0.000 1.756 59 C CB -1.271 26.459 27.740 -0.017 0.000 2.046 59 C HN 0.398 nan 8.230 nan 0.000 0.453 60 V N 1.837 121.691 119.914 -0.099 0.000 2.295 60 V HA -0.179 3.941 4.120 0.000 0.000 0.246 60 V C 2.344 178.333 176.094 -0.176 0.000 1.049 60 V CA 2.512 64.763 62.300 -0.081 0.000 1.024 60 V CB -0.767 31.058 31.823 0.004 0.000 0.648 60 V HN 0.604 nan 8.190 nan 0.000 0.447 61 N N -0.825 117.702 118.700 -0.289 0.000 2.402 61 N HA 0.050 4.790 4.740 0.000 0.000 0.174 61 N C 0.963 176.144 175.510 -0.548 0.000 1.027 61 N CA 0.951 53.738 53.050 -0.439 0.000 0.891 61 N CB 1.317 39.361 38.487 -0.739 0.000 1.016 61 N HN 0.364 nan 8.380 nan 0.000 0.439 62 V N -0.156 119.421 119.914 -0.561 0.000 3.399 62 V HA 0.330 4.450 4.120 0.000 0.000 0.357 62 V C 0.372 176.318 176.094 -0.248 0.000 1.480 62 V CA 0.005 62.041 62.300 -0.440 0.000 1.263 62 V CB 0.932 32.281 31.823 -0.790 0.000 1.103 62 V HN 0.293 nan 8.190 nan 0.000 0.533 63 G N -0.817 107.783 108.800 -0.335 0.000 3.418 63 G HA2 0.183 4.143 3.960 0.000 0.000 0.179 63 G HA3 0.183 4.143 3.960 0.000 0.000 0.179 63 G C 1.250 176.008 174.900 -0.237 0.000 1.212 63 G CA 0.765 45.758 45.100 -0.178 0.000 0.935 63 G HN 0.174 nan 8.290 nan 0.000 0.716 64 C N 0.995 120.239 119.300 -0.092 0.000 2.385 64 C HA -0.045 4.416 4.460 0.000 0.000 0.275 64 C C 2.712 177.590 174.990 -0.186 0.000 1.207 64 C CA 0.609 59.589 59.018 -0.064 0.000 1.760 64 C CB -1.421 26.325 27.740 0.010 0.000 2.051 64 C HN 0.406 nan 8.230 nan 0.000 0.467 65 I N 2.383 122.835 120.570 -0.196 0.000 2.113 65 I HA -0.095 4.075 4.170 0.000 0.000 0.238 65 I C 0.158 176.101 176.117 -0.291 0.000 1.070 65 I CA 1.961 63.149 61.300 -0.187 0.000 1.332 65 I CB -2.507 35.439 38.000 -0.090 0.000 1.044 65 I HN 0.247 nan 8.210 nan 0.000 0.402 66 P HA -0.183 nan 4.420 nan 0.000 0.219 66 P C 1.622 178.526 177.300 -0.661 0.000 1.150 66 P CA 1.512 64.273 63.100 -0.566 0.000 0.814 66 P CB -0.184 31.044 31.700 -0.786 0.000 0.787 67 K N 0.939 120.881 120.400 -0.763 0.000 2.009 67 K HA -0.209 4.111 4.320 0.000 0.000 0.210 67 K C 2.240 178.704 176.600 -0.226 0.000 1.049 67 K CA 1.896 58.012 56.287 -0.285 0.000 0.929 67 K CB -0.284 32.195 32.500 -0.035 0.000 0.714 67 K HN -0.176 nan 8.250 nan 0.000 0.440 68 K N 1.240 121.470 120.400 -0.284 0.000 2.097 68 K HA -0.054 4.266 4.320 0.000 0.000 0.205 68 K C 2.127 178.582 176.600 -0.242 0.000 1.050 68 K CA 1.205 57.300 56.287 -0.320 0.000 0.938 68 K CB -0.332 31.897 32.500 -0.453 0.000 0.718 68 K HN 0.249 nan 8.250 nan 0.000 0.442 69 L N -0.072 120.985 121.223 -0.277 0.000 2.046 69 L HA -0.138 4.202 4.340 0.000 0.000 0.208 69 L C 2.509 179.208 176.870 -0.286 0.000 1.077 69 L CA 1.425 56.109 54.840 -0.260 0.000 0.747 69 L CB -0.315 41.595 42.059 -0.248 0.000 0.896 69 L HN 0.260 nan 8.230 nan 0.000 0.432 70 M N -1.610 117.740 119.600 -0.418 0.000 2.254 70 M HA -0.185 4.295 4.480 0.000 0.000 0.265 70 M C 2.317 178.319 176.300 -0.497 0.000 1.066 70 M CA 1.237 56.163 55.300 -0.623 0.000 1.123 70 M CB -0.597 31.256 32.600 -1.245 0.000 1.388 70 M HN 0.267 nan 8.290 nan 0.000 0.425 71 H N 0.664 119.472 119.070 -0.436 0.000 2.352 71 H HA -0.221 4.335 4.556 0.000 0.000 0.299 71 H C 2.008 177.302 175.328 -0.057 0.000 1.097 71 H CA 2.287 58.295 56.048 -0.068 0.000 1.311 71 H CB -0.123 29.647 29.762 0.013 0.000 1.377 71 H HN 0.279 nan 8.280 nan 0.000 0.504 72 Q N 0.367 120.020 119.800 -0.245 0.000 2.119 72 Q HA -0.022 4.318 4.340 0.000 0.000 0.201 72 Q C 2.390 178.276 176.000 -0.190 0.000 0.972 72 Q CA 1.739 57.386 55.803 -0.261 0.000 0.847 72 Q CB -0.699 27.922 28.738 -0.196 0.000 0.903 72 Q HN 0.553 nan 8.270 nan 0.000 0.433 73 A N 0.483 123.204 122.820 -0.164 0.000 1.883 73 A HA -0.140 4.181 4.320 0.000 0.000 0.217 73 A C 2.322 179.850 177.584 -0.093 0.000 1.186 73 A CA 2.173 54.143 52.037 -0.113 0.000 0.624 73 A CB -1.340 17.590 19.000 -0.118 0.000 0.822 73 A HN 0.552 nan 8.150 nan 0.000 0.444 74 A N -0.397 122.382 122.820 -0.068 0.000 1.877 74 A HA -0.062 4.258 4.320 0.000 0.000 0.216 74 A C 2.202 179.757 177.584 -0.049 0.000 1.186 74 A CA 1.536 53.569 52.037 -0.007 0.000 0.620 74 A CB -0.687 18.392 19.000 0.133 0.000 0.822 74 A HN 0.477 nan 8.150 nan 0.000 0.443 75 L N -0.739 120.401 121.223 -0.138 0.000 2.042 75 L HA -0.201 4.139 4.340 0.000 0.000 0.210 75 L C 2.547 179.369 176.870 -0.080 0.000 1.076 75 L CA 1.168 55.930 54.840 -0.130 0.000 0.749 75 L CB -0.460 41.461 42.059 -0.230 0.000 0.893 75 L HN 0.389 nan 8.230 nan 0.000 0.432 76 L N -0.819 120.352 121.223 -0.088 0.000 2.201 76 L HA -0.110 4.231 4.340 0.000 0.000 0.212 76 L C 2.607 179.453 176.870 -0.041 0.000 1.105 76 L CA 0.970 55.769 54.840 -0.068 0.000 0.775 76 L CB -0.928 41.087 42.059 -0.074 0.000 0.913 76 L HN 0.310 nan 8.230 nan 0.000 0.440 77 G N -0.579 108.204 108.800 -0.028 0.000 2.446 77 G HA2 -0.365 3.595 3.960 0.000 0.000 0.217 77 G HA3 -0.365 3.595 3.960 0.000 0.000 0.217 77 G C 1.492 176.389 174.900 -0.006 0.000 1.168 77 G CA 0.872 45.969 45.100 -0.006 0.000 0.771 77 G HN 0.334 nan 8.290 nan 0.000 0.551 78 Q N 0.168 119.958 119.800 -0.016 0.000 2.119 78 Q HA 0.150 4.490 4.340 0.000 0.000 0.201 78 Q C 2.753 178.747 176.000 -0.009 0.000 0.972 78 Q CA 1.619 57.411 55.803 -0.019 0.000 0.847 78 Q CB -0.387 28.328 28.738 -0.038 0.000 0.903 78 Q HN 0.396 nan 8.270 nan 0.000 0.433 79 A N 0.397 123.206 122.820 -0.018 0.000 1.908 79 A HA -0.186 4.135 4.320 0.000 0.000 0.218 79 A C 2.020 179.588 177.584 -0.027 0.000 1.181 79 A CA 1.430 53.450 52.037 -0.027 0.000 0.627 79 A CB -0.823 18.138 19.000 -0.064 0.000 0.818 79 A HN 0.471 nan 8.150 nan 0.000 0.445 80 L N -0.844 120.363 121.223 -0.026 0.000 2.042 80 L HA -0.280 4.060 4.340 0.000 0.000 0.210 80 L C 2.958 179.847 176.870 0.031 0.000 1.076 80 L CA 1.733 56.567 54.840 -0.011 0.000 0.749 80 L CB -0.669 41.388 42.059 -0.002 0.000 0.893 80 L HN 0.512 nan 8.230 nan 0.000 0.432 81 Q N -0.209 119.612 119.800 0.035 0.000 2.046 81 Q HA -0.201 4.139 4.340 0.000 0.000 0.200 81 Q C 1.869 177.922 176.000 0.088 0.000 0.975 81 Q CA 1.545 57.380 55.803 0.053 0.000 0.836 81 Q CB -0.207 28.551 28.738 0.034 0.000 0.896 81 Q HN 0.475 nan 8.270 nan 0.000 0.428 82 D N 0.636 121.095 120.400 0.098 0.000 2.158 82 D HA -0.155 4.485 4.640 0.000 0.000 0.197 82 D C 2.132 178.621 176.300 0.315 0.000 0.995 82 D CA 1.707 55.823 54.000 0.193 0.000 0.846 82 D CB -0.363 40.558 40.800 0.201 0.000 0.941 82 D HN 0.251 nan 8.370 nan 0.000 0.456 83 S N 0.401 116.234 115.700 0.222 0.000 2.400 83 S HA -0.197 4.273 4.470 0.000 0.000 0.232 83 S C 1.935 176.778 174.600 0.405 0.000 1.025 83 S CA 0.745 59.122 58.200 0.294 0.000 0.993 83 S CB -0.305 62.932 63.200 0.063 0.000 0.808 83 S HN 0.191 nan 8.310 nan 0.000 0.478 84 R N 1.785 122.439 120.500 0.257 0.000 2.083 84 R HA -0.076 4.265 4.340 0.000 0.000 0.237 84 R C 2.040 178.441 176.300 0.168 0.000 1.137 84 R CA 2.008 58.229 56.100 0.201 0.000 0.951 84 R CB -0.601 29.775 30.300 0.126 0.000 0.851 84 R HN 0.578 nan 8.270 nan 0.000 0.434 85 N N -0.697 118.082 118.700 0.133 0.000 2.309 85 N HA -0.139 4.601 4.740 0.000 0.000 0.182 85 N C 0.927 176.408 175.510 -0.049 0.000 1.018 85 N CA 0.906 53.959 53.050 0.006 0.000 0.876 85 N CB -0.094 38.343 38.487 -0.082 0.000 0.972 85 N HN 0.257 nan 8.380 nan 0.000 0.434 86 Y N -0.433 119.945 120.300 0.128 0.000 2.583 86 Y HA 0.186 4.736 4.550 0.000 0.000 0.293 86 Y C 1.728 177.657 175.900 0.048 0.000 1.157 86 Y CA 0.529 58.708 58.100 0.132 0.000 1.315 86 Y CB 0.156 38.762 38.460 0.244 0.000 1.021 86 Y HN 0.156 nan 8.280 nan 0.000 0.536 87 G N -2.230 106.659 108.800 0.148 0.000 2.192 87 G HA2 -0.223 3.737 3.960 0.000 0.000 0.193 87 G HA3 -0.223 3.737 3.960 0.000 0.000 0.193 87 G C -0.378 174.449 174.900 -0.121 0.000 0.999 87 G CA -0.694 44.380 45.100 -0.045 0.000 0.659 87 G HN 0.205 nan 8.290 nan 0.000 0.503 88 W N 1.476 122.823 121.300 0.078 0.000 2.287 88 W HA 0.555 5.215 4.660 0.000 0.000 0.313 88 W C 0.553 177.099 176.519 0.044 0.000 1.267 88 W CA -0.580 56.798 57.345 0.054 0.000 1.201 88 W CB 1.016 30.508 29.460 0.053 0.000 1.196 88 W HN -0.038 nan 8.180 nan 0.000 0.536 89 K N 3.088 123.627 120.400 0.230 0.000 2.180 89 K HA 0.349 4.669 4.320 0.000 0.000 0.250 89 K C -0.472 176.215 176.600 0.145 0.000 1.135 89 K CA -0.532 55.839 56.287 0.140 0.000 1.037 89 K CB -0.478 32.072 32.500 0.083 0.000 1.624 89 K HN 0.341 nan 8.250 nan 0.000 0.382 90 V N 0.890 120.888 119.914 0.140 0.000 2.547 90 V HA 0.504 4.624 4.120 0.000 0.000 0.299 90 V C 0.813 176.952 176.094 0.076 0.000 1.040 90 V CA -1.204 61.159 62.300 0.105 0.000 0.913 90 V CB 1.364 33.247 31.823 0.101 0.000 0.992 90 V HN 0.799 nan 8.190 nan 0.000 0.449 91 E N 1.105 121.341 120.200 0.060 0.000 2.502 91 E HA 0.043 4.393 4.350 0.000 0.000 0.261 91 E C 1.286 177.915 176.600 0.047 0.000 0.974 91 E CA 0.743 57.172 56.400 0.048 0.000 0.936 91 E CB 0.296 30.021 29.700 0.041 0.000 0.926 91 E HN 0.833 nan 8.360 nan 0.000 0.459 92 E N 1.360 121.586 120.200 0.043 0.000 2.097 92 E HA -0.110 4.240 4.350 0.000 0.000 0.196 92 E C 0.620 177.245 176.600 0.041 0.000 1.000 92 E CA 1.863 58.288 56.400 0.042 0.000 0.804 92 E CB -0.084 29.637 29.700 0.035 0.000 0.740 92 E HN 0.752 nan 8.360 nan 0.000 0.454 93 T N 0.441 115.018 114.554 0.039 0.000 2.809 93 T HA 0.557 4.907 4.350 0.000 0.000 0.284 93 T C -0.888 173.838 174.700 0.044 0.000 0.992 93 T CA -0.504 61.620 62.100 0.041 0.000 0.957 93 T CB 1.706 70.597 68.868 0.039 0.000 0.942 93 T HN 0.083 nan 8.240 nan 0.000 0.439 94 V N 3.530 123.473 119.914 0.049 0.000 2.427 94 V HA 0.418 4.538 4.120 0.000 0.000 0.286 94 V C 0.511 176.647 176.094 0.070 0.000 1.034 94 V CA -0.863 61.468 62.300 0.052 0.000 0.893 94 V CB 1.482 33.334 31.823 0.047 0.000 0.982 94 V HN 0.679 nan 8.190 nan 0.000 0.452 95 K N 2.590 123.033 120.400 0.071 0.000 2.098 95 K HA 0.380 4.700 4.320 0.000 0.000 0.257 95 K C -0.310 176.367 176.600 0.129 0.000 0.999 95 K CA -0.660 55.684 56.287 0.095 0.000 0.924 95 K CB 1.264 33.807 32.500 0.072 0.000 1.028 95 K HN 0.864 nan 8.250 nan 0.000 0.466 96 H N 0.601 119.711 119.070 0.067 0.000 2.524 96 H HA 0.366 4.922 4.556 0.000 0.000 0.353 96 H C -1.467 173.924 175.328 0.105 0.000 1.136 96 H CA -0.550 55.544 56.048 0.077 0.000 1.193 96 H CB 1.845 31.663 29.762 0.094 0.000 1.558 96 H HN 0.701 nan 8.280 nan 0.000 0.515 97 D N 4.739 124.722 120.400 -0.696 0.000 2.414 97 D HA 0.027 4.667 4.640 0.000 0.000 0.232 97 D C 1.039 177.076 176.300 -0.438 0.000 1.070 97 D CA -0.659 53.120 54.000 -0.368 0.000 0.839 97 D CB 0.480 41.164 40.800 -0.193 0.000 1.079 97 D HN 0.551 nan 8.370 nan 0.000 0.521 98 W N 4.129 125.343 121.300 -0.144 0.000 2.333 98 W HA -0.200 4.460 4.660 0.000 0.000 0.316 98 W C 0.544 177.079 176.519 0.027 0.000 1.215 98 W CA 1.320 58.714 57.345 0.082 0.000 1.278 98 W CB 0.016 29.563 29.460 0.145 0.000 1.154 98 W HN 0.465 nan 8.180 nan 0.000 0.486 99 D N -0.169 120.334 120.400 0.172 0.000 2.149 99 D HA -0.174 4.466 4.640 0.000 0.000 0.198 99 D C 2.358 178.617 176.300 -0.069 0.000 0.990 99 D CA 1.785 55.832 54.000 0.078 0.000 0.839 99 D CB -0.759 40.132 40.800 0.151 0.000 0.948 99 D HN 0.006 nan 8.370 nan 0.000 0.460 100 R N 0.118 120.563 120.500 -0.092 0.000 2.075 100 R HA 0.017 4.357 4.340 0.000 0.000 0.232 100 R C 2.224 178.437 176.300 -0.146 0.000 1.126 100 R CA 1.221 57.258 56.100 -0.105 0.000 0.963 100 R CB -0.844 29.391 30.300 -0.108 0.000 0.858 100 R HN 0.367 nan 8.270 nan 0.000 0.435 101 M N -0.404 119.068 119.600 -0.212 0.000 2.086 101 M HA -0.101 4.379 4.480 0.000 0.000 0.261 101 M C 1.908 178.048 176.300 -0.265 0.000 1.067 101 M CA 1.936 57.111 55.300 -0.209 0.000 1.116 101 M CB -0.165 32.338 32.600 -0.162 0.000 1.348 101 M HN 0.237 nan 8.290 nan 0.000 0.407 102 I N 1.108 121.447 120.570 -0.384 0.000 2.226 102 I HA -0.217 3.953 4.170 0.000 0.000 0.245 102 I C 2.882 178.923 176.117 -0.127 0.000 1.100 102 I CA 1.942 63.066 61.300 -0.293 0.000 1.374 102 I CB -2.098 35.720 38.000 -0.302 0.000 1.057 102 I HN 0.443 nan 8.210 nan 0.000 0.413 103 E N 1.352 121.495 120.200 -0.095 0.000 2.070 103 E HA -0.222 4.128 4.350 0.000 0.000 0.197 103 E C 2.402 178.979 176.600 -0.039 0.000 1.004 103 E CA 1.925 58.300 56.400 -0.042 0.000 0.805 103 E CB -0.892 28.790 29.700 -0.030 0.000 0.744 103 E HN 0.579 nan 8.360 nan 0.000 0.451 104 A N 0.066 122.848 122.820 -0.063 0.000 1.902 104 A HA 0.061 4.381 4.320 0.000 0.000 0.217 104 A C 2.751 180.313 177.584 -0.037 0.000 1.181 104 A CA 1.768 53.774 52.037 -0.051 0.000 0.623 104 A CB -0.514 18.442 19.000 -0.074 0.000 0.818 104 A HN 0.448 nan 8.150 nan 0.000 0.443 105 V N -0.075 119.799 119.914 -0.067 0.000 2.261 105 V HA -0.246 3.874 4.120 0.000 0.000 0.246 105 V C 2.755 178.849 176.094 0.000 0.000 1.047 105 V CA 2.073 64.342 62.300 -0.053 0.000 1.015 105 V CB -0.687 31.074 31.823 -0.103 0.000 0.642 105 V HN 0.527 nan 8.190 nan 0.000 0.446 106 Q N -0.190 119.608 119.800 -0.003 0.000 2.170 106 Q HA -0.193 4.147 4.340 0.000 0.000 0.203 106 Q C 2.043 178.067 176.000 0.040 0.000 0.976 106 Q CA 1.681 57.500 55.803 0.026 0.000 0.858 106 Q CB -0.763 27.997 28.738 0.037 0.000 0.907 106 Q HN 0.721 nan 8.270 nan 0.000 0.433 107 N N -0.200 118.522 118.700 0.037 0.000 2.069 107 N HA -0.179 4.561 4.740 0.000 0.000 0.191 107 N C 1.782 177.327 175.510 0.059 0.000 1.031 107 N CA 1.213 54.289 53.050 0.044 0.000 0.852 107 N CB -0.198 38.307 38.487 0.030 0.000 1.018 107 N HN 0.367 nan 8.380 nan 0.000 0.423 108 H N 0.505 119.559 119.070 -0.027 0.000 2.353 108 H HA -0.032 4.525 4.556 0.000 0.000 0.300 108 H C 2.059 177.377 175.328 -0.016 0.000 1.090 108 H CA 1.256 57.285 56.048 -0.033 0.000 1.327 108 H CB -0.042 29.683 29.762 -0.063 0.000 1.383 108 H HN 0.217 nan 8.280 nan 0.000 0.508 109 I N 0.332 120.881 120.570 -0.035 0.000 2.163 109 I HA -0.234 3.936 4.170 0.000 0.000 0.243 109 I C 2.925 179.021 176.117 -0.034 0.000 1.085 109 I CA 1.208 62.470 61.300 -0.064 0.000 1.347 109 I CB -0.628 37.359 38.000 -0.022 0.000 1.044 109 I HN 0.317 nan 8.210 nan 0.000 0.408 110 G N 0.547 109.364 108.800 0.029 0.000 2.469 110 G HA2 -0.338 3.622 3.960 0.000 0.000 0.219 110 G HA3 -0.338 3.622 3.960 0.000 0.000 0.219 110 G C 1.789 176.794 174.900 0.174 0.000 1.150 110 G CA 1.280 46.456 45.100 0.127 0.000 0.763 110 G HN 0.524 nan 8.290 nan 0.000 0.561 111 S N 0.236 115.952 115.700 0.027 0.000 2.402 111 S HA 0.077 4.547 4.470 0.000 0.000 0.229 111 S C 2.350 176.920 174.600 -0.050 0.000 1.021 111 S CA 0.981 59.181 58.200 0.001 0.000 0.974 111 S CB -0.277 62.865 63.200 -0.098 0.000 0.800 111 S HN 0.309 nan 8.310 nan 0.000 0.484 112 L N 1.493 122.618 121.223 -0.163 0.000 2.072 112 L HA -0.032 4.308 4.340 0.000 0.000 0.205 112 L C 2.539 179.411 176.870 0.003 0.000 1.079 112 L CA 1.480 56.222 54.840 -0.163 0.000 0.752 112 L CB -0.956 41.004 42.059 -0.165 0.000 0.906 112 L HN 0.358 nan 8.230 nan 0.000 0.436 113 N N -0.681 118.048 118.700 0.048 0.000 2.037 113 N HA -0.258 4.482 4.740 0.000 0.000 0.196 113 N C 1.634 177.100 175.510 -0.073 0.000 1.034 113 N CA 1.958 55.014 53.050 0.009 0.000 0.861 113 N CB -0.261 38.190 38.487 -0.060 0.000 1.039 113 N HN 0.255 nan 8.380 nan 0.000 0.427 114 W N 0.922 122.208 121.300 -0.023 0.000 2.379 114 W HA 0.025 4.686 4.660 0.000 0.000 0.307 114 W C 2.650 179.130 176.519 -0.065 0.000 1.200 114 W CA 1.211 58.536 57.345 -0.033 0.000 1.297 114 W CB -0.912 28.524 29.460 -0.041 0.000 1.140 114 W HN 0.112 nan 8.180 nan 0.000 0.507 115 G N -0.431 108.429 108.800 0.100 0.000 2.513 115 G HA2 -0.356 3.605 3.960 0.000 0.000 0.219 115 G HA3 -0.356 3.605 3.960 0.000 0.000 0.219 115 G C 1.138 175.950 174.900 -0.147 0.000 1.160 115 G CA 1.483 46.530 45.100 -0.088 0.000 0.767 115 G HN 0.239 nan 8.290 nan 0.000 0.571 116 Y N 0.160 120.423 120.300 -0.062 0.000 2.163 116 Y HA 0.026 4.576 4.550 0.000 0.000 0.288 116 Y C 3.016 178.826 175.900 -0.150 0.000 1.136 116 Y CA 1.307 59.337 58.100 -0.116 0.000 1.147 116 Y CB -0.474 37.886 38.460 -0.167 0.000 0.987 116 Y HN 0.060 nan 8.280 nan 0.000 0.509 117 R N -0.272 120.206 120.500 -0.036 0.000 2.083 117 R HA -0.166 4.174 4.340 0.000 0.000 0.237 117 R C 2.135 178.446 176.300 0.018 0.000 1.137 117 R CA 1.808 57.841 56.100 -0.112 0.000 0.951 117 R CB -0.591 29.564 30.300 -0.243 0.000 0.851 117 R HN 0.171 nan 8.270 nan 0.000 0.434 118 V N 0.450 120.413 119.914 0.082 0.000 2.307 118 V HA -0.229 3.891 4.120 0.000 0.000 0.245 118 V C 2.366 178.486 176.094 0.044 0.000 1.045 118 V CA 1.876 64.231 62.300 0.091 0.000 1.024 118 V CB -0.757 31.130 31.823 0.106 0.000 0.651 118 V HN 0.513 nan 8.190 nan 0.000 0.449 119 A N 0.020 122.853 122.820 0.022 0.000 1.892 119 A HA -0.223 4.097 4.320 0.000 0.000 0.218 119 A C 2.222 179.822 177.584 0.026 0.000 1.188 119 A CA 2.162 54.207 52.037 0.013 0.000 0.631 119 A CB -0.640 18.365 19.000 0.009 0.000 0.822 119 A HN 0.514 nan 8.150 nan 0.000 0.447 120 L N -1.199 120.043 121.223 0.032 0.000 2.046 120 L HA -0.217 4.123 4.340 0.000 0.000 0.208 120 L C 3.350 180.243 176.870 0.038 0.000 1.077 120 L CA 1.515 56.371 54.840 0.028 0.000 0.747 120 L CB -0.840 41.226 42.059 0.011 0.000 0.896 120 L HN 0.554 nan 8.230 nan 0.000 0.432 121 R N 0.628 121.157 120.500 0.049 0.000 2.083 121 R HA -0.179 4.161 4.340 0.000 0.000 0.237 121 R C 2.275 178.597 176.300 0.037 0.000 1.137 121 R CA 2.024 58.156 56.100 0.054 0.000 0.951 121 R CB -1.949 28.393 30.300 0.069 0.000 0.851 121 R HN 0.541 nan 8.270 nan 0.000 0.434 122 E N 0.086 120.304 120.200 0.029 0.000 2.153 122 E HA -0.047 4.303 4.350 0.000 0.000 0.194 122 E C 2.213 178.816 176.600 0.006 0.000 0.988 122 E CA 1.925 58.334 56.400 0.015 0.000 0.811 122 E CB -0.775 28.930 29.700 0.008 0.000 0.746 122 E HN 0.854 nan 8.360 nan 0.000 0.466 123 K N -0.776 119.627 120.400 0.006 0.000 2.437 123 K HA 0.562 4.882 4.320 0.000 0.000 0.198 123 K C 1.452 178.053 176.600 0.001 0.000 1.024 123 K CA 1.352 57.636 56.287 -0.005 0.000 1.148 123 K CB -1.146 31.349 32.500 -0.009 0.000 0.860 123 K HN 1.375 nan 8.250 nan 0.000 0.515 124 K N -0.737 119.671 120.400 0.013 0.000 3.150 124 K HA -0.068 4.252 4.320 0.000 0.000 0.267 124 K C -0.016 176.603 176.600 0.032 0.000 1.028 124 K CA 1.078 57.378 56.287 0.022 0.000 0.753 124 K CB -3.029 29.477 32.500 0.011 0.000 1.288 124 K HN 0.710 nan 8.250 nan 0.000 0.473 125 V N 0.844 120.779 119.914 0.036 0.000 2.370 125 V HA 0.466 4.586 4.120 0.000 0.000 0.283 125 V C 0.867 176.991 176.094 0.051 0.000 1.023 125 V CA -0.966 61.356 62.300 0.036 0.000 0.857 125 V CB 2.016 33.850 31.823 0.018 0.000 0.985 125 V HN 0.430 nan 8.190 nan 0.000 0.443 126 V N 6.007 125.948 119.914 0.045 0.000 2.479 126 V HA 0.081 4.201 4.120 0.000 0.000 0.281 126 V C -0.358 175.741 176.094 0.009 0.000 1.031 126 V CA -0.038 62.276 62.300 0.023 0.000 1.038 126 V CB 0.298 32.127 31.823 0.011 0.000 0.981 126 V HN 0.750 nan 8.190 nan 0.000 0.478 127 Y N 5.115 125.370 120.300 -0.076 0.000 2.331 127 Y HA 0.662 5.212 4.550 0.000 0.000 0.338 127 Y C -0.251 175.605 175.900 -0.073 0.000 0.992 127 Y CA -1.461 56.590 58.100 -0.082 0.000 1.121 127 Y CB 1.539 39.965 38.460 -0.057 0.000 1.184 127 Y HN 0.684 nan 8.280 nan 0.000 0.469 128 E N 4.762 124.648 120.200 -0.524 0.000 2.216 128 E HA 0.215 4.565 4.350 0.000 0.000 0.260 128 E C -1.041 175.226 176.600 -0.555 0.000 0.880 128 E CA -0.328 55.763 56.400 -0.516 0.000 0.765 128 E CB 0.569 30.109 29.700 -0.267 0.000 1.174 128 E HN 0.749 nan 8.360 nan 0.000 0.417 129 N N 3.412 121.746 118.700 -0.611 0.000 2.971 129 N HA 0.273 5.014 4.740 0.000 0.000 0.294 129 N C -1.224 174.345 175.510 0.098 0.000 1.210 129 N CA 0.087 53.003 53.050 -0.223 0.000 1.157 129 N CB -0.008 38.381 38.487 -0.164 0.000 1.450 129 N HN 0.395 nan 8.380 nan 0.000 0.527 130 A N 2.270 125.164 122.820 0.124 0.000 2.539 130 A HA 0.273 4.593 4.320 0.000 0.000 0.296 130 A C -1.742 175.902 177.584 0.100 0.000 1.073 130 A CA -0.637 51.465 52.037 0.109 0.000 0.700 130 A CB 0.884 19.908 19.000 0.040 0.000 1.296 130 A HN 0.556 nan 8.150 nan 0.000 0.405 131 Y N 1.461 121.621 120.300 -0.234 0.000 2.365 131 Y HA 0.488 5.038 4.550 0.000 0.000 0.340 131 Y C 0.768 176.595 175.900 -0.121 0.000 1.016 131 Y CA 0.309 58.285 58.100 -0.206 0.000 1.196 131 Y CB 0.740 38.924 38.460 -0.460 0.000 1.167 131 Y HN 0.810 nan 8.280 nan 0.000 0.509 132 G N 3.325 111.818 108.800 -0.512 0.000 2.420 132 G HA2 0.450 4.410 3.960 0.000 0.000 0.284 132 G HA3 0.450 4.410 3.960 0.000 0.000 0.284 132 G C -1.462 173.108 174.900 -0.550 0.000 1.177 132 G CA -0.461 44.392 45.100 -0.412 0.000 0.841 132 G HN 0.554 nan 8.290 nan 0.000 0.527 133 Q N 1.470 121.062 119.800 -0.347 0.000 2.331 133 Q HA 0.360 4.700 4.340 0.000 0.000 0.249 133 Q C -1.313 174.578 176.000 -0.182 0.000 0.913 133 Q CA -0.866 54.801 55.803 -0.227 0.000 0.874 133 Q CB 0.693 29.406 28.738 -0.042 0.000 1.384 133 Q HN 0.575 nan 8.270 nan 0.000 0.427 134 F N 3.516 123.419 119.950 -0.077 0.000 2.572 134 F HA 0.243 4.770 4.527 0.000 0.000 0.370 134 F C 1.822 177.595 175.800 -0.045 0.000 1.103 134 F CA 0.467 58.411 58.000 -0.094 0.000 1.286 134 F CB 0.767 39.676 39.000 -0.153 0.000 1.105 134 F HN 0.783 nan 8.300 nan 0.000 0.583 135 I N -0.464 120.212 120.570 0.176 0.000 4.139 135 I HA 0.638 4.808 4.170 0.000 0.000 0.320 135 I C 0.750 176.927 176.117 0.100 0.000 1.290 135 I CA 0.277 61.643 61.300 0.109 0.000 1.253 135 I CB 0.338 38.382 38.000 0.074 0.000 1.122 135 I HN 0.516 nan 8.210 nan 0.000 0.421 136 G N 0.520 109.395 108.800 0.124 0.000 2.451 136 G HA2 0.385 4.345 3.960 0.000 0.000 0.292 136 G HA3 0.385 4.345 3.960 0.000 0.000 0.292 136 G C -3.217 171.750 174.900 0.111 0.000 1.427 136 G CA -1.040 44.115 45.100 0.091 0.000 0.792 136 G HN -0.233 nan 8.290 nan 0.000 0.498 137 P HA 0.053 nan 4.420 nan 0.000 0.257 137 P C 0.212 177.683 177.300 0.285 0.000 1.153 137 P CA 0.928 64.140 63.100 0.187 0.000 0.762 137 P CB -0.184 31.640 31.700 0.208 0.000 0.743 138 H N -1.266 117.901 119.070 0.163 0.000 3.179 138 H HA -0.249 4.307 4.556 0.000 0.000 0.250 138 H C 0.775 176.402 175.328 0.498 0.000 1.142 138 H CA 1.530 57.772 56.048 0.324 0.000 1.165 138 H CB -1.536 28.349 29.762 0.206 0.000 1.253 138 H HN 0.610 nan 8.280 nan 0.000 0.325 139 R N 0.740 121.487 120.500 0.412 0.000 2.686 139 R HA 0.845 5.185 4.340 0.000 0.000 0.286 139 R C -0.745 175.732 176.300 0.296 0.000 0.969 139 R CA -0.044 56.280 56.100 0.374 0.000 0.898 139 R CB 2.194 32.643 30.300 0.247 0.000 1.183 139 R HN 0.279 nan 8.270 nan 0.000 0.456 140 I N 0.934 121.659 120.570 0.258 0.000 2.722 140 I HA 0.554 4.724 4.170 0.000 0.000 0.295 140 I C -0.609 175.551 176.117 0.072 0.000 1.161 140 I CA -0.863 60.488 61.300 0.086 0.000 1.032 140 I CB 2.518 40.523 38.000 0.008 0.000 1.244 140 I HN 0.721 nan 8.210 nan 0.000 0.421 141 K N 5.419 125.818 120.400 -0.001 0.000 2.182 141 K HA 0.894 5.214 4.320 0.000 0.000 0.262 141 K C -1.031 175.561 176.600 -0.014 0.000 0.957 141 K CA -0.218 56.057 56.287 -0.019 0.000 0.842 141 K CB 1.605 34.093 32.500 -0.020 0.000 1.099 141 K HN 0.732 nan 8.250 nan 0.000 0.438 142 A N 2.651 125.478 122.820 0.011 0.000 2.291 142 A HA 0.593 4.913 4.320 0.000 0.000 0.311 142 A C -0.354 177.236 177.584 0.010 0.000 1.224 142 A CA -0.652 51.414 52.037 0.048 0.000 0.821 142 A CB 1.137 20.267 19.000 0.217 0.000 1.172 142 A HN 0.864 nan 8.150 nan 0.000 0.494 143 T N 3.888 118.431 114.554 -0.017 0.000 2.756 143 T HA 0.343 4.693 4.350 0.000 0.000 0.290 143 T C 0.497 175.115 174.700 -0.136 0.000 0.985 143 T CA -0.660 61.399 62.100 -0.068 0.000 0.955 143 T CB 0.360 69.176 68.868 -0.086 0.000 0.930 143 T HN 0.882 nan 8.240 nan 0.000 0.451 144 N N 3.272 121.930 118.700 -0.070 0.000 2.366 144 N HA 0.111 4.851 4.740 0.000 0.000 0.277 144 N C 1.066 176.563 175.510 -0.021 0.000 1.275 144 N CA -0.593 52.444 53.050 -0.022 0.000 0.964 144 N CB 0.300 38.804 38.487 0.028 0.000 1.167 144 N HN 0.328 nan 8.380 nan 0.000 0.568 145 N N -0.684 118.107 118.700 0.151 0.000 2.084 145 N HA -0.195 4.545 4.740 0.000 0.000 0.190 145 N C 1.259 176.816 175.510 0.079 0.000 1.030 145 N CA 2.249 55.429 53.050 0.215 0.000 0.849 145 N CB -0.316 38.319 38.487 0.247 0.000 1.012 145 N HN 0.766 nan 8.380 nan 0.000 0.423 146 K N 0.434 120.863 120.400 0.048 0.000 2.555 146 K HA 0.133 4.453 4.320 0.000 0.000 0.193 146 K C 1.323 177.922 176.600 -0.001 0.000 1.032 146 K CA 1.116 57.416 56.287 0.022 0.000 1.004 146 K CB -0.891 31.621 32.500 0.020 0.000 0.804 146 K HN 0.501 nan 8.250 nan 0.000 0.496 147 G N -2.621 106.168 108.800 -0.019 0.000 2.195 147 G HA2 0.106 4.066 3.960 0.000 0.000 0.224 147 G HA3 0.106 4.066 3.960 0.000 0.000 0.224 147 G C 0.540 175.417 174.900 -0.038 0.000 0.990 147 G CA 0.712 45.788 45.100 -0.041 0.000 0.639 147 G HN 1.240 nan 8.290 nan 0.000 0.514 148 K N 0.304 120.689 120.400 -0.025 0.000 2.298 148 K HA 0.787 5.107 4.320 0.000 0.000 0.280 148 K C 0.185 176.767 176.600 -0.031 0.000 1.032 148 K CA 1.161 57.434 56.287 -0.022 0.000 0.958 148 K CB 0.111 32.605 32.500 -0.010 0.000 0.978 148 K HN 1.807 nan 8.250 nan 0.000 0.472 149 E N 0.061 120.238 120.200 -0.039 0.000 2.214 149 E HA 0.682 5.032 4.350 0.000 0.000 0.274 149 E C 0.006 176.554 176.600 -0.086 0.000 0.977 149 E CA -0.347 56.021 56.400 -0.053 0.000 0.827 149 E CB 0.996 30.667 29.700 -0.050 0.000 1.130 149 E HN 1.230 nan 8.360 nan 0.000 0.394 150 K N 1.279 121.592 120.400 -0.144 0.000 2.498 150 K HA 0.751 5.071 4.320 0.000 0.000 0.254 150 K C -0.897 175.407 176.600 -0.493 0.000 0.933 150 K CA -0.594 55.499 56.287 -0.323 0.000 0.806 150 K CB 1.402 33.678 32.500 -0.373 0.000 1.301 150 K HN 0.670 nan 8.250 nan 0.000 0.432 151 I N 2.670 122.949 120.570 -0.485 0.000 2.359 151 I HA 0.572 4.742 4.170 0.000 0.000 0.294 151 I C -1.030 174.824 176.117 -0.438 0.000 0.987 151 I CA -0.967 60.136 61.300 -0.329 0.000 1.225 151 I CB 1.070 38.999 38.000 -0.118 0.000 1.366 151 I HN 0.770 nan 8.210 nan 0.000 0.466 152 Y N 3.373 123.753 120.300 0.134 0.000 2.545 152 Y HA 0.449 4.999 4.550 0.000 0.000 0.348 152 Y C 0.109 176.171 175.900 0.270 0.000 1.002 152 Y CA -0.904 57.311 58.100 0.191 0.000 1.039 152 Y CB 2.177 40.745 38.460 0.180 0.000 1.271 152 Y HN 0.492 nan 8.280 nan 0.000 0.467 153 S N 1.127 117.109 115.700 0.469 0.000 2.566 153 S HA 0.982 5.452 4.470 0.000 0.000 0.298 153 S C -0.913 173.937 174.600 0.416 0.000 1.083 153 S CA -0.618 57.876 58.200 0.491 0.000 0.978 153 S CB 2.041 65.503 63.200 0.435 0.000 1.073 153 S HN 1.028 nan 8.310 nan 0.000 0.491 154 A N 0.878 123.886 122.820 0.314 0.000 2.572 154 A HA 0.671 4.991 4.320 0.000 0.000 0.295 154 A C 0.365 177.739 177.584 -0.349 0.000 1.072 154 A CA -0.619 51.352 52.037 -0.110 0.000 0.691 154 A CB 1.271 19.862 19.000 -0.681 0.000 1.291 154 A HN 0.967 nan 8.150 nan 0.000 0.404 155 E N 0.162 120.019 120.200 -0.571 0.000 2.106 155 E HA -0.030 4.321 4.350 0.000 0.000 0.192 155 E C 0.518 177.043 176.600 -0.125 0.000 0.984 155 E CA 1.011 56.965 56.400 -0.742 0.000 0.806 155 E CB 0.150 29.620 29.700 -0.384 0.000 0.750 155 E HN 0.560 nan 8.360 nan 0.000 0.458 156 R N -1.295 119.171 120.500 -0.056 0.000 2.836 156 R HA 0.445 4.785 4.340 0.000 0.000 0.269 156 R C -1.473 174.810 176.300 -0.028 0.000 1.010 156 R CA -0.743 55.475 56.100 0.196 0.000 0.930 156 R CB 1.397 31.808 30.300 0.185 0.000 1.218 156 R HN -0.112 nan 8.270 nan 0.000 0.473 157 F N 0.910 121.034 119.950 0.291 0.000 2.576 157 F HA 0.470 4.997 4.527 0.000 0.000 0.313 157 F C -0.824 175.114 175.800 0.230 0.000 1.078 157 F CA -0.954 57.202 58.000 0.260 0.000 0.921 157 F CB 1.784 41.026 39.000 0.404 0.000 1.232 157 F HN 0.146 nan 8.300 nan 0.000 0.459 158 L N 4.471 125.890 121.223 0.327 0.000 2.343 158 L HA 0.614 4.954 4.340 0.000 0.000 0.278 158 L C -1.013 175.983 176.870 0.211 0.000 0.996 158 L CA -0.510 54.477 54.840 0.244 0.000 0.831 158 L CB 0.931 43.076 42.059 0.144 0.000 1.232 158 L HN 0.478 nan 8.230 nan 0.000 0.413 159 I N 5.723 126.415 120.570 0.203 0.000 2.363 159 I HA 0.429 4.599 4.170 0.000 0.000 0.292 159 I C 0.527 176.707 176.117 0.106 0.000 1.075 159 I CA -0.009 61.380 61.300 0.148 0.000 1.333 159 I CB 1.074 39.160 38.000 0.144 0.000 1.415 159 I HN 0.840 nan 8.210 nan 0.000 0.502 160 A N 4.005 126.874 122.820 0.080 0.000 3.129 160 A HA 0.264 4.584 4.320 0.000 0.000 0.282 160 A C 0.725 178.345 177.584 0.060 0.000 0.948 160 A CA -0.295 51.783 52.037 0.068 0.000 1.027 160 A CB 0.359 19.392 19.000 0.056 0.000 1.123 160 A HN 0.662 nan 8.150 nan 0.000 0.485 161 T N -0.377 114.216 114.554 0.066 0.000 3.044 161 T HA 0.426 4.776 4.350 0.000 0.000 0.250 161 T C 1.207 175.962 174.700 0.091 0.000 1.081 161 T CA 1.707 63.848 62.100 0.068 0.000 1.040 161 T CB -0.409 68.492 68.868 0.056 0.000 0.962 161 T HN 1.983 nan 8.240 nan 0.000 0.506 162 G N 1.469 110.322 108.800 0.088 0.000 2.645 162 G HA2 -0.178 3.782 3.960 0.000 0.000 0.246 162 G HA3 -0.178 3.782 3.960 0.000 0.000 0.246 162 G C -0.627 174.337 174.900 0.106 0.000 1.322 162 G CA 0.075 45.233 45.100 0.098 0.000 0.898 162 G HN 0.666 nan 8.290 nan 0.000 0.573 163 E N -0.567 119.702 120.200 0.115 0.000 2.423 163 E HA 0.852 5.202 4.350 0.000 0.000 0.269 163 E C -0.560 176.122 176.600 0.137 0.000 0.948 163 E CA -1.326 55.143 56.400 0.115 0.000 0.802 163 E CB 1.765 31.524 29.700 0.097 0.000 1.339 163 E HN 0.532 nan 8.360 nan 0.000 0.445 164 R N 0.062 120.641 120.500 0.132 0.000 2.771 164 R HA 0.462 4.802 4.340 0.000 0.000 0.274 164 R C -2.814 173.552 176.300 0.110 0.000 0.987 164 R CA -2.627 53.563 56.100 0.150 0.000 0.908 164 R CB 0.925 31.329 30.300 0.174 0.000 1.213 164 R HN 0.387 nan 8.270 nan 0.000 0.468 165 P HA 0.037 nan 4.420 nan 0.000 0.265 165 P C -0.304 176.991 177.300 -0.009 0.000 1.187 165 P CA 0.130 63.230 63.100 0.001 0.000 0.766 165 P CB 0.585 32.247 31.700 -0.063 0.000 0.820 166 R N 2.817 123.291 120.500 -0.042 0.000 2.404 166 R HA 0.357 4.697 4.340 0.000 0.000 0.291 166 R C -0.721 175.527 176.300 -0.087 0.000 1.025 166 R CA -0.445 55.660 56.100 0.009 0.000 0.991 166 R CB 0.356 30.672 30.300 0.027 0.000 1.053 166 R HN 0.398 nan 8.270 nan 0.000 0.479 167 Y N 2.446 122.766 120.300 0.034 0.000 2.419 167 Y HA 0.298 4.848 4.550 0.000 0.000 0.328 167 Y C 0.242 176.159 175.900 0.027 0.000 1.162 167 Y CA -0.631 57.486 58.100 0.029 0.000 1.174 167 Y CB 1.387 39.864 38.460 0.028 0.000 1.228 167 Y HN 0.379 nan 8.280 nan 0.000 0.473 168 L N 1.337 122.673 121.223 0.188 0.000 2.397 168 L HA 0.248 4.588 4.340 0.000 0.000 0.271 168 L C 1.295 178.243 176.870 0.131 0.000 1.148 168 L CA -0.099 54.816 54.840 0.125 0.000 0.825 168 L CB 0.530 42.648 42.059 0.098 0.000 1.117 168 L HN 0.954 nan 8.230 nan 0.000 0.456 169 G N 3.799 112.653 108.800 0.089 0.000 3.375 169 G HA2 0.225 4.185 3.960 0.000 0.000 0.247 169 G HA3 0.225 4.185 3.960 0.000 0.000 0.247 169 G C 0.256 175.191 174.900 0.057 0.000 1.343 169 G CA -0.191 44.950 45.100 0.067 0.000 1.368 169 G HN 0.546 nan 8.290 nan 0.000 0.549 170 I N -3.566 117.047 120.570 0.072 0.000 2.707 170 I HA 0.632 4.803 4.170 0.000 0.000 0.309 170 I C -2.654 173.502 176.117 0.065 0.000 1.001 170 I CA -3.410 57.930 61.300 0.066 0.000 1.129 170 I CB 1.861 39.906 38.000 0.076 0.000 1.308 170 I HN -0.265 nan 8.210 nan 0.000 0.466 171 P HA 0.221 nan 4.420 nan 0.000 0.271 171 P C 0.663 178.035 177.300 0.120 0.000 1.220 171 P CA 0.647 63.791 63.100 0.072 0.000 0.768 171 P CB 0.967 32.708 31.700 0.067 0.000 0.848 172 G N 3.264 112.147 108.800 0.140 0.000 2.213 172 G HA2 -0.272 3.688 3.960 0.000 0.000 0.236 172 G HA3 -0.272 3.688 3.960 0.000 0.000 0.236 172 G C 0.955 175.984 174.900 0.215 0.000 0.991 172 G CA 0.525 45.798 45.100 0.288 0.000 0.629 172 G HN 0.567 nan 8.290 nan 0.000 0.517 173 D N 1.311 121.793 120.400 0.137 0.000 2.087 173 D HA -0.118 4.523 4.640 0.000 0.000 0.192 173 D C 2.001 178.372 176.300 0.119 0.000 0.993 173 D CA 1.740 55.850 54.000 0.184 0.000 0.828 173 D CB -0.598 40.343 40.800 0.235 0.000 0.968 173 D HN 0.480 nan 8.370 nan 0.000 0.448 174 K N 0.315 120.619 120.400 -0.159 0.000 2.155 174 K HA -0.065 4.255 4.320 0.000 0.000 0.203 174 K C 2.072 178.548 176.600 -0.207 0.000 1.052 174 K CA 1.184 57.238 56.287 -0.389 0.000 0.948 174 K CB 0.020 32.240 32.500 -0.466 0.000 0.728 174 K HN 0.482 nan 8.250 nan 0.000 0.448 175 E N -0.263 119.783 120.200 -0.256 0.000 2.190 175 E HA -0.093 4.257 4.350 0.000 0.000 0.191 175 E C 1.177 177.497 176.600 -0.468 0.000 0.978 175 E CA 0.999 57.127 56.400 -0.455 0.000 0.839 175 E CB -0.117 29.152 29.700 -0.718 0.000 0.787 175 E HN 0.406 nan 8.360 nan 0.000 0.473 176 Y N 0.565 120.897 120.300 0.055 0.000 2.467 176 Y HA 0.254 4.804 4.550 0.000 0.000 0.259 176 Y C 1.227 177.180 175.900 0.088 0.000 1.084 176 Y CA -0.883 57.256 58.100 0.065 0.000 1.275 176 Y CB 0.332 38.821 38.460 0.050 0.000 1.208 176 Y HN -0.035 nan 8.280 nan 0.000 0.511 177 C N 2.081 121.522 119.300 0.235 0.000 2.351 177 C HA 0.691 5.151 4.460 0.000 0.000 0.359 177 C C 0.532 175.632 174.990 0.185 0.000 1.193 177 C CA -1.251 57.882 59.018 0.192 0.000 2.270 177 C CB 0.291 28.146 27.740 0.191 0.000 2.369 177 C HN 0.339 nan 8.230 nan 0.000 0.553 178 I N 0.342 120.974 120.570 0.102 0.000 2.910 178 I HA 0.844 5.014 4.170 0.000 0.000 0.310 178 I C 0.058 176.163 176.117 -0.020 0.000 1.043 178 I CA -0.151 61.191 61.300 0.070 0.000 1.053 178 I CB 1.880 39.900 38.000 0.034 0.000 1.242 178 I HN 0.703 nan 8.210 nan 0.000 0.452 179 S N 0.911 116.593 115.700 -0.030 0.000 2.751 179 S HA 0.367 4.838 4.470 0.000 0.000 0.310 179 S C 0.996 175.557 174.600 -0.066 0.000 1.128 179 S CA -0.024 58.117 58.200 -0.098 0.000 0.931 179 S CB 1.161 64.282 63.200 -0.132 0.000 1.177 179 S HN 0.920 nan 8.310 nan 0.000 0.530 180 S N 0.458 116.120 115.700 -0.064 0.000 2.392 180 S HA -0.237 4.233 4.470 0.000 0.000 0.232 180 S C 1.055 175.688 174.600 0.055 0.000 1.041 180 S CA 1.889 60.066 58.200 -0.037 0.000 1.026 180 S CB -1.162 62.092 63.200 0.090 0.000 0.845 180 S HN 0.713 nan 8.310 nan 0.000 0.465 181 D N 1.986 122.452 120.400 0.110 0.000 2.149 181 D HA -0.072 4.568 4.640 0.000 0.000 0.198 181 D C 1.634 178.081 176.300 0.244 0.000 0.990 181 D CA 1.494 55.617 54.000 0.205 0.000 0.839 181 D CB -0.403 40.642 40.800 0.408 0.000 0.948 181 D HN 0.577 nan 8.370 nan 0.000 0.460 182 D N -0.388 120.109 120.400 0.161 0.000 2.240 182 D HA -0.039 4.601 4.640 0.000 0.000 0.206 182 D C 2.179 178.513 176.300 0.058 0.000 0.963 182 D CA -0.032 54.051 54.000 0.138 0.000 0.863 182 D CB 0.078 40.942 40.800 0.107 0.000 0.973 182 D HN 0.109 nan 8.370 nan 0.000 0.501 183 L N 0.505 121.690 121.223 -0.063 0.000 2.042 183 L HA -0.148 4.192 4.340 0.000 0.000 0.210 183 L C 1.674 178.509 176.870 -0.058 0.000 1.076 183 L CA 1.550 56.299 54.840 -0.151 0.000 0.749 183 L CB -0.566 41.249 42.059 -0.408 0.000 0.893 183 L HN -0.144 nan 8.230 nan 0.000 0.432 184 F N -0.995 119.038 119.950 0.137 0.000 2.802 184 F HA 0.050 4.577 4.527 0.000 0.000 0.300 184 F C 2.030 177.857 175.800 0.044 0.000 1.168 184 F CA 0.683 58.725 58.000 0.070 0.000 1.433 184 F CB -0.665 38.326 39.000 -0.015 0.000 1.115 184 F HN 0.320 nan 8.300 nan 0.000 0.582 185 S N -1.193 114.634 115.700 0.212 0.000 2.846 185 S HA 0.258 4.728 4.470 0.000 0.000 0.249 185 S C 0.001 174.692 174.600 0.151 0.000 1.028 185 S CA -0.452 57.846 58.200 0.164 0.000 1.043 185 S CB -0.503 62.802 63.200 0.174 0.000 0.990 185 S HN 0.032 nan 8.310 nan 0.000 0.564 186 L N 4.273 125.607 121.223 0.185 0.000 2.513 186 L HA 0.314 4.654 4.340 0.000 0.000 0.272 186 L C -1.728 175.200 176.870 0.097 0.000 1.187 186 L CA -1.149 53.710 54.840 0.032 0.000 0.895 186 L CB 0.399 42.414 42.059 -0.072 0.000 1.147 186 L HN 0.041 nan 8.230 nan 0.000 0.483 187 P HA 0.027 nan 4.420 nan 0.000 0.253 187 P C -1.400 176.024 177.300 0.207 0.000 1.260 187 P CA 0.451 63.621 63.100 0.117 0.000 0.800 187 P CB -0.232 31.556 31.700 0.147 0.000 1.162 188 Y N -3.401 117.005 120.300 0.178 0.000 2.609 188 Y HA 0.492 5.042 4.550 0.000 0.000 0.336 188 Y C -0.562 175.092 175.900 -0.411 0.000 1.129 188 Y CA -2.127 55.986 58.100 0.020 0.000 1.040 188 Y CB 0.009 38.458 38.460 -0.019 0.000 1.310 188 Y HN -0.228 nan 8.280 nan 0.000 0.460 189 C N 5.072 124.199 119.300 -0.288 0.000 2.629 189 C HA 0.289 4.749 4.460 0.000 0.000 0.410 189 C C -0.769 173.977 174.990 -0.406 0.000 1.339 189 C CA -1.251 57.311 59.018 -0.759 0.000 1.810 189 C CB 0.061 27.689 27.740 -0.188 0.000 2.549 189 C HN 0.772 nan 8.230 nan 0.000 0.589 190 P HA 0.127 nan 4.420 nan 0.000 0.226 190 P C 1.021 178.251 177.300 -0.118 0.000 1.153 190 P CA 1.906 64.851 63.100 -0.259 0.000 0.777 190 P CB -0.147 31.336 31.700 -0.362 0.000 0.794 191 G N 0.694 109.416 108.800 -0.130 0.000 2.547 191 G HA2 -0.311 3.649 3.960 0.000 0.000 0.271 191 G HA3 -0.311 3.649 3.960 0.000 0.000 0.271 191 G C -0.330 174.553 174.900 -0.029 0.000 1.209 191 G CA -0.163 44.906 45.100 -0.052 0.000 0.959 191 G HN 0.473 nan 8.290 nan 0.000 0.563 192 K N 1.894 122.297 120.400 0.007 0.000 2.419 192 K HA 0.394 4.714 4.320 0.000 0.000 0.282 192 K C 0.531 177.177 176.600 0.078 0.000 1.056 192 K CA 0.995 57.312 56.287 0.052 0.000 1.035 192 K CB -0.311 32.231 32.500 0.070 0.000 0.921 192 K HN 0.927 nan 8.250 nan 0.000 0.472 193 T N 1.906 116.471 114.554 0.018 0.000 2.863 193 T HA 0.428 4.778 4.350 0.000 0.000 0.285 193 T C -0.805 173.732 174.700 -0.271 0.000 1.009 193 T CA -1.092 60.952 62.100 -0.093 0.000 0.989 193 T CB 1.366 70.152 68.868 -0.136 0.000 1.004 193 T HN 0.385 nan 8.240 nan 0.000 0.455 194 L N 3.621 124.525 121.223 -0.532 0.000 2.287 194 L HA 0.681 5.021 4.340 0.000 0.000 0.287 194 L C -0.862 175.770 176.870 -0.397 0.000 1.022 194 L CA -0.580 53.830 54.840 -0.716 0.000 0.814 194 L CB 1.405 42.703 42.059 -1.270 0.000 1.217 194 L HN 0.687 nan 8.230 nan 0.000 0.420 195 V N 6.135 125.855 119.914 -0.324 0.000 2.350 195 V HA 0.355 4.475 4.120 0.000 0.000 0.276 195 V C -0.176 175.794 176.094 -0.208 0.000 1.028 195 V CA -0.676 61.478 62.300 -0.244 0.000 0.860 195 V CB 1.465 33.146 31.823 -0.237 0.000 0.990 195 V HN 0.490 nan 8.190 nan 0.000 0.453 196 V N 4.981 124.800 119.914 -0.159 0.000 2.364 196 V HA 0.916 5.036 4.120 0.000 0.000 0.272 196 V C 0.680 176.727 176.094 -0.079 0.000 1.036 196 V CA 0.560 62.797 62.300 -0.105 0.000 0.880 196 V CB 0.485 32.263 31.823 -0.075 0.000 0.991 196 V HN 1.253 nan 8.190 nan 0.000 0.460 197 G N 3.913 112.681 108.800 -0.053 0.000 2.357 197 G HA2 0.465 4.425 3.960 0.000 0.000 0.643 197 G HA3 0.465 4.425 3.960 0.000 0.000 0.643 197 G C -0.386 174.507 174.900 -0.011 0.000 1.358 197 G CA -0.068 45.017 45.100 -0.026 0.000 0.986 197 G HN 1.362 nan 8.290 nan 0.000 0.620 198 A N -0.238 122.598 122.820 0.025 0.000 2.594 198 A HA 0.748 5.068 4.320 0.000 0.000 0.292 198 A C 1.027 178.656 177.584 0.075 0.000 1.026 198 A CA 1.201 53.273 52.037 0.059 0.000 0.983 198 A CB -0.441 18.615 19.000 0.093 0.000 1.233 198 A HN 2.313 nan 8.150 nan 0.000 0.519 199 S N -0.662 115.066 115.700 0.047 0.000 2.634 199 S HA 0.322 4.792 4.470 0.000 0.000 0.261 199 S C 1.152 175.788 174.600 0.060 0.000 1.271 199 S CA 0.224 58.468 58.200 0.072 0.000 0.985 199 S CB 0.003 63.192 63.200 -0.018 0.000 0.968 199 S HN 0.933 nan 8.310 nan 0.000 0.568 200 Y N -0.136 120.211 120.300 0.078 0.000 2.207 200 Y HA -0.036 4.514 4.550 0.000 0.000 0.287 200 Y C 1.839 177.779 175.900 0.066 0.000 1.156 200 Y CA 1.195 59.306 58.100 0.019 0.000 1.182 200 Y CB -1.423 37.040 38.460 0.005 0.000 0.979 200 Y HN 0.288 nan 8.280 nan 0.000 0.521 201 V N 1.432 121.099 119.914 -0.411 0.000 2.343 201 V HA -0.301 3.819 4.120 0.000 0.000 0.247 201 V C 2.901 178.949 176.094 -0.076 0.000 1.051 201 V CA 1.753 63.926 62.300 -0.211 0.000 1.036 201 V CB -1.548 30.103 31.823 -0.286 0.000 0.654 201 V HN 0.654 nan 8.190 nan 0.000 0.451 202 A N 0.104 122.868 122.820 -0.094 0.000 1.877 202 A HA -0.142 4.178 4.320 0.000 0.000 0.216 202 A C 2.218 179.756 177.584 -0.078 0.000 1.186 202 A CA 1.892 53.875 52.037 -0.089 0.000 0.620 202 A CB -0.523 18.433 19.000 -0.073 0.000 0.822 202 A HN 0.499 nan 8.150 nan 0.000 0.443 203 L N -1.085 120.129 121.223 -0.016 0.000 2.109 203 L HA -0.140 4.200 4.340 0.000 0.000 0.207 203 L C 2.551 179.436 176.870 0.024 0.000 1.086 203 L CA 1.369 56.217 54.840 0.013 0.000 0.760 203 L CB -0.760 41.342 42.059 0.072 0.000 0.910 203 L HN 0.472 nan 8.230 nan 0.000 0.437 204 E N -0.252 119.993 120.200 0.075 0.000 2.058 204 E HA -0.232 4.118 4.350 0.000 0.000 0.194 204 E C 2.344 178.955 176.600 0.017 0.000 0.997 204 E CA 1.733 58.225 56.400 0.154 0.000 0.801 204 E CB -0.157 29.717 29.700 0.290 0.000 0.746 204 E HN 0.510 nan 8.360 nan 0.000 0.450 205 C N 0.493 119.693 119.300 -0.167 0.000 2.453 205 C HA -0.041 4.419 4.460 0.000 0.000 0.277 205 C C 2.903 177.469 174.990 -0.708 0.000 1.262 205 C CA 0.636 59.233 59.018 -0.701 0.000 1.718 205 C CB -0.960 26.549 27.740 -0.385 0.000 2.031 205 C HN 0.536 nan 8.230 nan 0.000 0.480 206 A N 1.048 123.658 122.820 -0.351 0.000 1.903 206 A HA -0.083 4.237 4.320 0.000 0.000 0.219 206 A C 2.378 179.843 177.584 -0.199 0.000 1.191 206 A CA 2.430 54.307 52.037 -0.266 0.000 0.638 206 A CB -1.387 17.483 19.000 -0.216 0.000 0.823 206 A HN 0.571 nan 8.150 nan 0.000 0.451 207 G N -0.360 108.375 108.800 -0.109 0.000 2.421 207 G HA2 -0.178 3.782 3.960 0.000 0.000 0.216 207 G HA3 -0.178 3.782 3.960 0.000 0.000 0.216 207 G C 1.385 176.350 174.900 0.108 0.000 1.171 207 G CA 1.378 46.508 45.100 0.050 0.000 0.775 207 G HN 0.840 nan 8.290 nan 0.000 0.543 208 F N 0.474 120.511 119.950 0.146 0.000 2.367 208 F HA 0.330 4.857 4.527 0.000 0.000 0.298 208 F C 2.135 177.991 175.800 0.093 0.000 1.094 208 F CA 0.114 58.199 58.000 0.140 0.000 1.409 208 F CB -0.591 38.520 39.000 0.185 0.000 1.064 208 F HN 0.031 nan 8.300 nan 0.000 0.528 209 L N 0.825 121.984 121.223 -0.107 0.000 2.083 209 L HA -0.132 4.208 4.340 0.000 0.000 0.209 209 L C 2.898 179.791 176.870 0.039 0.000 1.083 209 L CA 1.214 56.068 54.840 0.024 0.000 0.752 209 L CB -1.063 40.914 42.059 -0.138 0.000 0.899 209 L HN 0.383 nan 8.230 nan 0.000 0.433 210 A N 0.208 123.034 122.820 0.009 0.000 1.929 210 A HA -0.065 4.255 4.320 0.000 0.000 0.216 210 A C 2.387 180.011 177.584 0.066 0.000 1.176 210 A CA 1.443 53.501 52.037 0.034 0.000 0.628 210 A CB -1.069 17.951 19.000 0.033 0.000 0.816 210 A HN 0.421 nan 8.150 nan 0.000 0.444 211 G N -0.406 108.453 108.800 0.099 0.000 2.448 211 G HA2 -0.105 3.855 3.960 0.000 0.000 0.219 211 G HA3 -0.105 3.855 3.960 0.000 0.000 0.219 211 G C 1.159 176.083 174.900 0.040 0.000 1.127 211 G CA 0.940 46.093 45.100 0.088 0.000 0.766 211 G HN 0.367 nan 8.290 nan 0.000 0.552 212 I N 0.942 121.530 120.570 0.030 0.000 3.564 212 I HA 0.157 4.327 4.170 0.000 0.000 0.294 212 I C 2.067 178.195 176.117 0.019 0.000 1.289 212 I CA 0.878 62.128 61.300 -0.084 0.000 1.325 212 I CB -0.593 37.327 38.000 -0.133 0.000 1.039 212 I HN 0.370 nan 8.210 nan 0.000 0.474 213 G N 0.608 109.439 108.800 0.050 0.000 2.179 213 G HA2 -0.204 3.756 3.960 0.000 0.000 0.220 213 G HA3 -0.204 3.756 3.960 0.000 0.000 0.220 213 G C 0.342 175.277 174.900 0.058 0.000 0.990 213 G CA -0.324 44.812 45.100 0.062 0.000 0.646 213 G HN 0.283 nan 8.290 nan 0.000 0.517 214 L N 0.912 122.168 121.223 0.054 0.000 2.439 214 L HA 0.481 4.821 4.340 0.000 0.000 0.261 214 L C 0.426 177.306 176.870 0.015 0.000 1.153 214 L CA -0.714 54.145 54.840 0.032 0.000 0.808 214 L CB 0.668 42.737 42.059 0.016 0.000 1.126 214 L HN 0.129 nan 8.230 nan 0.000 0.460 215 D N 1.730 122.137 120.400 0.011 0.000 2.339 215 D HA 0.308 4.948 4.640 0.000 0.000 0.241 215 D C -1.002 175.298 176.300 -0.000 0.000 1.183 215 D CA -0.119 53.889 54.000 0.012 0.000 0.859 215 D CB 0.896 41.709 40.800 0.022 0.000 1.067 215 D HN 0.072 nan 8.370 nan 0.000 0.484 216 V N 3.427 123.326 119.914 -0.026 0.000 2.540 216 V HA 0.513 4.633 4.120 0.000 0.000 0.302 216 V C 0.453 176.481 176.094 -0.110 0.000 1.035 216 V CA -0.761 61.490 62.300 -0.083 0.000 0.873 216 V CB 1.995 33.750 31.823 -0.114 0.000 0.992 216 V HN 0.516 nan 8.190 nan 0.000 0.428 217 T N 3.458 117.914 114.554 -0.162 0.000 2.841 217 T HA 0.632 4.982 4.350 0.000 0.000 0.283 217 T C -0.610 173.892 174.700 -0.331 0.000 1.000 217 T CA -0.409 61.568 62.100 -0.205 0.000 0.977 217 T CB 1.866 70.687 68.868 -0.079 0.000 0.979 217 T HN 0.403 nan 8.240 nan 0.000 0.446 218 V N 4.086 123.735 119.914 -0.443 0.000 2.384 218 V HA 0.477 4.598 4.120 0.000 0.000 0.287 218 V C -0.171 175.773 176.094 -0.249 0.000 1.020 218 V CA -0.751 61.293 62.300 -0.428 0.000 0.850 218 V CB 1.587 33.010 31.823 -0.667 0.000 0.987 218 V HN 0.843 nan 8.190 nan 0.000 0.436 219 M N 5.671 125.183 119.600 -0.148 0.000 2.088 219 M HA 0.576 5.056 4.480 0.000 0.000 0.346 219 M C -1.269 175.046 176.300 0.024 0.000 1.111 219 M CA -0.370 54.913 55.300 -0.030 0.000 1.017 219 M CB 1.297 33.880 32.600 -0.029 0.000 1.568 219 M HN 0.502 nan 8.290 nan 0.000 0.445 220 V N 5.169 125.140 119.914 0.094 0.000 2.581 220 V HA 0.414 4.534 4.120 0.000 0.000 0.303 220 V C 0.658 176.813 176.094 0.102 0.000 1.041 220 V CA -0.682 61.678 62.300 0.101 0.000 0.907 220 V CB 1.761 33.670 31.823 0.144 0.000 0.994 220 V HN 0.945 nan 8.190 nan 0.000 0.442 221 R N 2.002 122.545 120.500 0.072 0.000 2.052 221 R HA -0.020 4.320 4.340 0.000 0.000 0.226 221 R C 1.621 177.944 176.300 0.038 0.000 1.145 221 R CA 1.843 57.973 56.100 0.050 0.000 0.952 221 R CB 0.127 30.450 30.300 0.038 0.000 0.847 221 R HN 0.949 nan 8.270 nan 0.000 0.431 222 S N -0.282 115.445 115.700 0.045 0.000 3.830 222 S HA 0.261 4.731 4.470 0.000 0.000 0.172 222 S C 0.618 175.247 174.600 0.049 0.000 0.966 222 S CA -0.311 57.911 58.200 0.037 0.000 1.124 222 S CB -0.421 62.794 63.200 0.026 0.000 1.697 222 S HN 0.309 nan 8.310 nan 0.000 0.872 223 I N 1.127 121.727 120.570 0.050 0.000 2.664 223 I HA 0.559 4.729 4.170 0.000 0.000 0.308 223 I C -0.789 175.372 176.117 0.073 0.000 0.984 223 I CA -1.155 60.177 61.300 0.052 0.000 1.213 223 I CB 0.924 38.952 38.000 0.046 0.000 1.379 223 I HN 0.388 nan 8.210 nan 0.000 0.501 224 L N 5.053 126.317 121.223 0.068 0.000 2.371 224 L HA 0.280 4.620 4.340 0.000 0.000 0.272 224 L C 0.295 177.225 176.870 0.100 0.000 1.124 224 L CA -0.792 54.098 54.840 0.084 0.000 0.816 224 L CB 0.813 42.908 42.059 0.060 0.000 1.129 224 L HN 0.687 nan 8.230 nan 0.000 0.448 225 L N 2.219 123.520 121.223 0.130 0.000 3.823 225 L HA -0.227 4.113 4.340 0.000 0.000 0.525 225 L C 0.789 177.871 176.870 0.352 0.000 1.247 225 L CA 0.196 55.172 54.840 0.228 0.000 0.776 225 L CB -1.257 40.837 42.059 0.059 0.000 1.443 225 L HN 0.716 nan 8.230 nan 0.000 0.831 226 R N 0.990 121.645 120.500 0.258 0.000 2.537 226 R HA 0.237 4.577 4.340 0.000 0.000 0.281 226 R C 1.452 177.887 176.300 0.226 0.000 0.988 226 R CA 1.404 57.623 56.100 0.198 0.000 1.077 226 R CB 0.320 30.700 30.300 0.133 0.000 0.932 226 R HN 0.581 nan 8.270 nan 0.000 0.409 227 G N 3.286 112.160 108.800 0.123 0.000 2.279 227 G HA2 -0.275 3.685 3.960 0.000 0.000 0.223 227 G HA3 -0.275 3.685 3.960 0.000 0.000 0.223 227 G C -0.113 174.734 174.900 -0.089 0.000 1.015 227 G CA -0.115 44.968 45.100 -0.028 0.000 0.621 227 G HN 0.514 nan 8.290 nan 0.000 0.506 228 F N 1.946 121.968 119.950 0.120 0.000 2.378 228 F HA 0.499 5.026 4.527 0.000 0.000 0.325 228 F C 0.812 176.676 175.800 0.107 0.000 1.097 228 F CA -0.539 57.563 58.000 0.169 0.000 1.079 228 F CB 0.695 39.837 39.000 0.236 0.000 1.240 228 F HN 0.000 nan 8.300 nan 0.000 0.519 229 D N 1.959 122.549 120.400 0.317 0.000 2.502 229 D HA -0.098 4.542 4.640 0.000 0.000 0.249 229 D C 0.667 176.976 176.300 0.016 0.000 1.188 229 D CA 0.227 54.276 54.000 0.082 0.000 0.890 229 D CB 0.932 41.653 40.800 -0.132 0.000 1.140 229 D HN 0.503 nan 8.370 nan 0.000 0.505 230 Q N 2.954 122.754 119.800 0.001 0.000 2.230 230 Q HA -0.126 4.214 4.340 0.000 0.000 0.202 230 Q C 1.224 177.177 176.000 -0.077 0.000 0.963 230 Q CA 0.747 56.538 55.803 -0.020 0.000 0.866 230 Q CB -0.010 28.727 28.738 -0.002 0.000 0.931 230 Q HN 0.632 nan 8.270 nan 0.000 0.452 231 D N 0.174 120.515 120.400 -0.097 0.000 2.117 231 D HA -0.135 4.505 4.640 0.000 0.000 0.197 231 D C 1.722 177.906 176.300 -0.193 0.000 0.987 231 D CA 1.071 54.991 54.000 -0.134 0.000 0.829 231 D CB 0.208 40.937 40.800 -0.120 0.000 0.961 231 D HN 0.036 nan 8.370 nan 0.000 0.460 232 M N 0.396 119.860 119.600 -0.226 0.000 2.132 232 M HA 0.034 4.514 4.480 0.000 0.000 0.263 232 M C 2.437 178.506 176.300 -0.384 0.000 1.065 232 M CA 1.132 56.218 55.300 -0.357 0.000 1.122 232 M CB -1.381 30.858 32.600 -0.603 0.000 1.365 232 M HN 0.099 nan 8.290 nan 0.000 0.411 233 A N 1.379 124.021 122.820 -0.296 0.000 1.892 233 A HA -0.219 4.101 4.320 0.000 0.000 0.218 233 A C 2.009 179.502 177.584 -0.150 0.000 1.188 233 A CA 2.143 54.059 52.037 -0.201 0.000 0.631 233 A CB -0.915 18.040 19.000 -0.075 0.000 0.822 233 A HN 0.500 nan 8.150 nan 0.000 0.447 234 N N -0.145 118.474 118.700 -0.137 0.000 2.244 234 N HA -0.095 4.645 4.740 0.000 0.000 0.183 234 N C 1.576 177.005 175.510 -0.136 0.000 1.016 234 N CA 1.347 54.320 53.050 -0.129 0.000 0.866 234 N CB -0.308 38.111 38.487 -0.113 0.000 0.980 234 N HN 0.582 nan 8.380 nan 0.000 0.430 235 K N 0.553 120.862 120.400 -0.152 0.000 2.057 235 K HA 0.021 4.341 4.320 0.000 0.000 0.206 235 K C 2.014 178.583 176.600 -0.052 0.000 1.050 235 K CA 0.708 56.925 56.287 -0.116 0.000 0.935 235 K CB -0.126 32.274 32.500 -0.167 0.000 0.715 235 K HN 0.150 nan 8.250 nan 0.000 0.439 236 I N 0.713 121.230 120.570 -0.089 0.000 2.163 236 I HA -0.230 3.940 4.170 0.000 0.000 0.243 236 I C 2.526 178.665 176.117 0.036 0.000 1.085 236 I CA 1.560 62.847 61.300 -0.021 0.000 1.347 236 I CB -0.659 37.297 38.000 -0.073 0.000 1.044 236 I HN 0.274 nan 8.210 nan 0.000 0.408 237 G N -0.078 108.687 108.800 -0.058 0.000 2.418 237 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 237 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 237 G C 1.555 176.294 174.900 -0.269 0.000 1.158 237 G CA 0.589 45.566 45.100 -0.204 0.000 0.771 237 G HN 0.396 nan 8.290 nan 0.000 0.545 238 E N -0.651 119.456 120.200 -0.156 0.000 2.077 238 E HA -0.176 4.174 4.350 0.000 0.000 0.193 238 E C 2.174 178.771 176.600 -0.006 0.000 0.989 238 E CA 0.758 57.090 56.400 -0.112 0.000 0.800 238 E CB -0.243 29.414 29.700 -0.071 0.000 0.746 238 E HN 0.546 nan 8.360 nan 0.000 0.452 239 H N 0.429 119.508 119.070 0.015 0.000 2.326 239 H HA -0.058 4.498 4.556 0.000 0.000 0.301 239 H C 2.106 177.577 175.328 0.237 0.000 1.081 239 H CA 1.372 57.511 56.048 0.152 0.000 1.334 239 H CB 0.050 29.908 29.762 0.161 0.000 1.385 239 H HN 0.150 nan 8.280 nan 0.000 0.504 240 M N 0.328 120.110 119.600 0.302 0.000 2.117 240 M HA -0.157 4.323 4.480 0.000 0.000 0.262 240 M C 2.429 178.896 176.300 0.279 0.000 1.065 240 M CA 1.647 57.146 55.300 0.332 0.000 1.114 240 M CB -0.236 32.639 32.600 0.460 0.000 1.361 240 M HN 0.311 nan 8.290 nan 0.000 0.408 241 E N 0.547 120.847 120.200 0.168 0.000 2.106 241 E HA -0.204 4.147 4.350 0.000 0.000 0.192 241 E C 1.659 178.253 176.600 -0.011 0.000 0.984 241 E CA 1.158 57.622 56.400 0.105 0.000 0.806 241 E CB 0.104 29.736 29.700 -0.114 0.000 0.750 241 E HN 0.527 nan 8.360 nan 0.000 0.458 242 E N -0.849 119.279 120.200 -0.121 0.000 2.268 242 E HA -0.129 4.221 4.350 0.000 0.000 0.195 242 E C 0.317 176.624 176.600 -0.487 0.000 0.995 242 E CA 0.651 56.864 56.400 -0.313 0.000 0.836 242 E CB 0.058 29.502 29.700 -0.427 0.000 0.763 242 E HN 0.370 nan 8.360 nan 0.000 0.491 243 H N -1.439 117.549 119.070 -0.137 0.000 2.507 243 H HA 0.294 4.851 4.556 0.000 0.000 0.271 243 H C 0.709 176.022 175.328 -0.024 0.000 1.224 243 H CA 0.213 56.193 56.048 -0.114 0.000 1.000 243 H CB 0.846 30.491 29.762 -0.195 0.000 1.663 243 H HN 0.252 nan 8.280 nan 0.000 0.548 244 G N 0.191 109.016 108.800 0.042 0.000 2.345 244 G HA2 -0.263 3.697 3.960 0.000 0.000 0.218 244 G HA3 -0.263 3.697 3.960 0.000 0.000 0.218 244 G C 0.215 175.154 174.900 0.064 0.000 1.058 244 G CA -0.281 44.848 45.100 0.048 0.000 0.632 244 G HN 0.242 nan 8.290 nan 0.000 0.508 245 I N 2.563 123.196 120.570 0.105 0.000 2.618 245 I HA 0.204 4.374 4.170 0.000 0.000 0.284 245 I C 0.807 177.003 176.117 0.132 0.000 1.146 245 I CA 0.366 61.710 61.300 0.073 0.000 1.425 245 I CB 0.668 38.717 38.000 0.081 0.000 1.383 245 I HN 0.204 nan 8.210 nan 0.000 0.562 246 K N 6.493 126.899 120.400 0.009 0.000 2.143 246 K HA 0.508 4.828 4.320 0.000 0.000 0.272 246 K C -1.057 175.521 176.600 -0.037 0.000 1.001 246 K CA -0.336 55.992 56.287 0.069 0.000 0.915 246 K CB 1.202 33.719 32.500 0.028 0.000 1.047 246 K HN 0.255 nan 8.250 nan 0.000 0.458 247 F N 2.346 122.295 119.950 -0.002 0.000 2.493 247 F HA 0.418 4.945 4.527 0.000 0.000 0.329 247 F C 0.134 175.940 175.800 0.009 0.000 1.126 247 F CA -0.890 57.111 58.000 0.003 0.000 0.937 247 F CB 1.330 40.335 39.000 0.008 0.000 1.146 247 F HN 0.198 nan 8.300 nan 0.000 0.442 248 I N 5.165 125.815 120.570 0.133 0.000 2.354 248 I HA 0.372 4.542 4.170 0.000 0.000 0.286 248 I C -0.454 175.788 176.117 0.208 0.000 1.007 248 I CA -0.779 60.587 61.300 0.109 0.000 1.167 248 I CB 0.711 38.704 38.000 -0.012 0.000 1.320 248 I HN 0.417 nan 8.210 nan 0.000 0.458 249 R N 5.196 125.848 120.500 0.254 0.000 2.368 249 R HA 0.395 4.735 4.340 0.000 0.000 0.302 249 R C -0.257 176.211 176.300 0.280 0.000 1.002 249 R CA -0.672 55.569 56.100 0.235 0.000 0.929 249 R CB 1.203 31.599 30.300 0.160 0.000 1.073 249 R HN 0.571 nan 8.270 nan 0.000 0.464 250 Q N 0.598 120.492 119.800 0.156 0.000 2.464 250 Q HA -0.203 4.137 4.340 0.000 0.000 0.304 250 Q C -1.351 174.538 176.000 -0.184 0.000 1.401 250 Q CA 0.853 56.654 55.803 -0.004 0.000 0.806 250 Q CB -1.404 27.289 28.738 -0.076 0.000 1.134 250 Q HN 0.445 nan 8.270 nan 0.000 0.411 251 F N -1.174 118.793 119.950 0.029 0.000 2.601 251 F HA 0.738 5.265 4.527 0.000 0.000 0.309 251 F C -0.091 175.722 175.800 0.021 0.000 1.089 251 F CA -1.005 57.011 58.000 0.026 0.000 0.940 251 F CB 1.898 40.915 39.000 0.030 0.000 1.273 251 F HN -0.152 nan 8.300 nan 0.000 0.450 252 V N 2.861 122.886 119.914 0.185 0.000 2.789 252 V HA 0.512 4.632 4.120 0.000 0.000 0.311 252 V C -2.491 173.680 176.094 0.129 0.000 1.073 252 V CA -2.255 60.116 62.300 0.118 0.000 0.921 252 V CB 2.345 34.206 31.823 0.063 0.000 1.009 252 V HN 0.445 nan 8.190 nan 0.000 0.426 253 P HA 0.342 nan 4.420 nan 0.000 0.275 253 P C 0.595 177.946 177.300 0.084 0.000 1.227 253 P CA -0.086 63.070 63.100 0.093 0.000 0.781 253 P CB 0.640 32.383 31.700 0.071 0.000 0.906 254 I N -0.949 119.671 120.570 0.083 0.000 4.070 254 I HA 0.419 4.589 4.170 0.000 0.000 0.328 254 I C 0.290 176.447 176.117 0.066 0.000 1.298 254 I CA 0.290 61.632 61.300 0.069 0.000 1.173 254 I CB 0.322 38.360 38.000 0.064 0.000 1.051 254 I HN 0.136 nan 8.210 nan 0.000 0.409 255 K N 1.265 121.707 120.400 0.069 0.000 2.569 255 K HA 0.568 4.888 4.320 0.000 0.000 0.259 255 K C -1.898 174.744 176.600 0.070 0.000 0.932 255 K CA -0.540 55.788 56.287 0.068 0.000 0.833 255 K CB 3.079 35.610 32.500 0.052 0.000 1.340 255 K HN -0.042 nan 8.250 nan 0.000 0.429 256 V N 3.743 123.710 119.914 0.088 0.000 2.487 256 V HA 0.460 4.580 4.120 0.000 0.000 0.298 256 V C -0.767 175.343 176.094 0.027 0.000 1.028 256 V CA -0.661 61.685 62.300 0.077 0.000 0.860 256 V CB 1.510 33.413 31.823 0.134 0.000 0.991 256 V HN 0.853 nan 8.190 nan 0.000 0.427 257 E N 3.319 123.459 120.200 -0.099 0.000 2.317 257 E HA 0.536 4.886 4.350 0.000 0.000 0.270 257 E C -1.049 175.294 176.600 -0.428 0.000 0.885 257 E CA -1.043 55.202 56.400 -0.259 0.000 0.760 257 E CB 2.580 32.208 29.700 -0.121 0.000 1.227 257 E HN 0.586 nan 8.360 nan 0.000 0.434 258 Q N 2.916 122.290 119.800 -0.710 0.000 2.314 258 Q HA 0.212 4.552 4.340 0.000 0.000 0.257 258 Q C 0.174 176.020 176.000 -0.256 0.000 0.975 258 Q CA -0.118 55.350 55.803 -0.558 0.000 0.933 258 Q CB 0.785 29.110 28.738 -0.689 0.000 1.195 258 Q HN 0.773 nan 8.270 nan 0.000 0.426 259 I N 2.393 122.858 120.570 -0.175 0.000 2.233 259 I HA -0.034 4.136 4.170 0.000 0.000 0.243 259 I C 0.755 176.819 176.117 -0.088 0.000 1.093 259 I CA 0.953 62.186 61.300 -0.112 0.000 1.380 259 I CB 0.216 38.160 38.000 -0.094 0.000 1.067 259 I HN 0.649 nan 8.210 nan 0.000 0.413 260 E N 0.375 120.523 120.200 -0.087 0.000 2.321 260 E HA 0.511 4.861 4.350 0.000 0.000 0.281 260 E C -1.304 175.263 176.600 -0.055 0.000 0.910 260 E CA -0.606 55.758 56.400 -0.061 0.000 0.770 260 E CB 1.926 31.592 29.700 -0.056 0.000 1.225 260 E HN 0.138 nan 8.360 nan 0.000 0.417 261 A N 2.243 125.045 122.820 -0.030 0.000 2.332 261 A HA 0.839 5.159 4.320 0.000 0.000 0.258 261 A C 0.490 178.042 177.584 -0.053 0.000 1.087 261 A CA 0.756 52.784 52.037 -0.015 0.000 0.802 261 A CB 0.825 19.836 19.000 0.020 0.000 1.042 261 A HN 0.779 nan 8.150 nan 0.000 0.489 262 G N -1.244 107.504 108.800 -0.087 0.000 2.336 262 G HA2 0.527 4.487 3.960 0.000 0.000 0.286 262 G HA3 0.527 4.487 3.960 0.000 0.000 0.286 262 G C -0.531 174.177 174.900 -0.320 0.000 1.269 262 G CA 0.403 45.412 45.100 -0.152 0.000 0.873 262 G HN 1.785 nan 8.290 nan 0.000 0.494 263 T N -0.493 113.804 114.554 -0.429 0.000 3.446 263 T HA 0.634 4.984 4.350 0.000 0.000 0.289 263 T C -2.828 171.494 174.700 -0.630 0.000 1.203 263 T CA -0.809 60.752 62.100 -0.899 0.000 1.645 263 T CB 1.567 70.140 68.868 -0.492 0.000 0.841 263 T HN 0.575 nan 8.240 nan 0.000 0.617 264 P HA 0.582 nan 4.420 nan 0.000 0.282 264 P C 0.647 177.789 177.300 -0.263 0.000 1.259 264 P CA -0.144 62.660 63.100 -0.493 0.000 0.826 264 P CB 1.372 32.980 31.700 -0.153 0.000 1.064 265 G N 1.499 110.185 108.800 -0.191 0.000 2.509 265 G HA2 0.432 4.392 3.960 0.000 0.000 0.269 265 G HA3 0.432 4.392 3.960 0.000 0.000 0.269 265 G C -0.583 174.275 174.900 -0.071 0.000 1.416 265 G CA -0.792 44.243 45.100 -0.107 0.000 1.052 265 G HN 0.463 nan 8.290 nan 0.000 0.542 266 R N -0.892 119.569 120.500 -0.064 0.000 2.534 266 R HA 0.526 4.866 4.340 0.000 0.000 0.301 266 R C -1.183 175.073 176.300 -0.072 0.000 0.961 266 R CA -0.479 55.585 56.100 -0.059 0.000 0.871 266 R CB 1.894 32.152 30.300 -0.069 0.000 1.170 266 R HN 0.248 nan 8.270 nan 0.000 0.446 267 L N 1.901 123.096 121.223 -0.046 0.000 2.362 267 L HA 0.686 5.026 4.340 0.000 0.000 0.271 267 L C 0.322 177.169 176.870 -0.038 0.000 1.002 267 L CA -0.938 53.866 54.840 -0.061 0.000 0.818 267 L CB 1.828 43.882 42.059 -0.008 0.000 1.298 267 L HN 0.664 nan 8.230 nan 0.000 0.420 268 R N 2.005 122.467 120.500 -0.063 0.000 2.294 268 R HA 0.746 5.086 4.340 0.000 0.000 0.319 268 R C -1.048 175.260 176.300 0.014 0.000 0.984 268 R CA -0.479 55.595 56.100 -0.043 0.000 0.861 268 R CB 1.215 31.476 30.300 -0.065 0.000 1.104 268 R HN 0.403 nan 8.270 nan 0.000 0.451 269 V N 3.387 123.346 119.914 0.074 0.000 2.357 269 V HA 0.424 4.544 4.120 0.000 0.000 0.284 269 V C -0.177 175.962 176.094 0.074 0.000 1.018 269 V CA -0.984 61.380 62.300 0.108 0.000 0.841 269 V CB 1.728 33.668 31.823 0.195 0.000 0.991 269 V HN 0.668 nan 8.190 nan 0.000 0.437 270 V N 4.412 124.361 119.914 0.058 0.000 2.407 270 V HA 0.822 4.942 4.120 0.000 0.000 0.278 270 V C 0.441 176.585 176.094 0.083 0.000 1.037 270 V CA -0.244 62.089 62.300 0.055 0.000 0.900 270 V CB 1.357 33.207 31.823 0.045 0.000 0.983 270 V HN 0.984 nan 8.190 nan 0.000 0.459 271 A N 4.372 127.254 122.820 0.104 0.000 2.401 271 A HA 0.766 5.086 4.320 0.000 0.000 0.310 271 A C -0.780 176.982 177.584 0.297 0.000 1.075 271 A CA -0.656 51.490 52.037 0.183 0.000 0.746 271 A CB 1.970 21.078 19.000 0.179 0.000 1.277 271 A HN 0.642 nan 8.150 nan 0.000 0.425 272 Q N 0.998 120.968 119.800 0.284 0.000 2.312 272 Q HA 0.446 4.786 4.340 0.000 0.000 0.263 272 Q C -0.056 175.943 176.000 -0.001 0.000 0.995 272 Q CA -0.290 55.633 55.803 0.200 0.000 0.853 272 Q CB 1.950 30.737 28.738 0.082 0.000 1.300 272 Q HN 0.856 nan 8.270 nan 0.000 0.448 273 S N 1.337 116.842 115.700 -0.326 0.000 2.566 273 S HA 0.036 4.506 4.470 0.000 0.000 0.280 273 S C 0.879 175.222 174.600 -0.429 0.000 1.343 273 S CA 0.288 57.931 58.200 -0.927 0.000 1.036 273 S CB 0.578 63.385 63.200 -0.655 0.000 0.866 273 S HN 0.694 nan 8.310 nan 0.000 0.526 274 T N 3.244 117.553 114.554 -0.409 0.000 3.035 274 T HA 0.032 4.382 4.350 0.000 0.000 0.259 274 T C 0.923 175.538 174.700 -0.142 0.000 1.078 274 T CA 0.804 62.785 62.100 -0.198 0.000 1.132 274 T CB -0.237 68.544 68.868 -0.145 0.000 0.900 274 T HN 0.751 nan 8.240 nan 0.000 0.480 275 N N 1.061 119.664 118.700 -0.162 0.000 2.184 275 N HA 0.163 4.904 4.740 0.000 0.000 0.206 275 N C 0.143 175.602 175.510 -0.085 0.000 1.151 275 N CA -0.241 52.750 53.050 -0.099 0.000 0.878 275 N CB 0.600 39.040 38.487 -0.078 0.000 1.014 275 N HN 0.399 nan 8.380 nan 0.000 0.512 276 S N -1.928 113.707 115.700 -0.108 0.000 2.776 276 S HA 0.668 5.138 4.470 0.000 0.000 0.292 276 S C 0.438 175.003 174.600 -0.057 0.000 1.187 276 S CA -0.290 57.870 58.200 -0.067 0.000 0.834 276 S CB 0.961 64.129 63.200 -0.052 0.000 1.199 276 S HN -0.004 nan 8.310 nan 0.000 0.514 277 E N -1.181 119.006 120.200 -0.021 0.000 2.465 277 E HA 0.429 4.779 4.350 0.000 0.000 0.191 277 E C 0.591 177.208 176.600 0.028 0.000 1.053 277 E CA 0.496 56.895 56.400 -0.001 0.000 0.869 277 E CB -1.236 28.468 29.700 0.006 0.000 0.977 277 E HN 1.093 nan 8.360 nan 0.000 0.483 278 E N -0.000 120.222 120.200 0.038 0.000 2.414 278 E HA 0.503 4.853 4.350 0.000 0.000 0.263 278 E C -0.103 176.619 176.600 0.203 0.000 1.000 278 E CA 0.102 56.570 56.400 0.114 0.000 0.914 278 E CB -0.014 29.779 29.700 0.156 0.000 0.948 278 E HN 0.557 nan 8.360 nan 0.000 0.444 279 I N 1.675 122.357 120.570 0.186 0.000 2.509 279 I HA 0.572 4.742 4.170 0.000 0.000 0.293 279 I C 0.162 176.358 176.117 0.131 0.000 1.020 279 I CA -0.827 60.586 61.300 0.188 0.000 1.088 279 I CB 1.777 39.837 38.000 0.100 0.000 1.267 279 I HN 0.721 nan 8.210 nan 0.000 0.430 280 I N 1.408 122.023 120.570 0.075 0.000 2.785 280 I HA 0.655 4.825 4.170 0.000 0.000 0.302 280 I C -0.999 175.089 176.117 -0.048 0.000 1.069 280 I CA -0.651 60.610 61.300 -0.065 0.000 1.045 280 I CB 2.316 40.147 38.000 -0.282 0.000 1.236 280 I HN 0.501 nan 8.210 nan 0.000 0.429 281 E N 2.066 122.231 120.200 -0.059 0.000 2.244 281 E HA 0.755 5.105 4.350 0.000 0.000 0.266 281 E C -0.717 175.829 176.600 -0.090 0.000 0.914 281 E CA -1.036 55.334 56.400 -0.050 0.000 0.794 281 E CB 2.601 32.271 29.700 -0.049 0.000 1.210 281 E HN 0.970 nan 8.360 nan 0.000 0.414 282 G N 1.179 109.917 108.800 -0.104 0.000 2.718 282 G HA2 0.413 4.373 3.960 0.000 0.000 0.295 282 G HA3 0.413 4.373 3.960 0.000 0.000 0.295 282 G C -1.530 173.118 174.900 -0.421 0.000 1.421 282 G CA -0.738 44.185 45.100 -0.295 0.000 0.902 282 G HN 0.526 nan 8.290 nan 0.000 0.501 283 E N 0.009 119.851 120.200 -0.597 0.000 2.199 283 E HA 0.717 5.067 4.350 0.000 0.000 0.269 283 E C -1.640 174.549 176.600 -0.684 0.000 0.899 283 E CA -0.886 55.234 56.400 -0.465 0.000 0.772 283 E CB 2.051 31.608 29.700 -0.238 0.000 1.155 283 E HN 0.492 nan 8.360 nan 0.000 0.408 284 Y N 1.336 121.601 120.300 -0.057 0.000 2.605 284 Y HA 0.290 4.840 4.550 0.000 0.000 0.343 284 Y C 0.645 176.514 175.900 -0.052 0.000 1.036 284 Y CA -0.981 57.087 58.100 -0.055 0.000 1.065 284 Y CB 2.038 40.465 38.460 -0.053 0.000 1.288 284 Y HN 0.545 nan 8.280 nan 0.000 0.481 285 N N -0.635 118.132 118.700 0.113 0.000 2.290 285 N HA 0.033 4.773 4.740 0.000 0.000 0.179 285 N C -0.500 175.045 175.510 0.058 0.000 1.016 285 N CA 1.034 54.109 53.050 0.042 0.000 0.871 285 N CB 0.332 38.823 38.487 0.007 0.000 0.987 285 N HN 0.470 nan 8.380 nan 0.000 0.431 286 T N 0.180 114.773 114.554 0.066 0.000 2.912 286 T HA 0.493 4.843 4.350 0.000 0.000 0.299 286 T C -1.175 173.520 174.700 -0.009 0.000 1.052 286 T CA -0.611 61.514 62.100 0.043 0.000 0.996 286 T CB 2.760 71.635 68.868 0.013 0.000 1.070 286 T HN -0.342 nan 8.240 nan 0.000 0.465 287 V N 3.598 123.508 119.914 -0.006 0.000 2.443 287 V HA 0.521 4.641 4.120 0.000 0.000 0.293 287 V C -0.373 175.685 176.094 -0.060 0.000 1.021 287 V CA -0.724 61.535 62.300 -0.067 0.000 0.848 287 V CB 1.661 33.476 31.823 -0.013 0.000 0.998 287 V HN 0.803 nan 8.190 nan 0.000 0.424 288 M N 5.800 125.328 119.600 -0.119 0.000 2.205 288 M HA 0.563 5.043 4.480 0.000 0.000 0.344 288 M C -1.325 174.898 176.300 -0.128 0.000 1.085 288 M CA -0.605 54.624 55.300 -0.119 0.000 1.001 288 M CB 1.528 34.037 32.600 -0.152 0.000 1.626 288 M HN 0.548 nan 8.290 nan 0.000 0.442 289 L N 4.589 125.732 121.223 -0.133 0.000 2.264 289 L HA 0.468 4.808 4.340 0.000 0.000 0.287 289 L C 0.197 176.967 176.870 -0.166 0.000 1.039 289 L CA -0.429 54.321 54.840 -0.150 0.000 0.829 289 L CB 1.064 43.007 42.059 -0.193 0.000 1.211 289 L HN 0.802 nan 8.230 nan 0.000 0.427 290 A N 5.207 127.950 122.820 -0.128 0.000 3.218 290 A HA 0.435 4.755 4.320 0.000 0.000 0.321 290 A C 0.540 178.073 177.584 -0.085 0.000 1.012 290 A CA -0.361 51.607 52.037 -0.115 0.000 0.948 290 A CB -0.217 18.713 19.000 -0.116 0.000 1.050 290 A HN 0.833 nan 8.150 nan 0.000 0.492 291 I N -2.529 117.996 120.570 -0.075 0.000 3.889 291 I HA 0.623 4.793 4.170 0.000 0.000 0.332 291 I C 0.492 176.599 176.117 -0.017 0.000 1.493 291 I CA 0.190 61.469 61.300 -0.035 0.000 1.158 291 I CB 0.086 38.072 38.000 -0.023 0.000 1.117 291 I HN 0.571 nan 8.210 nan 0.000 0.411 292 G N 1.585 110.369 108.800 -0.028 0.000 2.434 292 G HA2 0.014 3.974 3.960 0.000 0.000 0.671 292 G HA3 0.014 3.974 3.960 0.000 0.000 0.671 292 G C -1.153 173.747 174.900 0.001 0.000 1.280 292 G CA -1.066 44.034 45.100 -0.001 0.000 0.975 292 G HN 0.406 nan 8.290 nan 0.000 0.510 293 R N -0.024 120.494 120.500 0.029 0.000 2.725 293 R HA 0.560 4.900 4.340 0.000 0.000 0.277 293 R C -1.837 174.499 176.300 0.060 0.000 0.987 293 R CA -1.019 55.108 56.100 0.045 0.000 0.901 293 R CB 2.277 32.610 30.300 0.055 0.000 1.207 293 R HN 0.533 nan 8.270 nan 0.000 0.463 294 D N 1.129 121.572 120.400 0.072 0.000 2.192 294 D HA 0.338 4.978 4.640 0.000 0.000 0.246 294 D C -0.258 176.091 176.300 0.082 0.000 1.042 294 D CA -0.375 53.669 54.000 0.074 0.000 0.847 294 D CB 2.038 42.886 40.800 0.081 0.000 1.186 294 D HN 0.582 nan 8.370 nan 0.000 0.461 295 A N 1.376 124.240 122.820 0.072 0.000 2.511 295 A HA 0.116 4.436 4.320 0.000 0.000 0.242 295 A C 0.527 178.161 177.584 0.084 0.000 1.069 295 A CA -0.251 51.831 52.037 0.074 0.000 0.763 295 A CB 0.038 19.073 19.000 0.058 0.000 1.001 295 A HN 0.738 nan 8.150 nan 0.000 0.498 296 C N 3.011 122.368 119.300 0.095 0.000 2.865 296 C HA 0.307 4.767 4.460 0.000 0.000 0.545 296 C C 1.715 176.761 174.990 0.094 0.000 1.154 296 C CA 0.276 59.360 59.018 0.111 0.000 1.375 296 C CB -2.276 25.544 27.740 0.134 0.000 1.627 296 C HN 0.904 nan 8.230 nan 0.000 0.623 297 T N -2.847 111.755 114.554 0.080 0.000 3.040 297 T HA 0.085 4.435 4.350 0.000 0.000 0.266 297 T C 1.706 176.446 174.700 0.067 0.000 1.005 297 T CA -0.101 62.039 62.100 0.067 0.000 0.906 297 T CB 0.068 68.966 68.868 0.049 0.000 1.082 297 T HN 0.458 nan 8.240 nan 0.000 0.531 298 R N 1.846 122.391 120.500 0.075 0.000 2.140 298 R HA 0.122 4.462 4.340 0.000 0.000 0.213 298 R C 0.894 177.241 176.300 0.079 0.000 1.059 298 R CA 0.456 56.596 56.100 0.066 0.000 1.000 298 R CB -0.248 30.089 30.300 0.061 0.000 0.910 298 R HN 0.306 nan 8.270 nan 0.000 0.455 299 K N 1.404 121.871 120.400 0.113 0.000 2.832 299 K HA 0.330 4.651 4.320 0.000 0.000 0.211 299 K C 1.094 177.802 176.600 0.181 0.000 1.112 299 K CA -0.009 56.365 56.287 0.144 0.000 1.108 299 K CB -0.466 32.131 32.500 0.162 0.000 0.899 299 K HN 0.449 nan 8.250 nan 0.000 0.464 300 I N -3.732 116.903 120.570 0.108 0.000 3.947 300 I HA 0.492 4.662 4.170 0.000 0.000 0.327 300 I C 0.833 177.015 176.117 0.109 0.000 1.519 300 I CA -0.277 61.048 61.300 0.041 0.000 1.122 300 I CB 0.485 38.475 38.000 -0.017 0.000 1.146 300 I HN 0.316 nan 8.210 nan 0.000 0.442 301 G N 2.385 111.256 108.800 0.117 0.000 2.221 301 G HA2 -0.265 3.695 3.960 0.000 0.000 0.265 301 G HA3 -0.265 3.695 3.960 0.000 0.000 0.265 301 G C 0.597 175.579 174.900 0.136 0.000 1.041 301 G CA 0.577 45.756 45.100 0.132 0.000 0.807 301 G HN 0.497 nan 8.290 nan 0.000 0.502 302 L N -0.737 120.540 121.223 0.089 0.000 2.187 302 L HA -0.097 4.243 4.340 0.000 0.000 0.213 302 L C 2.764 179.583 176.870 -0.085 0.000 1.100 302 L CA 2.008 56.830 54.840 -0.030 0.000 0.765 302 L CB -0.417 41.628 42.059 -0.024 0.000 0.904 302 L HN 0.428 nan 8.230 nan 0.000 0.437 303 E N -0.105 120.076 120.200 -0.032 0.000 2.077 303 E HA -0.201 4.149 4.350 0.000 0.000 0.193 303 E C 2.075 178.648 176.600 -0.046 0.000 0.989 303 E CA 1.778 58.156 56.400 -0.036 0.000 0.800 303 E CB -0.853 28.841 29.700 -0.009 0.000 0.746 303 E HN 0.520 nan 8.360 nan 0.000 0.452 304 T N -1.838 112.699 114.554 -0.027 0.000 3.051 304 T HA -0.006 4.344 4.350 0.000 0.000 0.269 304 T C 1.664 176.324 174.700 -0.066 0.000 1.127 304 T CA 0.846 62.935 62.100 -0.017 0.000 1.107 304 T CB 0.114 69.001 68.868 0.032 0.000 0.898 304 T HN 0.112 nan 8.240 nan 0.000 0.517 305 V N -0.373 119.441 119.914 -0.167 0.000 3.502 305 V HA 0.575 4.695 4.120 0.000 0.000 0.288 305 V C 1.429 177.371 176.094 -0.252 0.000 1.461 305 V CA 0.638 62.778 62.300 -0.266 0.000 1.029 305 V CB 0.045 31.489 31.823 -0.632 0.000 0.843 305 V HN 0.750 nan 8.190 nan 0.000 0.438 306 G N 0.760 109.443 108.800 -0.196 0.000 2.132 306 G HA2 -0.192 3.768 3.960 0.000 0.000 0.234 306 G HA3 -0.192 3.768 3.960 0.000 0.000 0.234 306 G C 0.104 174.894 174.900 -0.184 0.000 0.989 306 G CA 0.177 45.184 45.100 -0.154 0.000 0.676 306 G HN 0.692 nan 8.290 nan 0.000 0.522 307 V N 0.968 120.742 119.914 -0.233 0.000 2.470 307 V HA 0.297 4.417 4.120 0.000 0.000 0.276 307 V C 0.979 176.991 176.094 -0.137 0.000 1.040 307 V CA 0.130 62.300 62.300 -0.218 0.000 1.008 307 V CB 1.256 32.924 31.823 -0.259 0.000 0.990 307 V HN 0.341 nan 8.190 nan 0.000 0.477 308 K N 5.336 125.665 120.400 -0.118 0.000 2.205 308 K HA 0.622 4.942 4.320 0.000 0.000 0.279 308 K C -0.242 176.317 176.600 -0.068 0.000 1.027 308 K CA -0.248 55.989 56.287 -0.082 0.000 0.932 308 K CB 1.128 33.583 32.500 -0.074 0.000 1.032 308 K HN 0.759 nan 8.250 nan 0.000 0.466 309 I N -0.841 119.700 120.570 -0.048 0.000 3.042 309 I HA 0.348 4.518 4.170 0.000 0.000 0.310 309 I C -0.732 175.370 176.117 -0.026 0.000 1.117 309 I CA -0.976 60.304 61.300 -0.033 0.000 1.003 309 I CB 2.073 40.062 38.000 -0.019 0.000 1.228 309 I HN 0.494 nan 8.210 nan 0.000 0.443 310 N N 3.399 122.086 118.700 -0.020 0.000 2.405 310 N HA 0.021 4.761 4.740 0.000 0.000 0.260 310 N C 0.479 175.985 175.510 -0.006 0.000 1.152 310 N CA -0.226 52.815 53.050 -0.015 0.000 0.948 310 N CB 0.798 39.276 38.487 -0.014 0.000 1.111 310 N HN 0.626 nan 8.380 nan 0.000 0.485 311 E N 3.300 123.496 120.200 -0.006 0.000 2.204 311 E HA -0.202 4.148 4.350 0.000 0.000 0.194 311 E C 1.412 178.016 176.600 0.006 0.000 0.989 311 E CA 0.922 57.322 56.400 0.000 0.000 0.824 311 E CB 0.147 29.846 29.700 -0.002 0.000 0.756 311 E HN 0.679 nan 8.360 nan 0.000 0.477 312 K N 0.662 121.064 120.400 0.004 0.000 1.973 312 K HA -0.104 4.216 4.320 0.000 0.000 0.210 312 K C 2.139 178.747 176.600 0.013 0.000 1.045 312 K CA 1.996 58.288 56.287 0.008 0.000 0.937 312 K CB -0.071 32.432 32.500 0.005 0.000 0.721 312 K HN 0.175 nan 8.250 nan 0.000 0.438 313 T N -3.566 110.995 114.554 0.010 0.000 3.081 313 T HA 0.207 4.557 4.350 0.000 0.000 0.255 313 T C 1.382 176.095 174.700 0.021 0.000 1.113 313 T CA 0.650 62.760 62.100 0.016 0.000 1.082 313 T CB 0.346 69.221 68.868 0.011 0.000 0.939 313 T HN 0.503 nan 8.240 nan 0.000 0.506 314 G N 1.535 110.346 108.800 0.018 0.000 2.205 314 G HA2 -0.237 3.723 3.960 0.000 0.000 0.261 314 G HA3 -0.237 3.723 3.960 0.000 0.000 0.261 314 G C 0.159 175.071 174.900 0.020 0.000 0.980 314 G CA 0.164 45.279 45.100 0.024 0.000 0.632 314 G HN 0.609 nan 8.290 nan 0.000 0.533 315 K N 0.343 120.750 120.400 0.012 0.000 2.168 315 K HA 0.580 4.901 4.320 0.000 0.000 0.258 315 K C 0.597 177.192 176.600 -0.008 0.000 1.010 315 K CA -0.472 55.818 56.287 0.005 0.000 0.929 315 K CB 0.968 33.467 32.500 -0.002 0.000 0.998 315 K HN 0.324 nan 8.250 nan 0.000 0.479 316 I N 3.897 124.459 120.570 -0.013 0.000 2.330 316 I HA 0.174 4.344 4.170 0.000 0.000 0.289 316 I C -2.143 173.947 176.117 -0.045 0.000 1.001 316 I CA -2.368 58.915 61.300 -0.028 0.000 1.193 316 I CB 1.576 39.564 38.000 -0.021 0.000 1.345 316 I HN 0.150 nan 8.210 nan 0.000 0.461 317 P HA 0.184 nan 4.420 nan 0.000 0.271 317 P C -0.715 176.538 177.300 -0.078 0.000 1.218 317 P CA -0.078 62.982 63.100 -0.066 0.000 0.780 317 P CB 1.251 32.914 31.700 -0.063 0.000 0.901 318 V N 1.455 121.320 119.914 -0.082 0.000 3.120 318 V HA 0.399 4.519 4.120 0.000 0.000 0.303 318 V C -0.052 175.996 176.094 -0.076 0.000 1.238 318 V CA -0.487 61.763 62.300 -0.084 0.000 1.008 318 V CB 2.475 34.260 31.823 -0.063 0.000 1.064 318 V HN 0.747 nan 8.190 nan 0.000 0.434 319 T N 0.222 114.732 114.554 -0.073 0.000 2.766 319 T HA 0.152 4.502 4.350 0.000 0.000 0.295 319 T C 0.901 175.595 174.700 -0.010 0.000 1.024 319 T CA 0.348 62.420 62.100 -0.046 0.000 1.018 319 T CB 0.535 69.373 68.868 -0.049 0.000 1.002 319 T HN 0.861 nan 8.240 nan 0.000 0.532 320 D N -0.944 119.462 120.400 0.009 0.000 2.403 320 D HA -0.099 4.541 4.640 0.000 0.000 0.227 320 D C 0.987 177.341 176.300 0.090 0.000 0.995 320 D CA 0.553 54.585 54.000 0.053 0.000 0.928 320 D CB -0.201 40.628 40.800 0.048 0.000 0.887 320 D HN 0.803 nan 8.370 nan 0.000 0.529 321 E N -0.272 119.973 120.200 0.076 0.000 2.603 321 E HA 0.076 4.426 4.350 0.000 0.000 0.211 321 E C -0.423 176.280 176.600 0.170 0.000 0.995 321 E CA -0.157 56.310 56.400 0.112 0.000 0.990 321 E CB 0.192 29.952 29.700 0.100 0.000 1.036 321 E HN -0.064 nan 8.360 nan 0.000 0.475 322 E N 0.116 120.393 120.200 0.128 0.000 2.971 322 E HA -0.266 4.084 4.350 0.000 0.000 0.278 322 E C -0.425 176.215 176.600 0.067 0.000 1.009 322 E CA 0.715 57.200 56.400 0.140 0.000 0.862 322 E CB -1.249 28.582 29.700 0.218 0.000 1.436 322 E HN 0.338 nan 8.360 nan 0.000 0.434 323 Q N 0.784 120.503 119.800 -0.135 0.000 2.256 323 Q HA 0.353 4.693 4.340 0.000 0.000 0.254 323 Q C 0.484 176.280 176.000 -0.341 0.000 0.916 323 Q CA 0.193 55.671 55.803 -0.542 0.000 0.932 323 Q CB 0.892 29.334 28.738 -0.492 0.000 1.207 323 Q HN 0.309 nan 8.270 nan 0.000 0.426 324 T N 0.056 114.385 114.554 -0.376 0.000 2.729 324 T HA 0.053 4.403 4.350 0.000 0.000 0.298 324 T C 1.322 175.871 174.700 -0.252 0.000 1.013 324 T CA -0.067 61.880 62.100 -0.255 0.000 0.957 324 T CB 0.356 69.081 68.868 -0.238 0.000 1.130 324 T HN 0.809 nan 8.240 nan 0.000 0.526 325 N N -0.269 118.312 118.700 -0.199 0.000 2.453 325 N HA -0.085 4.655 4.740 0.000 0.000 0.183 325 N C 0.175 175.568 175.510 -0.196 0.000 1.041 325 N CA 0.424 53.373 53.050 -0.169 0.000 0.900 325 N CB -0.562 37.848 38.487 -0.130 0.000 0.961 325 N HN 0.404 nan 8.380 nan 0.000 0.443 326 V N 2.793 122.539 119.914 -0.280 0.000 2.368 326 V HA 0.171 4.291 4.120 0.000 0.000 0.266 326 V C -1.319 174.543 176.094 -0.386 0.000 1.045 326 V CA -1.288 60.800 62.300 -0.354 0.000 0.899 326 V CB 1.318 32.810 31.823 -0.551 0.000 1.006 326 V HN -0.015 nan 8.190 nan 0.000 0.470 327 P HA -0.202 nan 4.420 nan 0.000 0.216 327 P C 1.264 178.531 177.300 -0.054 0.000 1.154 327 P CA 1.714 64.747 63.100 -0.112 0.000 0.865 327 P CB -0.031 31.700 31.700 0.052 0.000 0.789 328 Y N -2.472 117.837 120.300 0.014 0.000 2.546 328 Y HA 0.332 4.882 4.550 0.000 0.000 0.287 328 Y C 0.644 176.680 175.900 0.227 0.000 1.158 328 Y CA -0.535 57.657 58.100 0.153 0.000 1.307 328 Y CB -0.869 37.648 38.460 0.096 0.000 1.036 328 Y HN -0.169 nan 8.280 nan 0.000 0.532 329 I N 1.467 121.837 120.570 -0.335 0.000 2.354 329 I HA 0.258 4.428 4.170 0.000 0.000 0.292 329 I C -1.186 174.842 176.117 -0.148 0.000 0.989 329 I CA -0.839 60.370 61.300 -0.152 0.000 1.188 329 I CB 0.873 38.601 38.000 -0.453 0.000 1.342 329 I HN -0.047 nan 8.210 nan 0.000 0.457 330 Y N 4.238 124.548 120.300 0.017 0.000 2.549 330 Y HA 0.781 5.331 4.550 0.000 0.000 0.339 330 Y C 0.177 176.102 175.900 0.042 0.000 1.053 330 Y CA -0.900 57.211 58.100 0.018 0.000 1.105 330 Y CB 2.086 40.566 38.460 0.034 0.000 1.258 330 Y HN 0.540 nan 8.280 nan 0.000 0.478 331 A N 2.221 125.135 122.820 0.157 0.000 2.449 331 A HA 0.831 5.151 4.320 0.000 0.000 0.302 331 A C -1.913 175.743 177.584 0.119 0.000 1.048 331 A CA -0.592 51.515 52.037 0.116 0.000 0.708 331 A CB 1.423 20.456 19.000 0.055 0.000 1.274 331 A HN 0.558 nan 8.150 nan 0.000 0.410 332 I N 0.162 120.799 120.570 0.112 0.000 3.095 332 I HA 0.843 5.013 4.170 0.000 0.000 0.310 332 I C 0.544 176.721 176.117 0.099 0.000 1.196 332 I CA 0.809 62.178 61.300 0.116 0.000 0.985 332 I CB 2.007 40.078 38.000 0.118 0.000 1.250 332 I HN 2.037 nan 8.210 nan 0.000 0.446 333 G N 4.661 113.529 108.800 0.113 0.000 2.512 333 G HA2 -0.177 3.783 3.960 0.000 0.000 0.210 333 G HA3 -0.177 3.783 3.960 0.000 0.000 0.210 333 G C -0.074 174.882 174.900 0.093 0.000 1.295 333 G CA 0.154 45.314 45.100 0.101 0.000 0.934 333 G HN 0.570 nan 8.290 nan 0.000 0.554 334 D N 0.092 120.545 120.400 0.088 0.000 2.264 334 D HA -0.018 4.623 4.640 0.000 0.000 0.208 334 D C 2.562 178.902 176.300 0.066 0.000 0.966 334 D CA 0.719 54.770 54.000 0.084 0.000 0.864 334 D CB -0.029 40.828 40.800 0.096 0.000 0.933 334 D HN 0.346 nan 8.370 nan 0.000 0.499 335 I N 0.592 121.201 120.570 0.064 0.000 2.315 335 I HA -0.180 3.990 4.170 0.000 0.000 0.251 335 I C 0.721 176.855 176.117 0.029 0.000 1.125 335 I CA 0.503 61.833 61.300 0.051 0.000 1.392 335 I CB -0.831 37.203 38.000 0.057 0.000 1.065 335 I HN 0.033 nan 8.210 nan 0.000 0.424 336 L N 1.000 122.236 121.223 0.020 0.000 2.456 336 L HA 0.009 4.349 4.340 0.000 0.000 0.272 336 L C 0.998 177.845 176.870 -0.039 0.000 1.189 336 L CA 0.351 55.180 54.840 -0.018 0.000 0.846 336 L CB -0.355 41.678 42.059 -0.042 0.000 1.111 336 L HN 0.183 nan 8.230 nan 0.000 0.475 337 E N 2.809 122.975 120.200 -0.057 0.000 2.290 337 E HA 0.016 4.367 4.350 0.000 0.000 0.277 337 E C -0.552 175.993 176.600 -0.091 0.000 1.035 337 E CA -0.338 56.027 56.400 -0.058 0.000 0.873 337 E CB 0.273 29.941 29.700 -0.054 0.000 1.029 337 E HN 0.536 nan 8.360 nan 0.000 0.419 338 D N 2.892 123.248 120.400 -0.074 0.000 2.723 338 D HA -0.170 4.471 4.640 0.000 0.000 0.236 338 D C -0.374 175.840 176.300 -0.143 0.000 1.138 338 D CA 0.952 54.900 54.000 -0.087 0.000 0.676 338 D CB -0.374 40.378 40.800 -0.080 0.000 1.069 338 D HN 0.398 nan 8.370 nan 0.000 0.430 339 K N -1.013 119.294 120.400 -0.154 0.000 1.950 339 K HA 0.692 5.012 4.320 0.000 0.000 0.259 339 K C 0.324 176.900 176.600 -0.040 0.000 1.013 339 K CA -0.554 55.591 56.287 -0.236 0.000 1.147 339 K CB 0.616 32.855 32.500 -0.436 0.000 2.115 339 K HN -0.088 nan 8.250 nan 0.000 0.877 340 V N 1.919 121.887 119.914 0.091 0.000 2.444 340 V HA 0.257 4.377 4.120 0.000 0.000 0.294 340 V C -0.581 175.587 176.094 0.123 0.000 1.022 340 V CA -0.642 61.728 62.300 0.116 0.000 0.850 340 V CB 1.379 33.297 31.823 0.158 0.000 0.992 340 V HN 0.518 nan 8.190 nan 0.000 0.426 341 E N 5.551 125.807 120.200 0.094 0.000 2.028 341 E HA 0.515 4.865 4.350 0.000 0.000 0.275 341 E C -0.996 175.679 176.600 0.124 0.000 1.171 341 E CA 0.019 56.488 56.400 0.114 0.000 1.186 341 E CB 0.346 30.121 29.700 0.125 0.000 1.256 341 E HN 0.504 nan 8.360 nan 0.000 0.474 342 L N -0.167 121.119 121.223 0.105 0.000 2.409 342 L HA 0.287 4.628 4.340 0.000 0.000 0.262 342 L C 1.311 178.229 176.870 0.080 0.000 0.992 342 L CA -0.640 54.254 54.840 0.091 0.000 0.817 342 L CB 2.014 44.107 42.059 0.056 0.000 1.350 342 L HN 0.104 nan 8.230 nan 0.000 0.411 343 T N 0.684 115.284 114.554 0.076 0.000 2.665 343 T HA -0.088 4.262 4.350 0.000 0.000 0.268 343 T C -1.163 173.563 174.700 0.043 0.000 1.035 343 T CA 1.881 64.016 62.100 0.059 0.000 1.151 343 T CB -0.644 68.257 68.868 0.055 0.000 0.862 343 T HN 0.492 nan 8.240 nan 0.000 0.438 344 P HA 0.070 nan 4.420 nan 0.000 0.221 344 P C 1.526 178.824 177.300 -0.004 0.000 1.150 344 P CA 0.381 63.490 63.100 0.016 0.000 0.800 344 P CB -0.168 31.539 31.700 0.010 0.000 0.787 345 V N 0.568 120.485 119.914 0.005 0.000 2.307 345 V HA -0.226 3.894 4.120 0.000 0.000 0.245 345 V C 2.557 178.657 176.094 0.011 0.000 1.045 345 V CA 2.211 64.500 62.300 -0.018 0.000 1.024 345 V CB -1.690 30.163 31.823 0.050 0.000 0.651 345 V HN 0.096 nan 8.190 nan 0.000 0.449 346 A N -0.000 122.853 122.820 0.056 0.000 1.892 346 A HA -0.230 4.090 4.320 0.000 0.000 0.218 346 A C 2.186 179.792 177.584 0.038 0.000 1.188 346 A CA 2.221 54.297 52.037 0.064 0.000 0.631 346 A CB -0.614 18.424 19.000 0.064 0.000 0.822 346 A HN 0.515 nan 8.150 nan 0.000 0.447 347 I N -1.176 119.408 120.570 0.024 0.000 2.179 347 I HA -0.285 3.885 4.170 0.000 0.000 0.242 347 I C 2.805 178.925 176.117 0.006 0.000 1.088 347 I CA 1.872 63.183 61.300 0.019 0.000 1.357 347 I CB -0.323 37.690 38.000 0.022 0.000 1.051 347 I HN 0.435 nan 8.210 nan 0.000 0.409 348 Q N 1.052 120.841 119.800 -0.019 0.000 2.084 348 Q HA -0.175 4.165 4.340 0.000 0.000 0.202 348 Q C 2.179 178.154 176.000 -0.041 0.000 0.978 348 Q CA 2.170 57.947 55.803 -0.043 0.000 0.844 348 Q CB -0.220 28.464 28.738 -0.091 0.000 0.898 348 Q HN 0.504 nan 8.270 nan 0.000 0.426 349 A N -0.314 122.483 122.820 -0.038 0.000 1.933 349 A HA -0.047 4.273 4.320 0.000 0.000 0.218 349 A C 2.244 179.849 177.584 0.034 0.000 1.175 349 A CA 1.566 53.605 52.037 0.004 0.000 0.628 349 A CB -1.304 17.742 19.000 0.077 0.000 0.814 349 A HN 0.558 nan 8.150 nan 0.000 0.444 350 G N -0.850 107.972 108.800 0.037 0.000 2.404 350 G HA2 -0.167 3.793 3.960 0.000 0.000 0.215 350 G HA3 -0.167 3.793 3.960 0.000 0.000 0.215 350 G C 1.826 176.750 174.900 0.039 0.000 1.174 350 G CA 1.049 46.174 45.100 0.041 0.000 0.780 350 G HN 0.432 nan 8.290 nan 0.000 0.537 351 R N 0.045 120.566 120.500 0.035 0.000 2.080 351 R HA 0.082 4.422 4.340 0.000 0.000 0.236 351 R C 2.821 179.146 176.300 0.042 0.000 1.137 351 R CA 1.326 57.455 56.100 0.048 0.000 0.943 351 R CB -1.244 29.078 30.300 0.037 0.000 0.846 351 R HN 0.474 nan 8.270 nan 0.000 0.431 352 L N 0.236 121.467 121.223 0.014 0.000 2.141 352 L HA -0.080 4.260 4.340 0.000 0.000 0.209 352 L C 2.520 179.377 176.870 -0.021 0.000 1.094 352 L CA 1.022 55.860 54.840 -0.003 0.000 0.763 352 L CB -0.516 41.533 42.059 -0.017 0.000 0.908 352 L HN 0.211 nan 8.230 nan 0.000 0.437 353 L N 0.266 121.477 121.223 -0.019 0.000 2.027 353 L HA -0.128 4.212 4.340 0.000 0.000 0.206 353 L C 2.664 179.447 176.870 -0.145 0.000 1.074 353 L CA 2.004 56.799 54.840 -0.075 0.000 0.745 353 L CB -0.688 41.339 42.059 -0.053 0.000 0.898 353 L HN 0.121 nan 8.230 nan 0.000 0.433 354 A N -0.936 121.857 122.820 -0.044 0.000 1.908 354 A HA -0.290 4.030 4.320 0.000 0.000 0.218 354 A C 2.194 179.757 177.584 -0.035 0.000 1.181 354 A CA 2.104 54.169 52.037 0.047 0.000 0.627 354 A CB -0.650 18.471 19.000 0.201 0.000 0.818 354 A HN 0.704 nan 8.150 nan 0.000 0.445 355 Q N -1.244 118.533 119.800 -0.038 0.000 2.123 355 Q HA -0.107 4.233 4.340 0.000 0.000 0.199 355 Q C 2.362 178.245 176.000 -0.195 0.000 0.966 355 Q CA 1.301 57.031 55.803 -0.123 0.000 0.845 355 Q CB -0.114 28.616 28.738 -0.013 0.000 0.907 355 Q HN 0.621 nan 8.270 nan 0.000 0.439 356 R N 0.376 120.776 120.500 -0.166 0.000 2.075 356 R HA -0.061 4.279 4.340 0.000 0.000 0.232 356 R C 2.223 178.360 176.300 -0.272 0.000 1.126 356 R CA 1.059 57.056 56.100 -0.172 0.000 0.963 356 R CB -0.100 30.129 30.300 -0.119 0.000 0.858 356 R HN 0.206 nan 8.270 nan 0.000 0.435 357 L N -1.254 119.699 121.223 -0.450 0.000 2.056 357 L HA -0.147 4.193 4.340 0.000 0.000 0.207 357 L C 1.186 177.618 176.870 -0.731 0.000 1.078 357 L CA 1.354 55.739 54.840 -0.758 0.000 0.749 357 L CB -0.098 41.136 42.059 -1.375 0.000 0.901 357 L HN 0.300 nan 8.230 nan 0.000 0.433 358 Y N -2.104 118.055 120.300 -0.235 0.000 2.527 358 Y HA 0.399 4.949 4.550 0.000 0.000 0.247 358 Y C 1.254 176.843 175.900 -0.518 0.000 1.138 358 Y CA -0.031 57.896 58.100 -0.288 0.000 1.228 358 Y CB 0.292 38.630 38.460 -0.204 0.000 1.252 358 Y HN -0.011 nan 8.280 nan 0.000 0.531 359 A N -0.642 121.898 122.820 -0.467 0.000 2.624 359 A HA 0.586 4.906 4.320 0.000 0.000 0.287 359 A C 1.683 179.141 177.584 -0.210 0.000 1.087 359 A CA 0.281 52.027 52.037 -0.484 0.000 0.964 359 A CB -0.522 17.978 19.000 -0.833 0.000 1.231 359 A HN 0.501 nan 8.150 nan 0.000 0.551 360 G N -0.057 108.646 108.800 -0.161 0.000 2.166 360 G HA2 -0.261 3.699 3.960 0.000 0.000 0.260 360 G HA3 -0.261 3.699 3.960 0.000 0.000 0.260 360 G C 0.556 175.411 174.900 -0.075 0.000 0.986 360 G CA 0.790 45.834 45.100 -0.093 0.000 0.683 360 G HN 1.182 nan 8.290 nan 0.000 0.527 361 S N -0.665 114.980 115.700 -0.091 0.000 2.593 361 S HA 0.541 5.011 4.470 0.000 0.000 0.269 361 S C 1.599 176.170 174.600 -0.049 0.000 1.334 361 S CA 1.196 59.361 58.200 -0.058 0.000 1.015 361 S CB 0.962 64.129 63.200 -0.055 0.000 0.912 361 S HN 1.269 nan 8.310 nan 0.000 0.541 362 T N 0.744 115.280 114.554 -0.030 0.000 3.091 362 T HA 0.289 4.639 4.350 0.000 0.000 0.277 362 T C -0.158 174.534 174.700 -0.013 0.000 0.996 362 T CA -0.300 61.788 62.100 -0.021 0.000 0.897 362 T CB -0.186 68.674 68.868 -0.014 0.000 1.109 362 T HN 0.275 nan 8.240 nan 0.000 0.534 363 V N 2.559 122.463 119.914 -0.016 0.000 2.488 363 V HA 0.389 4.509 4.120 0.000 0.000 0.277 363 V C 0.224 176.312 176.094 -0.010 0.000 1.046 363 V CA -0.439 61.853 62.300 -0.013 0.000 0.986 363 V CB 0.789 32.603 31.823 -0.015 0.000 0.989 363 V HN 0.396 nan 8.190 nan 0.000 0.475 364 K N 2.574 122.972 120.400 -0.004 0.000 2.139 364 K HA 0.482 4.802 4.320 0.000 0.000 0.243 364 K C -0.446 176.141 176.600 -0.022 0.000 0.983 364 K CA -0.578 55.714 56.287 0.008 0.000 0.890 364 K CB 1.544 34.064 32.500 0.034 0.000 1.090 364 K HN 0.699 nan 8.250 nan 0.000 0.445 365 C N 1.962 121.241 119.300 -0.035 0.000 2.576 365 C HA 0.121 4.581 4.460 0.000 0.000 0.401 365 C C -0.246 174.617 174.990 -0.212 0.000 1.314 365 C CA -0.212 58.695 59.018 -0.186 0.000 1.855 365 C CB -0.673 26.890 27.740 -0.296 0.000 2.537 365 C HN 0.621 nan 8.230 nan 0.000 0.578 366 D N 3.748 124.015 120.400 -0.222 0.000 2.396 366 D HA 0.222 4.862 4.640 0.000 0.000 0.225 366 D C -0.114 176.085 176.300 -0.168 0.000 1.121 366 D CA -0.095 53.839 54.000 -0.110 0.000 0.853 366 D CB 0.351 41.114 40.800 -0.061 0.000 1.043 366 D HN 0.682 nan 8.370 nan 0.000 0.500 367 Y N 1.467 121.764 120.300 -0.005 0.000 2.461 367 Y HA 0.110 4.660 4.550 0.000 0.000 0.277 367 Y C 0.744 176.637 175.900 -0.012 0.000 1.182 367 Y CA -0.109 57.986 58.100 -0.007 0.000 1.276 367 Y CB 0.443 38.899 38.460 -0.005 0.000 1.087 367 Y HN 0.185 nan 8.280 nan 0.000 0.519 368 E N 0.875 121.135 120.200 0.100 0.000 2.266 368 E HA 0.096 4.446 4.350 0.000 0.000 0.277 368 E C -0.001 176.615 176.600 0.025 0.000 1.018 368 E CA -0.316 56.120 56.400 0.060 0.000 0.840 368 E CB 0.488 30.218 29.700 0.049 0.000 1.082 368 E HN 0.240 nan 8.360 nan 0.000 0.395 369 N N 0.239 118.951 118.700 0.020 0.000 2.714 369 N HA -0.162 4.578 4.740 0.000 0.000 0.252 369 N C -0.604 174.895 175.510 -0.020 0.000 1.014 369 N CA 0.441 53.490 53.050 -0.000 0.000 0.735 369 N CB -1.408 37.078 38.487 -0.002 0.000 0.924 369 N HN 0.164 nan 8.380 nan 0.000 0.540 370 V N 1.631 121.538 119.914 -0.012 0.000 2.470 370 V HA 0.206 4.327 4.120 0.000 0.000 0.276 370 V C -1.087 174.984 176.094 -0.038 0.000 1.040 370 V CA -0.957 61.328 62.300 -0.025 0.000 1.008 370 V CB 0.894 32.713 31.823 -0.006 0.000 0.990 370 V HN 0.159 nan 8.190 nan 0.000 0.477 371 P HA 0.348 nan 4.420 nan 0.000 0.274 371 P C -0.354 176.910 177.300 -0.060 0.000 1.231 371 P CA -0.028 63.035 63.100 -0.061 0.000 0.790 371 P CB 1.086 32.745 31.700 -0.067 0.000 0.951 372 T N -2.400 112.104 114.554 -0.083 0.000 2.865 372 T HA 0.652 5.002 4.350 0.000 0.000 0.294 372 T C -0.840 173.745 174.700 -0.193 0.000 1.119 372 T CA -0.639 61.399 62.100 -0.104 0.000 1.007 372 T CB 1.337 70.171 68.868 -0.057 0.000 1.225 372 T HN 0.312 nan 8.240 nan 0.000 0.515 373 T N 1.203 115.580 114.554 -0.296 0.000 2.991 373 T HA 0.519 4.869 4.350 0.000 0.000 0.303 373 T C -0.740 173.524 174.700 -0.726 0.000 1.015 373 T CA -0.572 61.215 62.100 -0.522 0.000 1.007 373 T CB 1.505 70.003 68.868 -0.617 0.000 1.034 373 T HN 0.687 nan 8.240 nan 0.000 0.446 374 V N 4.170 123.777 119.914 -0.512 0.000 2.406 374 V HA 0.329 4.449 4.120 0.000 0.000 0.272 374 V C -0.215 175.650 176.094 -0.382 0.000 1.043 374 V CA -0.425 61.665 62.300 -0.351 0.000 0.915 374 V CB 0.267 31.994 31.823 -0.159 0.000 0.988 374 V HN 0.895 nan 8.190 nan 0.000 0.466 375 F N 3.270 123.201 119.950 -0.032 0.000 2.871 375 F HA 0.169 4.696 4.527 0.000 0.000 0.317 375 F C 1.574 177.220 175.800 -0.256 0.000 1.193 375 F CA -0.581 57.270 58.000 -0.248 0.000 1.311 375 F CB -0.398 38.373 39.000 -0.380 0.000 1.380 375 F HN 0.557 nan 8.300 nan 0.000 0.557 376 T N -2.391 112.187 114.554 0.039 0.000 2.748 376 T HA 0.081 4.431 4.350 0.000 0.000 0.304 376 T C -1.507 173.299 174.700 0.177 0.000 1.041 376 T CA -1.471 60.694 62.100 0.109 0.000 1.033 376 T CB 0.772 69.699 68.868 0.100 0.000 0.995 376 T HN -0.031 nan 8.240 nan 0.000 0.536 377 P HA -0.049 nan 4.420 nan 0.000 0.216 377 P C 0.317 177.746 177.300 0.214 0.000 1.157 377 P CA 0.674 63.949 63.100 0.291 0.000 0.880 377 P CB -0.030 31.840 31.700 0.283 0.000 0.791 378 L N 0.247 121.481 121.223 0.018 0.000 2.257 378 L HA 0.215 4.555 4.340 0.000 0.000 0.290 378 L C 0.111 177.026 176.870 0.076 0.000 1.044 378 L CA -0.567 54.236 54.840 -0.061 0.000 0.810 378 L CB 0.124 41.889 42.059 -0.490 0.000 1.193 378 L HN -0.100 nan 8.230 nan 0.000 0.425 379 E N 3.500 123.800 120.200 0.168 0.000 2.383 379 E HA 0.106 4.456 4.350 0.000 0.000 0.264 379 E C -1.524 175.182 176.600 0.175 0.000 1.050 379 E CA -0.093 56.395 56.400 0.146 0.000 0.896 379 E CB 0.954 30.768 29.700 0.189 0.000 0.982 379 E HN 0.472 nan 8.360 nan 0.000 0.424 380 Y N 0.747 121.017 120.300 -0.050 0.000 2.331 380 Y HA 0.499 5.049 4.550 0.000 0.000 0.334 380 Y C -0.451 175.428 175.900 -0.035 0.000 0.960 380 Y CA -0.955 57.137 58.100 -0.013 0.000 1.130 380 Y CB 1.415 39.851 38.460 -0.040 0.000 1.164 380 Y HN 0.486 nan 8.280 nan 0.000 0.458 381 G N 3.606 112.261 108.800 -0.241 0.000 2.416 381 G HA2 0.747 4.707 3.960 0.000 0.000 0.324 381 G HA3 0.747 4.707 3.960 0.000 0.000 0.324 381 G C -1.674 172.981 174.900 -0.408 0.000 1.194 381 G CA -0.492 44.433 45.100 -0.292 0.000 0.922 381 G HN 0.985 nan 8.290 nan 0.000 0.467 382 A N 0.375 122.961 122.820 -0.390 0.000 2.515 382 A HA 0.758 5.079 4.320 0.000 0.000 0.298 382 A C -1.016 176.467 177.584 -0.168 0.000 1.059 382 A CA -0.644 51.182 52.037 -0.350 0.000 0.698 382 A CB 1.699 20.492 19.000 -0.345 0.000 1.289 382 A HN 1.657 nan 8.150 nan 0.000 0.404 383 C N 1.503 120.707 119.300 -0.159 0.000 2.752 383 C HA 0.814 5.274 4.460 0.000 0.000 0.360 383 C C 0.666 175.613 174.990 -0.072 0.000 1.081 383 C CA 1.256 60.224 59.018 -0.083 0.000 1.272 383 C CB 0.416 28.115 27.740 -0.068 0.000 1.754 383 C HN 2.931 nan 8.230 nan 0.000 0.483 384 G N 4.537 113.319 108.800 -0.029 0.000 2.484 384 G HA2 -0.100 3.860 3.960 0.000 0.000 0.225 384 G HA3 -0.100 3.860 3.960 0.000 0.000 0.225 384 G C -0.872 174.070 174.900 0.070 0.000 1.250 384 G CA -0.218 44.896 45.100 0.024 0.000 0.926 384 G HN 1.084 nan 8.290 nan 0.000 0.581 385 L N 1.536 122.836 121.223 0.129 0.000 2.397 385 L HA 0.476 4.816 4.340 0.000 0.000 0.271 385 L C 1.674 178.725 176.870 0.300 0.000 1.148 385 L CA 0.095 55.038 54.840 0.170 0.000 0.825 385 L CB 1.275 43.438 42.059 0.173 0.000 1.117 385 L HN 0.992 nan 8.230 nan 0.000 0.456 386 S N 1.015 116.871 115.700 0.259 0.000 2.584 386 S HA -0.004 4.466 4.470 0.000 0.000 0.270 386 S C 0.943 175.626 174.600 0.138 0.000 1.346 386 S CA -0.343 57.995 58.200 0.231 0.000 1.018 386 S CB 1.181 64.461 63.200 0.133 0.000 0.899 386 S HN 0.781 nan 8.310 nan 0.000 0.542 387 E N 1.160 121.390 120.200 0.049 0.000 2.070 387 E HA -0.258 4.092 4.350 0.000 0.000 0.197 387 E C 1.629 178.255 176.600 0.043 0.000 1.004 387 E CA 1.945 58.370 56.400 0.041 0.000 0.805 387 E CB -0.269 29.423 29.700 -0.014 0.000 0.744 387 E HN 0.865 nan 8.360 nan 0.000 0.451 388 E N 0.163 120.378 120.200 0.026 0.000 2.058 388 E HA -0.222 4.128 4.350 0.000 0.000 0.194 388 E C 2.152 178.768 176.600 0.027 0.000 0.997 388 E CA 1.636 58.049 56.400 0.021 0.000 0.801 388 E CB -0.255 29.453 29.700 0.015 0.000 0.746 388 E HN -0.029 nan 8.360 nan 0.000 0.450 389 K N 0.098 120.520 120.400 0.037 0.000 2.148 389 K HA 0.065 4.385 4.320 0.000 0.000 0.204 389 K C 2.089 178.702 176.600 0.022 0.000 1.050 389 K CA 0.949 57.248 56.287 0.020 0.000 0.942 389 K CB -0.555 31.960 32.500 0.024 0.000 0.724 389 K HN 0.315 nan 8.250 nan 0.000 0.446 390 A N 0.197 123.069 122.820 0.087 0.000 1.898 390 A HA -0.042 4.278 4.320 0.000 0.000 0.216 390 A C 2.354 180.035 177.584 0.162 0.000 1.181 390 A CA 1.865 54.008 52.037 0.177 0.000 0.620 390 A CB -0.624 18.513 19.000 0.229 0.000 0.819 390 A HN 0.312 nan 8.150 nan 0.000 0.442 391 V N 0.028 119.999 119.914 0.096 0.000 2.358 391 V HA -0.249 3.871 4.120 0.000 0.000 0.246 391 V C 2.485 178.600 176.094 0.035 0.000 1.047 391 V CA 2.169 64.513 62.300 0.072 0.000 1.035 391 V CB -0.744 31.103 31.823 0.040 0.000 0.658 391 V HN 0.729 nan 8.190 nan 0.000 0.452 392 E N 0.358 120.559 120.200 0.002 0.000 2.058 392 E HA -0.300 4.050 4.350 0.000 0.000 0.194 392 E C 2.319 178.870 176.600 -0.080 0.000 0.997 392 E CA 1.787 58.168 56.400 -0.031 0.000 0.801 392 E CB -0.034 29.644 29.700 -0.037 0.000 0.746 392 E HN 0.568 nan 8.360 nan 0.000 0.450 393 K N -0.865 119.437 120.400 -0.163 0.000 2.031 393 K HA -0.081 4.239 4.320 0.000 0.000 0.205 393 K C 1.593 177.954 176.600 -0.399 0.000 1.049 393 K CA 1.335 57.391 56.287 -0.385 0.000 0.939 393 K CB 0.011 32.093 32.500 -0.697 0.000 0.717 393 K HN 0.108 nan 8.250 nan 0.000 0.438 394 F N -0.371 119.585 119.950 0.010 0.000 2.717 394 F HA 0.300 4.827 4.527 0.000 0.000 0.297 394 F C 0.503 176.306 175.800 0.006 0.000 1.113 394 F CA 0.075 58.080 58.000 0.010 0.000 1.319 394 F CB 1.482 40.490 39.000 0.014 0.000 1.097 394 F HN 0.155 nan 8.300 nan 0.000 0.595 395 G N 1.546 110.439 108.800 0.154 0.000 3.209 395 G HA2 -0.185 3.775 3.960 0.000 0.000 0.686 395 G HA3 -0.185 3.775 3.960 0.000 0.000 0.686 395 G C 0.354 175.303 174.900 0.083 0.000 1.065 395 G CA -0.331 44.823 45.100 0.091 0.000 0.812 395 G HN 0.100 nan 8.290 nan 0.000 0.573 396 E N 0.900 121.129 120.200 0.048 0.000 2.136 396 E HA -0.251 4.100 4.350 0.000 0.000 0.202 396 E C 2.330 178.941 176.600 0.018 0.000 1.019 396 E CA 2.175 58.593 56.400 0.029 0.000 0.819 396 E CB 0.037 29.744 29.700 0.012 0.000 0.739 396 E HN 0.907 nan 8.360 nan 0.000 0.458 397 E N -0.676 119.536 120.200 0.020 0.000 2.347 397 E HA -0.131 4.219 4.350 0.000 0.000 0.196 397 E C 1.093 177.697 176.600 0.007 0.000 1.008 397 E CA 0.715 57.120 56.400 0.009 0.000 0.852 397 E CB -0.130 29.576 29.700 0.011 0.000 0.783 397 E HN 0.137 nan 8.360 nan 0.000 0.505 398 N N 0.268 118.982 118.700 0.023 0.000 2.236 398 N HA 0.130 4.870 4.740 0.000 0.000 0.196 398 N C -0.512 174.989 175.510 -0.014 0.000 1.114 398 N CA 0.051 53.107 53.050 0.009 0.000 0.859 398 N CB 0.651 39.161 38.487 0.038 0.000 0.982 398 N HN 0.137 nan 8.380 nan 0.000 0.493 399 I N 1.098 121.669 120.570 0.001 0.000 2.354 399 I HA 0.183 4.353 4.170 0.000 0.000 0.292 399 I C -0.003 176.081 176.117 -0.055 0.000 0.989 399 I CA -0.895 60.400 61.300 -0.010 0.000 1.188 399 I CB 1.654 39.677 38.000 0.040 0.000 1.342 399 I HN -0.179 nan 8.210 nan 0.000 0.457 400 E N 4.841 124.989 120.200 -0.087 0.000 2.171 400 E HA 0.608 4.958 4.350 0.000 0.000 0.271 400 E C -1.420 175.044 176.600 -0.227 0.000 0.916 400 E CA -0.455 55.821 56.400 -0.208 0.000 0.774 400 E CB 1.501 31.026 29.700 -0.292 0.000 1.128 400 E HN 0.286 nan 8.360 nan 0.000 0.403 401 V N 5.731 125.475 119.914 -0.284 0.000 2.313 401 V HA 0.296 4.416 4.120 0.000 0.000 0.278 401 V C -0.916 175.024 176.094 -0.257 0.000 1.017 401 V CA -0.683 61.503 62.300 -0.190 0.000 0.823 401 V CB 0.056 31.778 31.823 -0.168 0.000 1.010 401 V HN 0.632 nan 8.190 nan 0.000 0.443 402 Y N 4.807 125.111 120.300 0.007 0.000 2.313 402 Y HA 0.605 5.155 4.550 0.000 0.000 0.332 402 Y C 0.736 176.685 175.900 0.082 0.000 1.071 402 Y CA -0.194 57.937 58.100 0.053 0.000 1.169 402 Y CB 0.926 39.413 38.460 0.044 0.000 1.192 402 Y HN 0.842 nan 8.280 nan 0.000 0.487 403 H N -1.093 117.994 119.070 0.029 0.000 3.008 403 H HA 0.841 5.397 4.556 0.000 0.000 0.354 403 H C -1.482 173.738 175.328 -0.180 0.000 1.252 403 H CA -1.215 54.726 56.048 -0.178 0.000 1.117 403 H CB 2.213 31.838 29.762 -0.228 0.000 1.857 403 H HN 0.503 nan 8.280 nan 0.000 0.547 404 S N 0.678 116.104 115.700 -0.457 0.000 2.556 404 S HA 0.269 4.739 4.470 0.000 0.000 0.280 404 S C -1.825 172.588 174.600 -0.312 0.000 1.141 404 S CA -0.718 57.281 58.200 -0.334 0.000 0.883 404 S CB 0.801 63.901 63.200 -0.166 0.000 1.103 404 S HN 0.540 nan 8.310 nan 0.000 0.453 405 Y N 2.760 123.042 120.300 -0.031 0.000 2.298 405 Y HA 0.622 5.172 4.550 0.000 0.000 0.329 405 Y C 0.348 176.346 175.900 0.163 0.000 1.293 405 Y CA 0.165 58.301 58.100 0.060 0.000 1.388 405 Y CB 0.783 39.266 38.460 0.038 0.000 1.309 405 Y HN 0.650 nan 8.280 nan 0.000 0.544 406 F N -1.421 118.637 119.950 0.179 0.000 2.662 406 F HA 0.545 5.072 4.527 0.000 0.000 0.312 406 F C -1.957 173.972 175.800 0.214 0.000 1.113 406 F CA -1.880 56.194 58.000 0.123 0.000 0.951 406 F CB 1.117 40.112 39.000 -0.009 0.000 1.344 406 F HN 0.367 nan 8.300 nan 0.000 0.462 407 W N 4.283 125.663 121.300 0.134 0.000 2.453 407 W HA 0.650 5.310 4.660 0.000 0.000 0.310 407 W C -2.911 173.600 176.519 -0.013 0.000 1.000 407 W CA -3.358 53.999 57.345 0.020 0.000 1.367 407 W CB 1.054 30.567 29.460 0.088 0.000 1.269 407 W HN 0.338 nan 8.180 nan 0.000 0.418 408 P HA -0.111 nan 4.420 nan 0.000 0.261 408 P C 1.091 178.162 177.300 -0.382 0.000 1.183 408 P CA 0.095 62.981 63.100 -0.358 0.000 0.761 408 P CB 0.710 31.855 31.700 -0.925 0.000 0.785 409 L N 4.312 125.388 121.223 -0.245 0.000 2.081 409 L HA -0.242 4.098 4.340 0.000 0.000 0.212 409 L C 1.748 178.534 176.870 -0.140 0.000 1.080 409 L CA 2.017 56.717 54.840 -0.233 0.000 0.754 409 L CB -0.768 41.202 42.059 -0.149 0.000 0.893 409 L HN 0.311 nan 8.230 nan 0.000 0.433 410 E N -1.421 118.754 120.200 -0.042 0.000 2.209 410 E HA -0.234 4.116 4.350 0.000 0.000 0.196 410 E C 1.552 178.395 176.600 0.405 0.000 0.993 410 E CA 1.449 57.962 56.400 0.189 0.000 0.819 410 E CB -0.283 29.524 29.700 0.179 0.000 0.745 410 E HN 0.584 nan 8.360 nan 0.000 0.477 411 W N 0.094 121.354 121.300 -0.066 0.000 3.197 411 W HA 0.129 4.789 4.660 0.000 0.000 0.274 411 W C 1.941 178.367 176.519 -0.154 0.000 1.297 411 W CA 0.973 58.311 57.345 -0.013 0.000 1.662 411 W CB -0.890 28.649 29.460 0.132 0.000 1.106 411 W HN 0.138 nan 8.180 nan 0.000 0.663 412 T N -2.585 111.794 114.554 -0.290 0.000 2.857 412 T HA -0.101 4.249 4.350 0.000 0.000 0.266 412 T C 1.869 176.482 174.700 -0.144 0.000 1.048 412 T CA 1.051 62.830 62.100 -0.534 0.000 1.139 412 T CB -0.443 67.962 68.868 -0.772 0.000 0.874 412 T HN 0.053 nan 8.240 nan 0.000 0.455 413 I N 1.926 122.398 120.570 -0.164 0.000 2.233 413 I HA 0.018 4.188 4.170 0.000 0.000 0.243 413 I C -0.595 175.426 176.117 -0.160 0.000 1.093 413 I CA 0.584 61.732 61.300 -0.254 0.000 1.380 413 I CB -0.851 36.780 38.000 -0.615 0.000 1.067 413 I HN 0.189 nan 8.210 nan 0.000 0.413 414 P HA -0.161 nan 4.420 nan 0.000 0.221 414 P C 0.490 177.847 177.300 0.095 0.000 1.145 414 P CA 1.026 64.154 63.100 0.047 0.000 0.795 414 P CB -0.000 31.775 31.700 0.125 0.000 0.775 415 S N -0.581 115.220 115.700 0.168 0.000 3.766 415 S HA -0.163 4.307 4.470 0.000 0.000 0.416 415 S C 0.018 174.789 174.600 0.286 0.000 0.902 415 S CA 0.390 58.760 58.200 0.283 0.000 1.283 415 S CB -1.616 61.688 63.200 0.175 0.000 0.891 415 S HN 0.522 nan 8.310 nan 0.000 0.556 416 R N 0.504 121.240 120.500 0.393 0.000 2.707 416 R HA 0.647 4.987 4.340 0.000 0.000 0.272 416 R C -0.895 175.618 176.300 0.355 0.000 1.011 416 R CA -0.317 55.925 56.100 0.236 0.000 0.893 416 R CB 0.631 30.962 30.300 0.051 0.000 1.233 416 R HN 0.095 nan 8.270 nan 0.000 0.464 417 D N 0.461 120.963 120.400 0.170 0.000 2.699 417 D HA -0.183 4.457 4.640 0.000 0.000 0.239 417 D C -0.784 175.647 176.300 0.217 0.000 1.136 417 D CA 1.039 55.162 54.000 0.206 0.000 0.668 417 D CB -0.819 40.055 40.800 0.123 0.000 1.060 417 D HN 0.648 nan 8.370 nan 0.000 0.429 418 N N 1.176 119.704 118.700 -0.287 0.000 2.444 418 N HA 0.082 4.822 4.740 0.000 0.000 0.255 418 N C 0.527 175.805 175.510 -0.387 0.000 1.255 418 N CA 0.036 52.577 53.050 -0.849 0.000 0.933 418 N CB 0.370 38.047 38.487 -1.351 0.000 1.143 418 N HN 0.058 nan 8.380 nan 0.000 0.453 419 N N 0.251 118.740 118.700 -0.351 0.000 2.716 419 N HA -0.212 4.528 4.740 0.000 0.000 0.250 419 N C -0.202 175.128 175.510 -0.300 0.000 1.033 419 N CA 0.762 53.556 53.050 -0.427 0.000 0.727 419 N CB -0.404 37.720 38.487 -0.604 0.000 0.950 419 N HN 0.600 nan 8.380 nan 0.000 0.541 420 K N -0.769 119.658 120.400 0.045 0.000 2.410 420 K HA 0.293 4.613 4.320 0.000 0.000 0.204 420 K C 0.227 176.964 176.600 0.228 0.000 1.268 420 K CA 0.504 56.913 56.287 0.204 0.000 0.896 420 K CB 0.292 32.978 32.500 0.311 0.000 1.401 420 K HN 0.295 nan 8.250 nan 0.000 0.479 421 C N 1.793 121.099 119.300 0.011 0.000 2.662 421 C HA 0.285 4.745 4.460 0.000 0.000 0.420 421 C C -0.145 174.655 174.990 -0.317 0.000 1.314 421 C CA -0.213 58.561 59.018 -0.407 0.000 1.963 421 C CB -1.069 25.890 27.740 -1.302 0.000 2.686 421 C HN 0.408 nan 8.230 nan 0.000 0.609 422 Y N 0.924 121.045 120.300 -0.298 0.000 2.441 422 Y HA 0.583 5.133 4.550 0.000 0.000 0.334 422 Y C -0.457 175.501 175.900 0.097 0.000 1.061 422 Y CA -0.466 57.538 58.100 -0.159 0.000 1.032 422 Y CB 0.988 39.302 38.460 -0.243 0.000 1.266 422 Y HN 0.855 nan 8.280 nan 0.000 0.441 423 A N 6.443 128.981 122.820 -0.470 0.000 2.356 423 A HA 0.797 5.117 4.320 0.000 0.000 0.310 423 A C -1.532 175.721 177.584 -0.552 0.000 1.075 423 A CA -0.810 50.982 52.037 -0.409 0.000 0.746 423 A CB 1.053 19.577 19.000 -0.793 0.000 1.221 423 A HN 0.705 nan 8.150 nan 0.000 0.443 424 K N 1.917 122.199 120.400 -0.198 0.000 2.502 424 K HA 0.791 5.111 4.320 0.000 0.000 0.257 424 K C -1.260 175.392 176.600 0.085 0.000 0.938 424 K CA -0.650 55.607 56.287 -0.050 0.000 0.819 424 K CB 1.787 34.280 32.500 -0.012 0.000 1.333 424 K HN 0.799 nan 8.250 nan 0.000 0.434 425 I N -0.629 120.023 120.570 0.137 0.000 2.646 425 I HA 0.550 4.720 4.170 0.000 0.000 0.299 425 I C -1.105 175.118 176.117 0.176 0.000 1.036 425 I CA -1.484 59.908 61.300 0.152 0.000 1.074 425 I CB 1.611 39.711 38.000 0.167 0.000 1.258 425 I HN 0.469 nan 8.210 nan 0.000 0.430 426 I N 4.501 125.173 120.570 0.170 0.000 2.362 426 I HA 0.390 4.561 4.170 0.000 0.000 0.289 426 I C -0.587 175.600 176.117 0.116 0.000 0.994 426 I CA 0.019 61.401 61.300 0.136 0.000 1.158 426 I CB 1.394 39.490 38.000 0.159 0.000 1.315 426 I HN 0.667 nan 8.210 nan 0.000 0.451 427 C N 4.536 123.892 119.300 0.093 0.000 2.411 427 C HA 0.490 4.950 4.460 0.000 0.000 0.330 427 C C 0.289 175.257 174.990 -0.036 0.000 1.224 427 C CA -0.801 58.255 59.018 0.062 0.000 1.770 427 C CB 1.194 29.035 27.740 0.168 0.000 2.297 427 C HN 0.720 nan 8.230 nan 0.000 0.507 428 N N 1.159 119.777 118.700 -0.138 0.000 2.462 428 N HA 0.204 4.944 4.740 0.000 0.000 0.242 428 N C 0.913 176.314 175.510 -0.183 0.000 1.010 428 N CA -0.072 52.799 53.050 -0.299 0.000 0.939 428 N CB 0.978 39.051 38.487 -0.691 0.000 1.127 428 N HN 0.681 nan 8.380 nan 0.000 0.509 429 T N 1.022 115.507 114.554 -0.114 0.000 2.915 429 T HA -0.097 4.253 4.350 0.000 0.000 0.269 429 T C 1.604 176.266 174.700 -0.063 0.000 1.071 429 T CA 0.909 62.975 62.100 -0.057 0.000 1.132 429 T CB 0.087 68.939 68.868 -0.027 0.000 0.878 429 T HN 0.339 nan 8.240 nan 0.000 0.479 430 K N 1.166 121.512 120.400 -0.090 0.000 2.515 430 K HA -0.005 4.315 4.320 0.000 0.000 0.196 430 K C 0.740 177.297 176.600 -0.071 0.000 1.038 430 K CA 0.687 56.937 56.287 -0.062 0.000 0.967 430 K CB -0.211 32.268 32.500 -0.035 0.000 0.780 430 K HN 0.433 nan 8.250 nan 0.000 0.483 431 D N -0.252 120.081 120.400 -0.111 0.000 2.739 431 D HA 0.214 4.854 4.640 0.000 0.000 0.335 431 D C -0.757 175.504 176.300 -0.065 0.000 1.216 431 D CA -0.418 53.529 54.000 -0.088 0.000 0.808 431 D CB -0.915 39.811 40.800 -0.123 0.000 1.121 431 D HN 0.131 nan 8.370 nan 0.000 0.499 432 N N 1.829 120.505 118.700 -0.040 0.000 2.725 432 N HA -0.224 4.516 4.740 0.000 0.000 0.249 432 N C -0.785 174.716 175.510 -0.015 0.000 1.103 432 N CA 1.067 54.105 53.050 -0.021 0.000 0.707 432 N CB -0.632 37.845 38.487 -0.017 0.000 1.043 432 N HN 0.475 nan 8.380 nan 0.000 0.553 433 E N -2.203 117.987 120.200 -0.018 0.000 2.360 433 E HA -0.332 4.018 4.350 0.000 0.000 0.238 433 E C 0.073 176.672 176.600 -0.002 0.000 1.186 433 E CA 0.641 57.047 56.400 0.009 0.000 0.719 433 E CB -0.738 28.998 29.700 0.059 0.000 1.236 433 E HN 0.444 nan 8.360 nan 0.000 0.386 434 R N 0.445 120.920 120.500 -0.041 0.000 2.585 434 R HA 0.072 4.412 4.340 0.000 0.000 0.275 434 R C -0.353 175.940 176.300 -0.011 0.000 1.018 434 R CA 0.191 56.271 56.100 -0.034 0.000 1.072 434 R CB 0.690 30.952 30.300 -0.062 0.000 0.953 434 R HN 0.042 nan 8.270 nan 0.000 0.419 435 V N 7.686 127.611 119.914 0.019 0.000 2.352 435 V HA 0.002 4.122 4.120 0.000 0.000 0.253 435 V C 1.149 177.275 176.094 0.054 0.000 1.083 435 V CA 0.298 62.629 62.300 0.051 0.000 0.993 435 V CB 0.566 32.425 31.823 0.059 0.000 1.111 435 V HN 0.816 nan 8.190 nan 0.000 0.490 436 V N 2.194 122.149 119.914 0.068 0.000 3.506 436 V HA 0.519 4.639 4.120 0.000 0.000 0.263 436 V C 0.840 177.012 176.094 0.130 0.000 1.203 436 V CA 0.910 63.273 62.300 0.106 0.000 1.133 436 V CB -0.033 31.885 31.823 0.158 0.000 0.802 436 V HN 0.706 nan 8.190 nan 0.000 0.459 437 G N -0.354 108.529 108.800 0.137 0.000 2.731 437 G HA2 0.597 4.557 3.960 0.000 0.000 0.298 437 G HA3 0.597 4.557 3.960 0.000 0.000 0.298 437 G C -1.950 173.037 174.900 0.144 0.000 1.424 437 G CA -0.565 44.626 45.100 0.153 0.000 1.029 437 G HN 0.217 nan 8.290 nan 0.000 0.518 438 F N 2.894 122.707 119.950 -0.229 0.000 2.539 438 F HA 0.669 5.196 4.527 0.000 0.000 0.318 438 F C -0.888 174.615 175.800 -0.495 0.000 1.135 438 F CA -0.655 57.167 58.000 -0.297 0.000 0.915 438 F CB 1.788 40.576 39.000 -0.353 0.000 1.176 438 F HN 0.461 nan 8.300 nan 0.000 0.440 439 H N 5.186 123.931 119.070 -0.542 0.000 2.877 439 H HA 0.600 5.156 4.556 0.000 0.000 0.347 439 H C -1.515 173.729 175.328 -0.140 0.000 1.042 439 H CA -0.734 55.216 56.048 -0.165 0.000 1.276 439 H CB 2.184 32.047 29.762 0.167 0.000 1.681 439 H HN 0.558 nan 8.280 nan 0.000 0.521 440 V N 4.860 124.860 119.914 0.143 0.000 2.686 440 V HA 0.351 4.471 4.120 0.000 0.000 0.306 440 V C -1.458 174.877 176.094 0.402 0.000 1.065 440 V CA -0.724 61.751 62.300 0.291 0.000 0.894 440 V CB 2.402 34.424 31.823 0.332 0.000 1.004 440 V HN 0.506 nan 8.190 nan 0.000 0.424 441 L N 7.049 128.503 121.223 0.385 0.000 2.316 441 L HA 1.035 5.375 4.340 0.000 0.000 0.280 441 L C 0.027 177.023 176.870 0.210 0.000 1.006 441 L CA 1.077 56.095 54.840 0.297 0.000 0.836 441 L CB 0.951 43.145 42.059 0.225 0.000 1.221 441 L HN 1.001 nan 8.230 nan 0.000 0.418 442 G N 4.090 113.026 108.800 0.226 0.000 2.320 442 G HA2 0.355 4.315 3.960 0.000 0.000 0.296 442 G HA3 0.355 4.315 3.960 0.000 0.000 0.296 442 G C -3.420 171.623 174.900 0.239 0.000 1.306 442 G CA -0.767 44.447 45.100 0.191 0.000 0.836 442 G HN 0.326 nan 8.290 nan 0.000 0.517 443 P HA 0.229 nan 4.420 nan 0.000 0.271 443 P C -0.137 177.298 177.300 0.226 0.000 1.218 443 P CA -0.131 63.119 63.100 0.250 0.000 0.780 443 P CB 0.346 32.176 31.700 0.215 0.000 0.901 444 N N 0.271 119.116 118.700 0.240 0.000 2.727 444 N HA -0.242 4.498 4.740 0.000 0.000 0.249 444 N C 1.008 176.644 175.510 0.210 0.000 1.048 444 N CA 0.942 54.122 53.050 0.217 0.000 0.714 444 N CB -1.395 37.188 38.487 0.160 0.000 0.959 444 N HN 0.570 nan 8.380 nan 0.000 0.544 445 A N 0.066 123.016 122.820 0.217 0.000 1.940 445 A HA -0.030 4.290 4.320 0.000 0.000 0.219 445 A C 2.288 179.960 177.584 0.147 0.000 1.176 445 A CA 2.177 54.328 52.037 0.191 0.000 0.631 445 A CB -0.701 18.387 19.000 0.147 0.000 0.814 445 A HN 0.537 nan 8.150 nan 0.000 0.446 446 G N -0.494 108.383 108.800 0.127 0.000 2.402 446 G HA2 -0.162 3.799 3.960 0.000 0.000 0.216 446 G HA3 -0.162 3.799 3.960 0.000 0.000 0.216 446 G C 1.355 176.323 174.900 0.113 0.000 1.162 446 G CA 0.895 46.059 45.100 0.107 0.000 0.777 446 G HN 0.506 nan 8.290 nan 0.000 0.539 447 E N 0.549 120.829 120.200 0.132 0.000 2.110 447 E HA -0.081 4.269 4.350 0.000 0.000 0.193 447 E C 2.821 179.474 176.600 0.089 0.000 0.988 447 E CA 0.733 57.188 56.400 0.092 0.000 0.804 447 E CB -0.546 29.207 29.700 0.089 0.000 0.745 447 E HN 0.342 nan 8.360 nan 0.000 0.458 448 V N 1.293 121.299 119.914 0.153 0.000 2.358 448 V HA -0.183 3.937 4.120 0.000 0.000 0.246 448 V C 2.314 178.557 176.094 0.249 0.000 1.047 448 V CA 2.022 64.460 62.300 0.230 0.000 1.035 448 V CB -0.720 31.304 31.823 0.335 0.000 0.658 448 V HN 0.260 nan 8.190 nan 0.000 0.452 449 T N -0.917 113.762 114.554 0.208 0.000 2.904 449 T HA -0.195 4.155 4.350 0.000 0.000 0.267 449 T C 1.876 176.538 174.700 -0.063 0.000 1.059 449 T CA 1.386 63.563 62.100 0.128 0.000 1.137 449 T CB -0.173 68.778 68.868 0.138 0.000 0.879 449 T HN 0.389 nan 8.240 nan 0.000 0.467 450 Q N 1.543 121.317 119.800 -0.044 0.000 2.014 450 Q HA -0.086 4.254 4.340 0.000 0.000 0.207 450 Q C 2.434 178.337 176.000 -0.163 0.000 0.993 450 Q CA 2.387 58.139 55.803 -0.086 0.000 0.850 450 Q CB -1.135 27.570 28.738 -0.055 0.000 0.916 450 Q HN 0.494 nan 8.270 nan 0.000 0.417 451 G N -1.340 107.323 108.800 -0.227 0.000 2.408 451 G HA2 -0.212 3.748 3.960 0.000 0.000 0.217 451 G HA3 -0.212 3.748 3.960 0.000 0.000 0.217 451 G C 1.055 175.684 174.900 -0.452 0.000 1.150 451 G CA 0.681 45.577 45.100 -0.339 0.000 0.776 451 G HN 0.387 nan 8.290 nan 0.000 0.542 452 F N 1.778 121.459 119.950 -0.448 0.000 2.293 452 F HA 0.115 4.642 4.527 0.000 0.000 0.300 452 F C 2.910 178.374 175.800 -0.561 0.000 1.086 452 F CA 0.519 58.108 58.000 -0.684 0.000 1.375 452 F CB -0.278 37.823 39.000 -1.497 0.000 1.045 452 F HN 0.238 nan 8.300 nan 0.000 0.516 453 A N 0.049 122.700 122.820 -0.282 0.000 1.902 453 A HA -0.071 4.249 4.320 0.000 0.000 0.217 453 A C 2.453 179.949 177.584 -0.147 0.000 1.181 453 A CA 1.718 53.641 52.037 -0.190 0.000 0.623 453 A CB -1.203 17.712 19.000 -0.143 0.000 0.818 453 A HN 0.289 nan 8.150 nan 0.000 0.443 454 A N -0.205 122.520 122.820 -0.159 0.000 1.930 454 A HA 0.210 4.530 4.320 0.000 0.000 0.217 454 A C 2.483 179.994 177.584 -0.121 0.000 1.175 454 A CA 1.889 53.847 52.037 -0.131 0.000 0.627 454 A CB -0.949 17.968 19.000 -0.139 0.000 0.815 454 A HN 1.031 nan 8.150 nan 0.000 0.443 455 A N -0.002 122.729 122.820 -0.148 0.000 1.902 455 A HA -0.070 4.250 4.320 0.000 0.000 0.217 455 A C 2.126 179.670 177.584 -0.067 0.000 1.181 455 A CA 1.514 53.489 52.037 -0.103 0.000 0.623 455 A CB -0.587 18.362 19.000 -0.085 0.000 0.818 455 A HN 0.475 nan 8.150 nan 0.000 0.443 456 L N -0.880 120.297 121.223 -0.077 0.000 2.093 456 L HA -0.159 4.181 4.340 0.000 0.000 0.208 456 L C 2.410 179.257 176.870 -0.037 0.000 1.085 456 L CA 1.239 56.050 54.840 -0.048 0.000 0.755 456 L CB -0.634 41.395 42.059 -0.051 0.000 0.904 456 L HN 0.301 nan 8.230 nan 0.000 0.435 457 K N 0.063 120.434 120.400 -0.050 0.000 2.211 457 K HA -0.136 4.184 4.320 0.000 0.000 0.204 457 K C 1.830 178.410 176.600 -0.033 0.000 1.047 457 K CA 1.173 57.437 56.287 -0.039 0.000 0.935 457 K CB -0.371 32.100 32.500 -0.049 0.000 0.728 457 K HN 0.432 nan 8.250 nan 0.000 0.452 458 C N 0.205 119.482 119.300 -0.039 0.000 2.697 458 C HA 0.229 4.689 4.460 0.000 0.000 0.267 458 C C 1.187 176.164 174.990 -0.022 0.000 1.278 458 C CA -0.040 58.959 59.018 -0.032 0.000 1.708 458 C CB -1.001 26.714 27.740 -0.042 0.000 1.860 458 C HN 0.636 nan 8.230 nan 0.000 0.589 459 G N 1.396 110.186 108.800 -0.017 0.000 2.256 459 G HA2 -0.229 3.731 3.960 0.000 0.000 0.272 459 G HA3 -0.229 3.731 3.960 0.000 0.000 0.272 459 G C -0.107 174.788 174.900 -0.008 0.000 1.076 459 G CA 0.129 45.224 45.100 -0.008 0.000 0.882 459 G HN 0.555 nan 8.290 nan 0.000 0.497 460 L N 1.765 122.983 121.223 -0.009 0.000 2.559 460 L HA 0.525 4.865 4.340 0.000 0.000 0.282 460 L C 1.089 177.962 176.870 0.005 0.000 1.232 460 L CA 1.263 56.103 54.840 0.000 0.000 0.885 460 L CB 0.432 42.498 42.059 0.012 0.000 1.131 460 L HN 0.733 nan 8.230 nan 0.000 0.498 461 T N 1.107 115.664 114.554 0.004 0.000 2.940 461 T HA 0.400 4.750 4.350 0.000 0.000 0.288 461 T C 0.766 175.467 174.700 0.001 0.000 1.033 461 T CA -0.466 61.635 62.100 0.002 0.000 1.033 461 T CB 1.586 70.451 68.868 -0.005 0.000 1.079 461 T HN 0.629 nan 8.240 nan 0.000 0.496 462 K N 1.030 121.427 120.400 -0.006 0.000 2.057 462 K HA -0.078 4.242 4.320 0.000 0.000 0.207 462 K C 2.484 179.053 176.600 -0.053 0.000 1.049 462 K CA 1.733 57.993 56.287 -0.045 0.000 0.931 462 K CB -0.788 31.672 32.500 -0.067 0.000 0.714 462 K HN 0.443 nan 8.250 nan 0.000 0.440 463 K N 0.388 120.770 120.400 -0.031 0.000 2.063 463 K HA -0.147 4.173 4.320 0.000 0.000 0.208 463 K C 2.304 178.893 176.600 -0.018 0.000 1.048 463 K CA 2.047 58.319 56.287 -0.025 0.000 0.928 463 K CB -0.377 32.115 32.500 -0.014 0.000 0.713 463 K HN 0.580 nan 8.250 nan 0.000 0.442 464 Q N -0.661 119.133 119.800 -0.010 0.000 2.079 464 Q HA -0.064 4.276 4.340 0.000 0.000 0.200 464 Q C 2.195 178.201 176.000 0.010 0.000 0.974 464 Q CA 1.657 57.459 55.803 -0.002 0.000 0.840 464 Q CB -0.275 28.462 28.738 -0.001 0.000 0.898 464 Q HN 0.278 nan 8.270 nan 0.000 0.430 465 L N 1.457 122.692 121.223 0.019 0.000 2.017 465 L HA -0.188 4.152 4.340 0.000 0.000 0.208 465 L C 1.351 178.239 176.870 0.030 0.000 1.073 465 L CA 1.996 56.868 54.840 0.052 0.000 0.745 465 L CB -0.626 41.467 42.059 0.056 0.000 0.894 465 L HN 0.100 nan 8.230 nan 0.000 0.432 466 D N -0.817 119.574 120.400 -0.015 0.000 2.218 466 D HA -0.139 4.501 4.640 0.000 0.000 0.204 466 D C 2.367 178.661 176.300 -0.011 0.000 0.976 466 D CA 1.379 55.362 54.000 -0.028 0.000 0.853 466 D CB -0.058 40.705 40.800 -0.062 0.000 0.939 466 D HN 0.608 nan 8.370 nan 0.000 0.481 467 S N -1.031 114.666 115.700 -0.005 0.000 2.470 467 S HA -0.009 4.461 4.470 0.000 0.000 0.225 467 S C 1.062 175.664 174.600 0.002 0.000 1.006 467 S CA 0.047 58.245 58.200 -0.004 0.000 0.934 467 S CB -0.242 62.954 63.200 -0.007 0.000 0.778 467 S HN -0.046 nan 8.310 nan 0.000 0.517 468 T N 4.647 119.210 114.554 0.014 0.000 2.901 468 T HA 0.353 4.703 4.350 0.000 0.000 0.301 468 T C 0.102 174.817 174.700 0.025 0.000 1.012 468 T CA -0.313 61.799 62.100 0.019 0.000 1.135 468 T CB 0.326 69.216 68.868 0.037 0.000 0.936 468 T HN 0.159 nan 8.240 nan 0.000 0.539 469 I N 2.762 123.340 120.570 0.014 0.000 2.428 469 I HA 0.310 4.481 4.170 0.000 0.000 0.289 469 I C 1.329 177.464 176.117 0.030 0.000 1.019 469 I CA -0.601 60.708 61.300 0.015 0.000 1.351 469 I CB 0.330 38.333 38.000 0.005 0.000 1.412 469 I HN 0.688 nan 8.210 nan 0.000 0.513 470 G N 6.102 114.925 108.800 0.037 0.000 2.606 470 G HA2 0.469 4.429 3.960 0.000 0.000 0.252 470 G HA3 0.469 4.429 3.960 0.000 0.000 0.252 470 G C -0.122 174.811 174.900 0.055 0.000 1.206 470 G CA -0.582 44.551 45.100 0.057 0.000 0.861 470 G HN 0.545 nan 8.290 nan 0.000 0.561 471 I N 0.428 121.036 120.570 0.064 0.000 2.336 471 I HA 0.243 4.413 4.170 0.000 0.000 0.292 471 I C -0.330 175.849 176.117 0.104 0.000 0.991 471 I CA -0.683 60.655 61.300 0.063 0.000 1.227 471 I CB 1.533 39.551 38.000 0.029 0.000 1.366 471 I HN 0.467 nan 8.210 nan 0.000 0.466 472 H N 7.290 126.357 119.070 -0.005 0.000 2.495 472 H HA 0.558 5.114 4.556 0.000 0.000 0.348 472 H C -2.443 172.881 175.328 -0.005 0.000 1.113 472 H CA -1.743 54.301 56.048 -0.006 0.000 1.195 472 H CB 1.767 31.527 29.762 -0.004 0.000 1.521 472 H HN 0.345 nan 8.280 nan 0.000 0.509 473 P HA 0.317 nan 4.420 nan 0.000 0.294 473 P C -1.400 175.761 177.300 -0.232 0.000 1.389 473 P CA -0.478 62.233 63.100 -0.648 0.000 0.875 473 P CB 1.029 32.284 31.700 -0.742 0.000 1.018 474 V N 2.750 122.595 119.914 -0.116 0.000 2.789 474 V HA 0.081 4.201 4.120 0.000 0.000 0.311 474 V C 1.302 177.357 176.094 -0.065 0.000 1.073 474 V CA -0.505 61.758 62.300 -0.062 0.000 0.921 474 V CB 1.966 33.776 31.823 -0.021 0.000 1.009 474 V HN 0.634 nan 8.190 nan 0.000 0.426 475 C N 2.654 121.911 119.300 -0.072 0.000 2.398 475 C HA -0.175 4.285 4.460 0.000 0.000 0.276 475 C C 2.791 177.590 174.990 -0.317 0.000 1.222 475 C CA 1.557 60.465 59.018 -0.183 0.000 1.746 475 C CB -1.094 26.619 27.740 -0.044 0.000 2.039 475 C HN 1.040 nan 8.230 nan 0.000 0.470 476 A N 1.241 124.020 122.820 -0.069 0.000 2.076 476 A HA -0.229 4.091 4.320 0.000 0.000 0.220 476 A C 2.087 179.750 177.584 0.132 0.000 1.160 476 A CA 1.861 53.977 52.037 0.131 0.000 0.653 476 A CB -0.764 18.405 19.000 0.282 0.000 0.801 476 A HN 0.872 nan 8.150 nan 0.000 0.455 477 E N -0.135 120.072 120.200 0.012 0.000 2.333 477 E HA -0.110 4.240 4.350 0.000 0.000 0.198 477 E C 1.547 178.112 176.600 -0.057 0.000 1.007 477 E CA 1.074 57.496 56.400 0.038 0.000 0.845 477 E CB -0.562 29.170 29.700 0.053 0.000 0.766 477 E HN 0.310 nan 8.360 nan 0.000 0.507 478 V N 0.425 120.171 119.914 -0.279 0.000 2.469 478 V HA -0.237 3.883 4.120 0.000 0.000 0.251 478 V C 1.496 177.356 176.094 -0.389 0.000 1.064 478 V CA 1.584 63.634 62.300 -0.417 0.000 1.066 478 V CB -0.636 30.730 31.823 -0.763 0.000 0.667 478 V HN 0.300 nan 8.190 nan 0.000 0.461 479 F N 0.526 120.394 119.950 -0.137 0.000 2.502 479 F HA -0.031 4.496 4.527 0.000 0.000 0.298 479 F C 2.390 178.163 175.800 -0.045 0.000 1.111 479 F CA 1.554 59.479 58.000 -0.125 0.000 1.445 479 F CB -0.978 37.888 39.000 -0.223 0.000 1.081 479 F HN 0.129 nan 8.300 nan 0.000 0.558 480 T N -1.517 113.114 114.554 0.128 0.000 3.023 480 T HA -0.080 4.271 4.350 0.000 0.000 0.266 480 T C 1.621 176.330 174.700 0.014 0.000 1.093 480 T CA 1.758 63.911 62.100 0.088 0.000 1.129 480 T CB -0.303 68.611 68.868 0.077 0.000 0.899 480 T HN 0.339 nan 8.240 nan 0.000 0.491 481 T N -0.615 113.926 114.554 -0.021 0.000 3.337 481 T HA 0.420 4.770 4.350 0.000 0.000 0.299 481 T C 0.187 174.854 174.700 -0.055 0.000 0.998 481 T CA -0.437 61.639 62.100 -0.040 0.000 0.948 481 T CB -0.580 68.269 68.868 -0.032 0.000 1.170 481 T HN 0.135 nan 8.240 nan 0.000 0.508 482 L N 3.048 124.227 121.223 -0.074 0.000 2.500 482 L HA 0.310 4.650 4.340 0.000 0.000 0.272 482 L C 1.405 178.237 176.870 -0.063 0.000 1.149 482 L CA -0.012 54.795 54.840 -0.054 0.000 0.897 482 L CB 0.701 42.741 42.059 -0.032 0.000 1.178 482 L HN 0.534 nan 8.230 nan 0.000 0.473 483 S N 1.389 117.124 115.700 0.059 0.000 2.649 483 S HA 0.153 4.623 4.470 0.000 0.000 0.246 483 S C 0.181 174.943 174.600 0.270 0.000 1.057 483 S CA -0.396 57.877 58.200 0.121 0.000 1.051 483 S CB 0.563 63.797 63.200 0.058 0.000 1.018 483 S HN 0.228 nan 8.310 nan 0.000 0.569 484 V N 4.004 124.069 119.914 0.253 0.000 2.383 484 V HA 0.548 4.668 4.120 0.000 0.000 0.275 484 V C 0.543 176.795 176.094 0.263 0.000 1.036 484 V CA -0.176 62.253 62.300 0.215 0.000 0.889 484 V CB 0.903 32.808 31.823 0.136 0.000 0.985 484 V HN 0.626 nan 8.190 nan 0.000 0.459 485 T N 1.668 116.282 114.554 0.100 0.000 2.928 485 T HA 0.399 4.749 4.350 0.000 0.000 0.284 485 T C 0.911 175.581 174.700 -0.051 0.000 1.008 485 T CA -0.767 61.265 62.100 -0.113 0.000 1.057 485 T CB 1.587 70.284 68.868 -0.284 0.000 1.018 485 T HN 0.550 nan 8.240 nan 0.000 0.493 486 K N 0.633 120.900 120.400 -0.221 0.000 2.032 486 K HA -0.159 4.161 4.320 0.000 0.000 0.209 486 K C 2.448 178.992 176.600 -0.092 0.000 1.048 486 K CA 1.497 57.656 56.287 -0.214 0.000 0.927 486 K CB -0.211 32.110 32.500 -0.299 0.000 0.712 486 K HN 0.667 nan 8.250 nan 0.000 0.441 487 R N 1.405 121.839 120.500 -0.108 0.000 2.117 487 R HA -0.156 4.184 4.340 0.000 0.000 0.243 487 R C 2.284 178.564 176.300 -0.034 0.000 1.143 487 R CA 2.086 58.144 56.100 -0.069 0.000 0.968 487 R CB -0.263 29.988 30.300 -0.083 0.000 0.863 487 R HN 0.250 nan 8.270 nan 0.000 0.444 488 S N -1.124 114.562 115.700 -0.025 0.000 2.419 488 S HA -0.013 4.457 4.470 0.000 0.000 0.233 488 S C 1.697 176.311 174.600 0.024 0.000 1.016 488 S CA 1.013 59.218 58.200 0.007 0.000 0.974 488 S CB -0.414 62.802 63.200 0.026 0.000 0.786 488 S HN 0.696 nan 8.310 nan 0.000 0.492 489 G N 1.051 109.871 108.800 0.034 0.000 2.184 489 G HA2 -0.180 3.780 3.960 0.000 0.000 0.264 489 G HA3 -0.180 3.780 3.960 0.000 0.000 0.264 489 G C 0.324 175.265 174.900 0.069 0.000 0.975 489 G CA 0.285 45.413 45.100 0.048 0.000 0.642 489 G HN 1.432 nan 8.290 nan 0.000 0.536 490 A N 0.051 122.917 122.820 0.077 0.000 2.445 490 A HA 0.663 4.983 4.320 0.000 0.000 0.242 490 A C 0.961 178.601 177.584 0.094 0.000 1.075 490 A CA 1.192 53.274 52.037 0.075 0.000 0.777 490 A CB 0.539 19.581 19.000 0.070 0.000 1.013 490 A HN 1.544 nan 8.150 nan 0.000 0.493 491 S N -0.293 115.449 115.700 0.070 0.000 2.592 491 S HA 0.425 4.895 4.470 0.000 0.000 0.271 491 S C 0.603 175.238 174.600 0.058 0.000 1.326 491 S CA 0.114 58.356 58.200 0.070 0.000 1.024 491 S CB -0.014 63.215 63.200 0.048 0.000 0.921 491 S HN 0.967 nan 8.310 nan 0.000 0.527 492 I N 1.832 122.443 120.570 0.067 0.000 3.817 492 I HA 0.405 4.575 4.170 0.000 0.000 0.325 492 I C -0.260 175.951 176.117 0.156 0.000 1.550 492 I CA -0.474 60.861 61.300 0.058 0.000 1.100 492 I CB -0.050 37.879 38.000 -0.118 0.000 1.216 492 I HN 0.330 nan 8.210 nan 0.000 0.481 493 L N 0.000 121.270 121.223 0.078 0.000 2.949 493 L HA 0.000 4.340 4.340 0.000 0.000 0.249 493 L CA 0.000 54.830 54.840 -0.017 0.000 0.813 493 L CB 0.000 42.015 42.059 -0.074 0.000 0.961 493 L HN 0.000 nan 8.230 nan 0.000 0.502