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 2zzc_1_B 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 0.000 174.458 174.600 -0.236 0.000 1.055 10 S CA 0.000 58.029 58.200 -0.284 0.000 1.107 10 S CB 0.000 62.878 63.200 -0.536 0.000 0.593 11 Y N 3.779 124.084 120.300 0.008 0.000 2.357 11 Y HA 0.401 4.969 4.550 0.031 0.000 0.340 11 Y C 1.666 177.582 175.900 0.026 0.000 1.260 11 Y CA 0.109 58.239 58.100 0.051 0.000 1.425 11 Y CB 0.114 38.635 38.460 0.100 0.000 1.326 11 Y HN 0.368 nan 8.280 nan 0.000 0.580 12 D N 0.026 120.580 120.400 0.257 0.000 2.117 12 D HA -0.165 4.494 4.640 0.031 0.000 0.197 12 D C -0.354 175.796 176.300 -0.249 0.000 0.987 12 D CA 1.839 55.864 54.000 0.042 0.000 0.829 12 D CB -0.087 40.853 40.800 0.234 0.000 0.961 12 D HN 0.434 nan 8.370 nan 0.000 0.460 13 Y N -0.102 120.252 120.300 0.091 0.000 2.570 13 Y HA 0.202 4.771 4.550 0.032 0.000 0.345 13 Y C 1.028 176.935 175.900 0.012 0.000 1.014 13 Y CA -1.011 57.091 58.100 0.003 0.000 1.063 13 Y CB 1.539 39.944 38.460 -0.091 0.000 1.272 13 Y HN -0.338 nan 8.280 nan 0.000 0.477 14 D N 0.562 121.047 120.400 0.141 0.000 2.194 14 D HA 0.009 4.668 4.640 0.031 0.000 0.204 14 D C -0.416 175.941 176.300 0.095 0.000 0.964 14 D CA 1.442 55.502 54.000 0.100 0.000 0.846 14 D CB 0.525 41.322 40.800 -0.006 0.000 0.962 14 D HN 0.227 nan 8.370 nan 0.000 0.490 15 L N 0.311 121.561 121.223 0.046 0.000 2.513 15 L HA 0.413 4.772 4.340 0.031 0.000 0.261 15 L C -1.780 174.962 176.870 -0.213 0.000 0.945 15 L CA -0.482 54.333 54.840 -0.041 0.000 0.848 15 L CB 2.277 44.394 42.059 0.098 0.000 1.334 15 L HN -0.244 nan 8.230 nan 0.000 0.407 16 I N 5.517 125.820 120.570 -0.445 0.000 2.465 16 I HA 0.481 4.670 4.170 0.031 0.000 0.291 16 I C -0.732 175.235 176.117 -0.250 0.000 1.014 16 I CA -0.547 60.470 61.300 -0.472 0.000 1.093 16 I CB 1.963 39.561 38.000 -0.670 0.000 1.267 16 I HN 0.493 nan 8.210 nan 0.000 0.431 17 I N 6.922 127.389 120.570 -0.172 0.000 2.354 17 I HA 0.392 4.581 4.170 0.031 0.000 0.292 17 I C -0.420 175.651 176.117 -0.077 0.000 0.989 17 I CA -0.531 60.724 61.300 -0.076 0.000 1.188 17 I CB 1.641 39.605 38.000 -0.060 0.000 1.342 17 I HN 0.355 nan 8.210 nan 0.000 0.457 18 I N 5.914 126.458 120.570 -0.044 0.000 2.307 18 I HA 0.596 4.785 4.170 0.031 0.000 0.289 18 I C 0.460 176.543 176.117 -0.056 0.000 1.021 18 I CA -0.126 61.124 61.300 -0.083 0.000 1.224 18 I CB 1.050 38.972 38.000 -0.130 0.000 1.376 18 I HN 0.815 nan 8.210 nan 0.000 0.470 19 G N 3.663 112.433 108.800 -0.049 0.000 3.226 19 G HA2 0.138 4.116 3.960 0.031 0.000 0.685 19 G HA3 0.138 4.116 3.960 0.031 0.000 0.685 19 G C -0.276 174.608 174.900 -0.026 0.000 1.207 19 G CA -0.573 44.513 45.100 -0.024 0.000 0.877 19 G HN 0.942 nan 8.290 nan 0.000 0.585 20 G N 0.723 109.508 108.800 -0.025 0.000 4.829 20 G HA2 0.746 4.724 3.960 0.031 0.000 0.320 20 G HA3 0.746 4.724 3.960 0.031 0.000 0.320 20 G C 0.622 175.429 174.900 -0.155 0.000 1.445 20 G CA 0.762 45.809 45.100 -0.087 0.000 1.151 20 G HN 1.332 nan 8.290 nan 0.000 0.572 21 G N 0.183 108.905 108.800 -0.130 0.000 3.122 21 G HA2 0.464 4.443 3.960 0.031 0.000 0.180 21 G HA3 0.464 4.443 3.960 0.031 0.000 0.180 21 G C 1.184 175.971 174.900 -0.187 0.000 1.279 21 G CA 0.419 45.419 45.100 -0.166 0.000 0.987 21 G HN 0.218 nan 8.290 nan 0.000 0.589 22 S N 0.091 115.704 115.700 -0.145 0.000 2.392 22 S HA -0.174 4.315 4.470 0.031 0.000 0.225 22 S C 2.495 177.052 174.600 -0.072 0.000 1.041 22 S CA 1.983 60.118 58.200 -0.108 0.000 1.100 22 S CB -1.103 62.057 63.200 -0.067 0.000 1.029 22 S HN 0.877 nan 8.310 nan 0.000 0.424 23 G N 1.248 110.024 108.800 -0.041 0.000 2.491 23 G HA2 -0.094 3.885 3.960 0.031 0.000 0.218 23 G HA3 -0.094 3.885 3.960 0.031 0.000 0.218 23 G C 1.480 176.364 174.900 -0.026 0.000 1.180 23 G CA 1.140 46.230 45.100 -0.018 0.000 0.774 23 G HN 0.601 nan 8.290 nan 0.000 0.562 24 G N 0.868 109.645 108.800 -0.039 0.000 2.459 24 G HA2 -0.178 3.801 3.960 0.031 0.000 0.217 24 G HA3 -0.178 3.801 3.960 0.031 0.000 0.217 24 G C 1.843 176.708 174.900 -0.057 0.000 1.183 24 G CA 0.905 45.979 45.100 -0.043 0.000 0.776 24 G HN 0.424 nan 8.290 nan 0.000 0.552 25 L N 0.686 121.852 121.223 -0.096 0.000 2.093 25 L HA -0.022 4.337 4.340 0.031 0.000 0.208 25 L C 3.420 180.271 176.870 -0.032 0.000 1.085 25 L CA 0.869 55.656 54.840 -0.089 0.000 0.755 25 L CB -0.486 41.464 42.059 -0.182 0.000 0.904 25 L HN 0.314 nan 8.230 nan 0.000 0.435 26 A N 0.447 123.251 122.820 -0.027 0.000 1.865 26 A HA -0.220 4.119 4.320 0.031 0.000 0.217 26 A C 2.588 180.169 177.584 -0.005 0.000 1.191 26 A CA 1.950 53.984 52.037 -0.006 0.000 0.623 26 A CB -0.898 18.097 19.000 -0.008 0.000 0.826 26 A HN 0.382 nan 8.150 nan 0.000 0.444 27 A N -0.204 122.613 122.820 -0.005 0.000 1.917 27 A HA 0.054 4.392 4.320 0.031 0.000 0.219 27 A C 2.529 180.122 177.584 0.015 0.000 1.182 27 A CA 2.574 54.617 52.037 0.010 0.000 0.633 27 A CB -1.163 17.841 19.000 0.006 0.000 0.819 27 A HN 1.172 nan 8.150 nan 0.000 0.448 28 A N -0.220 122.596 122.820 -0.007 0.000 1.851 28 A HA -0.218 4.121 4.320 0.031 0.000 0.216 28 A C 2.108 179.681 177.584 -0.019 0.000 1.195 28 A CA 2.147 54.175 52.037 -0.015 0.000 0.622 28 A CB -0.558 18.421 19.000 -0.034 0.000 0.831 28 A HN 0.518 nan 8.150 nan 0.000 0.444 29 K N -0.751 119.633 120.400 -0.026 0.000 2.097 29 K HA -0.162 4.177 4.320 0.031 0.000 0.206 29 K C 2.084 178.639 176.600 -0.074 0.000 1.049 29 K CA 1.591 57.850 56.287 -0.046 0.000 0.933 29 K CB -0.091 32.389 32.500 -0.034 0.000 0.717 29 K HN 0.531 nan 8.250 nan 0.000 0.442 30 E N 0.446 120.618 120.200 -0.047 0.000 2.152 30 E HA -0.079 4.289 4.350 0.031 0.000 0.192 30 E C 1.682 178.244 176.600 -0.063 0.000 0.983 30 E CA 1.177 57.537 56.400 -0.067 0.000 0.818 30 E CB -0.040 29.671 29.700 0.018 0.000 0.758 30 E HN 0.311 nan 8.360 nan 0.000 0.467 31 A N 0.751 123.598 122.820 0.046 0.000 1.854 31 A HA 0.018 4.357 4.320 0.031 0.000 0.214 31 A C 2.445 180.005 177.584 -0.040 0.000 1.192 31 A CA 1.741 53.856 52.037 0.131 0.000 0.611 31 A CB -1.092 18.006 19.000 0.162 0.000 0.832 31 A HN 0.349 nan 8.150 nan 0.000 0.442 32 A N -0.662 122.113 122.820 -0.074 0.000 1.986 32 A HA -0.279 4.060 4.320 0.031 0.000 0.220 32 A C 2.060 179.557 177.584 -0.146 0.000 1.171 32 A CA 1.862 53.843 52.037 -0.094 0.000 0.640 32 A CB -0.663 18.293 19.000 -0.073 0.000 0.811 32 A HN 0.676 nan 8.150 nan 0.000 0.451 33 Q N -1.873 117.774 119.800 -0.255 0.000 2.234 33 Q HA -0.168 4.190 4.340 0.031 0.000 0.206 33 Q C 0.630 176.388 176.000 -0.402 0.000 0.980 33 Q CA 1.504 57.078 55.803 -0.380 0.000 0.869 33 Q CB -0.220 28.180 28.738 -0.563 0.000 0.912 33 Q HN 0.928 nan 8.270 nan 0.000 0.436 34 Y N -1.274 119.012 120.300 -0.024 0.000 2.532 34 Y HA 0.249 4.817 4.550 0.031 0.000 0.283 34 Y C 1.269 177.122 175.900 -0.078 0.000 1.181 34 Y CA -0.124 57.959 58.100 -0.030 0.000 1.256 34 Y CB 0.745 39.214 38.460 0.015 0.000 1.112 34 Y HN 0.157 nan 8.280 nan 0.000 0.521 35 G N 0.124 108.922 108.800 -0.003 0.000 2.148 35 G HA2 -0.255 3.723 3.960 0.031 0.000 0.254 35 G HA3 -0.255 3.723 3.960 0.031 0.000 0.254 35 G C 0.204 175.057 174.900 -0.078 0.000 0.981 35 G CA -0.332 44.749 45.100 -0.032 0.000 0.670 35 G HN 0.097 nan 8.290 nan 0.000 0.528 36 K N 0.276 120.588 120.400 -0.146 0.000 2.258 36 K HA 0.322 4.661 4.320 0.031 0.000 0.264 36 K C 0.485 177.024 176.600 -0.103 0.000 1.007 36 K CA -0.408 55.750 56.287 -0.215 0.000 0.941 36 K CB 0.899 33.111 32.500 -0.480 0.000 0.966 36 K HN 0.292 nan 8.250 nan 0.000 0.480 37 K N 2.027 122.390 120.400 -0.061 0.000 2.263 37 K HA 0.213 4.551 4.320 0.031 0.000 0.282 37 K C -0.974 175.709 176.600 0.139 0.000 1.089 37 K CA -0.340 55.959 56.287 0.020 0.000 0.907 37 K CB 0.505 32.982 32.500 -0.039 0.000 1.148 37 K HN 0.193 nan 8.250 nan 0.000 0.470 38 V N 5.620 125.609 119.914 0.125 0.000 2.555 38 V HA 0.441 4.580 4.120 0.031 0.000 0.302 38 V C -0.265 175.805 176.094 -0.039 0.000 1.038 38 V CA -0.897 61.437 62.300 0.056 0.000 0.887 38 V CB 1.682 33.498 31.823 -0.012 0.000 0.991 38 V HN 0.815 nan 8.190 nan 0.000 0.434 39 M N 4.788 124.186 119.600 -0.337 0.000 2.393 39 M HA 0.730 5.228 4.480 0.031 0.000 0.316 39 M C -1.904 174.192 176.300 -0.339 0.000 1.087 39 M CA -0.474 54.497 55.300 -0.548 0.000 0.937 39 M CB 2.001 33.789 32.600 -1.353 0.000 1.668 39 M HN 0.440 nan 8.290 nan 0.000 0.438 40 V N 6.129 125.927 119.914 -0.193 0.000 2.409 40 V HA 0.481 4.620 4.120 0.031 0.000 0.291 40 V C -0.644 175.433 176.094 -0.030 0.000 1.020 40 V CA -0.624 61.627 62.300 -0.082 0.000 0.848 40 V CB 1.864 33.685 31.823 -0.003 0.000 0.990 40 V HN 0.810 nan 8.190 nan 0.000 0.430 41 L N 4.662 125.847 121.223 -0.064 0.000 2.295 41 L HA 0.658 5.017 4.340 0.031 0.000 0.285 41 L C -0.769 176.128 176.870 0.045 0.000 1.035 41 L CA -0.135 54.678 54.840 -0.043 0.000 0.806 41 L CB 1.752 43.748 42.059 -0.105 0.000 1.214 41 L HN 0.710 nan 8.230 nan 0.000 0.426 42 D N 2.603 123.083 120.400 0.134 0.000 2.927 42 D HA 0.521 5.180 4.640 0.031 0.000 0.219 42 D C -1.721 174.705 176.300 0.210 0.000 1.248 42 D CA -0.259 53.845 54.000 0.174 0.000 0.861 42 D CB 1.754 42.697 40.800 0.240 0.000 1.677 42 D HN 0.232 nan 8.370 nan 0.000 0.511 43 F N 3.327 123.296 119.950 0.033 0.000 2.628 43 F HA 0.605 5.148 4.527 0.027 0.000 0.309 43 F C -1.903 173.897 175.800 0.001 0.000 1.108 43 F CA -0.555 57.467 58.000 0.036 0.000 0.971 43 F CB 1.742 40.798 39.000 0.092 0.000 1.279 43 F HN 0.175 nan 8.300 nan 0.000 0.441 44 V N 4.020 123.448 119.914 -0.811 0.000 2.349 44 V HA 0.307 4.446 4.120 0.031 0.000 0.284 44 V C -0.267 175.492 176.094 -0.558 0.000 1.014 44 V CA -0.622 61.329 62.300 -0.581 0.000 0.826 44 V CB 1.364 32.646 31.823 -0.901 0.000 1.009 44 V HN 0.842 nan 8.190 nan 0.000 0.431 45 T N 8.498 123.010 114.554 -0.069 0.000 2.834 45 T HA 0.211 4.580 4.350 0.031 0.000 0.298 45 T C -1.875 172.744 174.700 -0.136 0.000 0.966 45 T CA -0.415 61.746 62.100 0.102 0.000 1.141 45 T CB 0.763 69.743 68.868 0.186 0.000 0.905 45 T HN 0.517 nan 8.240 nan 0.000 0.535 46 P HA 0.083 nan 4.420 nan 0.000 0.270 46 P C 0.011 177.283 177.300 -0.048 0.000 1.227 46 P CA -0.296 62.724 63.100 -0.135 0.000 0.788 46 P CB 0.398 32.060 31.700 -0.063 0.000 0.926 47 T N 1.907 116.462 114.554 0.002 0.000 2.913 47 T HA 0.192 4.560 4.350 0.031 0.000 0.287 47 T C -1.342 173.400 174.700 0.069 0.000 1.008 47 T CA -1.250 60.908 62.100 0.097 0.000 1.067 47 T CB 0.325 69.302 68.868 0.182 0.000 0.996 47 T HN 0.278 nan 8.240 nan 0.000 0.513 48 P HA -0.092 nan 4.420 nan 0.000 0.218 48 P C 1.193 178.508 177.300 0.025 0.000 1.154 48 P CA 1.237 64.338 63.100 0.002 0.000 0.872 48 P CB 0.051 31.721 31.700 -0.049 0.000 0.790 49 L N -3.274 117.992 121.223 0.073 0.000 2.552 49 L HA 0.153 4.512 4.340 0.031 0.000 0.227 49 L C 1.571 178.483 176.870 0.071 0.000 1.146 49 L CA 0.815 55.700 54.840 0.077 0.000 0.858 49 L CB -0.818 41.307 42.059 0.111 0.000 0.969 49 L HN 0.178 nan 8.230 nan 0.000 0.451 50 G N -0.684 108.153 108.800 0.061 0.000 2.179 50 G HA2 -0.219 3.760 3.960 0.031 0.000 0.220 50 G HA3 -0.219 3.760 3.960 0.031 0.000 0.220 50 G C 0.298 175.230 174.900 0.053 0.000 0.990 50 G CA -0.041 45.087 45.100 0.046 0.000 0.646 50 G HN 0.216 nan 8.290 nan 0.000 0.517 51 T N 2.216 116.827 114.554 0.094 0.000 2.851 51 T HA 0.575 4.944 4.350 0.031 0.000 0.298 51 T C 0.580 175.308 174.700 0.047 0.000 0.977 51 T CA 0.540 62.730 62.100 0.150 0.000 1.126 51 T CB 0.786 69.819 68.868 0.274 0.000 0.916 51 T HN 0.808 nan 8.240 nan 0.000 0.529 52 R N 1.444 121.967 120.500 0.037 0.000 2.817 52 R HA 0.792 5.151 4.340 0.031 0.000 0.268 52 R C -1.705 174.649 176.300 0.090 0.000 1.027 52 R CA -1.225 54.718 56.100 -0.262 0.000 0.928 52 R CB 1.650 31.794 30.300 -0.260 0.000 1.228 52 R HN 0.705 nan 8.270 nan 0.000 0.469 53 W N -1.225 120.061 121.300 -0.023 0.000 2.923 53 W HA 0.697 5.376 4.660 0.032 0.000 0.373 53 W C -0.822 175.680 176.519 -0.028 0.000 1.205 53 W CA -0.984 56.355 57.345 -0.010 0.000 1.180 53 W CB 0.042 29.504 29.460 0.004 0.000 1.477 53 W HN 0.842 nan 8.180 nan 0.000 0.581 54 G N 0.502 109.501 108.800 0.331 0.000 2.535 54 G HA2 0.450 4.429 3.960 0.031 0.000 0.282 54 G HA3 0.450 4.429 3.960 0.031 0.000 0.282 54 G C -0.889 174.107 174.900 0.161 0.000 1.350 54 G CA -0.914 44.295 45.100 0.183 0.000 1.039 54 G HN 0.858 nan 8.290 nan 0.000 0.509 55 L N -0.372 120.872 121.223 0.035 0.000 2.492 55 L HA 0.432 4.791 4.340 0.031 0.000 0.280 55 L C 1.485 178.291 176.870 -0.106 0.000 1.240 55 L CA 2.272 57.059 54.840 -0.089 0.000 0.831 55 L CB 0.901 42.761 42.059 -0.330 0.000 1.100 55 L HN 1.307 nan 8.230 nan 0.000 0.505 56 G N 0.503 109.157 108.800 -0.242 0.000 2.545 56 G HA2 0.288 4.266 3.960 0.031 0.000 0.195 56 G HA3 0.288 4.266 3.960 0.031 0.000 0.195 56 G C 0.876 175.619 174.900 -0.261 0.000 1.009 56 G CA 0.112 44.979 45.100 -0.388 0.000 0.703 56 G HN 2.055 nan 8.290 nan 0.000 0.479 57 G N -1.320 107.436 108.800 -0.072 0.000 2.660 57 G HA2 0.175 4.154 3.960 0.031 0.000 0.247 57 G HA3 0.175 4.154 3.960 0.031 0.000 0.247 57 G C 0.706 175.587 174.900 -0.032 0.000 1.328 57 G CA 0.640 45.730 45.100 -0.018 0.000 0.884 57 G HN 1.159 nan 8.290 nan 0.000 0.531 58 T N -0.522 114.018 114.554 -0.022 0.000 2.708 58 T HA -0.207 4.162 4.350 0.031 0.000 0.266 58 T C 2.497 177.080 174.700 -0.194 0.000 1.037 58 T CA 2.628 64.672 62.100 -0.092 0.000 1.146 58 T CB -0.601 68.254 68.868 -0.021 0.000 0.865 58 T HN 1.041 nan 8.240 nan 0.000 0.435 59 c N 1.118 119.625 118.600 -0.154 0.000 2.413 59 c HA -0.076 4.513 4.570 0.031 0.000 0.277 59 c C 2.794 176.755 174.090 -0.215 0.000 1.228 59 c CA 0.769 56.993 56.329 -0.175 0.000 1.731 59 c CB -1.225 41.210 42.510 -0.125 0.000 2.042 59 c HN 0.386 nan 8.230 nan 0.000 0.468 60 V N 1.832 121.635 119.914 -0.185 0.000 2.295 60 V HA -0.183 3.956 4.120 0.031 0.000 0.246 60 V C 2.213 178.167 176.094 -0.234 0.000 1.049 60 V CA 2.459 64.664 62.300 -0.158 0.000 1.024 60 V CB -0.653 31.108 31.823 -0.103 0.000 0.648 60 V HN 0.608 nan 8.190 nan 0.000 0.447 61 N N -0.057 118.437 118.700 -0.343 0.000 2.432 61 N HA 0.014 4.772 4.740 0.031 0.000 0.174 61 N C 1.090 176.238 175.510 -0.603 0.000 1.037 61 N CA 1.556 54.310 53.050 -0.493 0.000 0.892 61 N CB 1.107 39.102 38.487 -0.820 0.000 1.049 61 N HN 0.560 nan 8.380 nan 0.000 0.442 62 V N -3.838 115.709 119.914 -0.612 0.000 3.355 62 V HA 0.598 4.737 4.120 0.031 0.000 0.330 62 V C 0.568 176.461 176.094 -0.334 0.000 1.479 62 V CA -0.222 61.816 62.300 -0.436 0.000 1.150 62 V CB 0.523 31.988 31.823 -0.598 0.000 1.044 62 V HN 0.120 nan 8.190 nan 0.000 0.501 63 G N 0.018 108.531 108.800 -0.479 0.000 3.324 63 G HA2 0.218 4.197 3.960 0.031 0.000 0.188 63 G HA3 0.218 4.197 3.960 0.031 0.000 0.188 63 G C 1.019 175.666 174.900 -0.421 0.000 1.384 63 G CA 0.700 45.596 45.100 -0.340 0.000 0.841 63 G HN 0.259 nan 8.290 nan 0.000 0.758 64 c N 0.644 119.083 118.600 -0.269 0.000 2.328 64 c HA -0.127 4.462 4.570 0.031 0.000 0.276 64 c C 2.704 176.600 174.090 -0.323 0.000 1.173 64 c CA 0.999 57.176 56.329 -0.254 0.000 1.774 64 c CB -1.459 40.945 42.510 -0.176 0.000 2.009 64 c HN 0.421 nan 8.230 nan 0.000 0.436 65 I N 2.390 122.791 120.570 -0.281 0.000 2.068 65 I HA -0.141 4.047 4.170 0.031 0.000 0.238 65 I C -0.331 175.579 176.117 -0.345 0.000 1.046 65 I CA 1.996 63.146 61.300 -0.249 0.000 1.306 65 I CB -1.911 36.001 38.000 -0.148 0.000 1.023 65 I HN 0.218 nan 8.210 nan 0.000 0.399 66 P HA -0.177 nan 4.420 nan 0.000 0.217 66 P C 1.695 178.632 177.300 -0.606 0.000 1.150 66 P CA 1.345 64.087 63.100 -0.596 0.000 0.832 66 P CB -0.117 31.020 31.700 -0.938 0.000 0.787 67 K N 0.762 120.757 120.400 -0.675 0.000 2.002 67 K HA -0.202 4.137 4.320 0.031 0.000 0.209 67 K C 2.044 178.453 176.600 -0.317 0.000 1.048 67 K CA 1.806 57.897 56.287 -0.326 0.000 0.930 67 K CB -0.590 31.834 32.500 -0.128 0.000 0.714 67 K HN -0.160 nan 8.250 nan 0.000 0.438 68 K N 1.079 121.270 120.400 -0.349 0.000 2.032 68 K HA -0.082 4.257 4.320 0.031 0.000 0.209 68 K C 2.246 178.717 176.600 -0.215 0.000 1.048 68 K CA 1.414 57.508 56.287 -0.321 0.000 0.927 68 K CB -0.395 31.864 32.500 -0.401 0.000 0.712 68 K HN 0.195 nan 8.250 nan 0.000 0.441 69 L N -0.318 120.750 121.223 -0.258 0.000 2.083 69 L HA -0.167 4.192 4.340 0.031 0.000 0.209 69 L C 2.490 179.220 176.870 -0.232 0.000 1.083 69 L CA 1.374 56.078 54.840 -0.227 0.000 0.752 69 L CB -0.346 41.577 42.059 -0.227 0.000 0.899 69 L HN 0.261 nan 8.230 nan 0.000 0.433 70 M N -1.584 117.801 119.600 -0.357 0.000 2.419 70 M HA -0.150 4.349 4.480 0.031 0.000 0.264 70 M C 2.231 178.393 176.300 -0.231 0.000 1.082 70 M CA 0.878 55.910 55.300 -0.448 0.000 1.119 70 M CB -0.356 31.641 32.600 -1.004 0.000 1.398 70 M HN 0.247 nan 8.290 nan 0.000 0.453 71 H N 0.537 119.454 119.070 -0.253 0.000 2.321 71 H HA -0.190 4.384 4.556 0.031 0.000 0.300 71 H C 1.986 177.314 175.328 0.001 0.000 1.087 71 H CA 2.194 58.244 56.048 0.003 0.000 1.319 71 H CB -0.112 29.664 29.762 0.023 0.000 1.379 71 H HN 0.279 nan 8.280 nan 0.000 0.501 72 Q N 0.457 120.206 119.800 -0.085 0.000 2.084 72 Q HA -0.037 4.322 4.340 0.031 0.000 0.202 72 Q C 2.406 178.341 176.000 -0.109 0.000 0.978 72 Q CA 1.969 57.683 55.803 -0.149 0.000 0.844 72 Q CB -0.768 27.891 28.738 -0.132 0.000 0.898 72 Q HN 0.529 nan 8.270 nan 0.000 0.426 73 A N 0.299 123.061 122.820 -0.097 0.000 1.940 73 A HA -0.111 4.228 4.320 0.031 0.000 0.219 73 A C 2.281 179.812 177.584 -0.088 0.000 1.176 73 A CA 2.066 54.048 52.037 -0.092 0.000 0.631 73 A CB -1.180 17.751 19.000 -0.114 0.000 0.814 73 A HN 0.548 nan 8.150 nan 0.000 0.446 74 A N -0.456 122.344 122.820 -0.033 0.000 1.872 74 A HA 0.056 4.394 4.320 0.031 0.000 0.214 74 A C 2.170 179.751 177.584 -0.005 0.000 1.187 74 A CA 1.303 53.351 52.037 0.018 0.000 0.614 74 A CB -0.587 18.506 19.000 0.156 0.000 0.826 74 A HN 0.450 nan 8.150 nan 0.000 0.442 75 L N -0.387 120.801 121.223 -0.058 0.000 2.012 75 L HA -0.215 4.144 4.340 0.031 0.000 0.210 75 L C 2.544 179.385 176.870 -0.049 0.000 1.073 75 L CA 1.235 56.029 54.840 -0.076 0.000 0.748 75 L CB -0.566 41.388 42.059 -0.175 0.000 0.891 75 L HN 0.383 nan 8.230 nan 0.000 0.431 76 L N -0.533 120.654 121.223 -0.061 0.000 2.127 76 L HA -0.190 4.169 4.340 0.031 0.000 0.211 76 L C 2.564 179.415 176.870 -0.031 0.000 1.089 76 L CA 1.288 56.097 54.840 -0.051 0.000 0.757 76 L CB -1.076 40.950 42.059 -0.055 0.000 0.899 76 L HN 0.375 nan 8.230 nan 0.000 0.434 77 G N -0.720 108.067 108.800 -0.022 0.000 2.408 77 G HA2 -0.305 3.673 3.960 0.031 0.000 0.217 77 G HA3 -0.305 3.673 3.960 0.031 0.000 0.217 77 G C 1.501 176.405 174.900 0.008 0.000 1.150 77 G CA 0.676 45.775 45.100 -0.002 0.000 0.776 77 G HN 0.380 nan 8.290 nan 0.000 0.542 78 Q N 0.344 120.147 119.800 0.005 0.000 2.172 78 Q HA 0.243 4.602 4.340 0.031 0.000 0.200 78 Q C 2.606 178.610 176.000 0.007 0.000 0.964 78 Q CA 1.503 57.310 55.803 0.007 0.000 0.855 78 Q CB -0.343 28.394 28.738 -0.002 0.000 0.918 78 Q HN 0.326 nan 8.270 nan 0.000 0.444 79 A N 0.734 123.551 122.820 -0.004 0.000 1.883 79 A HA -0.171 4.168 4.320 0.031 0.000 0.217 79 A C 2.038 179.617 177.584 -0.009 0.000 1.186 79 A CA 1.472 53.503 52.037 -0.011 0.000 0.624 79 A CB -0.853 18.120 19.000 -0.044 0.000 0.822 79 A HN 0.476 nan 8.150 nan 0.000 0.444 80 L N -0.527 120.688 121.223 -0.014 0.000 1.990 80 L HA -0.304 4.055 4.340 0.031 0.000 0.213 80 L C 3.025 179.917 176.870 0.037 0.000 1.072 80 L CA 1.857 56.694 54.840 -0.005 0.000 0.755 80 L CB -0.726 41.335 42.059 0.003 0.000 0.889 80 L HN 0.479 nan 8.230 nan 0.000 0.432 81 Q N -0.229 119.596 119.800 0.043 0.000 2.061 81 Q HA -0.246 4.112 4.340 0.031 0.000 0.204 81 Q C 1.832 177.888 176.000 0.094 0.000 0.984 81 Q CA 1.746 57.585 55.803 0.060 0.000 0.846 81 Q CB -0.480 28.285 28.738 0.044 0.000 0.902 81 Q HN 0.531 nan 8.270 nan 0.000 0.421 82 D N 0.441 120.903 120.400 0.103 0.000 2.263 82 D HA -0.104 4.554 4.640 0.031 0.000 0.208 82 D C 2.002 178.488 176.300 0.311 0.000 0.971 82 D CA 1.303 55.416 54.000 0.187 0.000 0.867 82 D CB -0.174 40.736 40.800 0.183 0.000 0.929 82 D HN 0.267 nan 8.370 nan 0.000 0.492 83 S N -0.120 115.717 115.700 0.228 0.000 2.447 83 S HA -0.084 4.404 4.470 0.031 0.000 0.233 83 S C 1.887 176.729 174.600 0.402 0.000 1.006 83 S CA 0.350 58.748 58.200 0.330 0.000 0.957 83 S CB 0.097 63.370 63.200 0.122 0.000 0.773 83 S HN 0.100 nan 8.310 nan 0.000 0.507 84 R N 1.521 122.174 120.500 0.255 0.000 2.075 84 R HA 0.092 4.451 4.340 0.031 0.000 0.230 84 R C 2.020 178.415 176.300 0.158 0.000 1.140 84 R CA 1.725 57.942 56.100 0.194 0.000 0.928 84 R CB -0.531 29.843 30.300 0.123 0.000 0.834 84 R HN 0.369 nan 8.270 nan 0.000 0.429 85 N N -0.414 118.352 118.700 0.109 0.000 2.513 85 N HA -0.149 4.609 4.740 0.031 0.000 0.187 85 N C 0.605 176.090 175.510 -0.042 0.000 1.056 85 N CA 1.042 54.092 53.050 -0.000 0.000 0.907 85 N CB -0.032 38.413 38.487 -0.070 0.000 0.954 85 N HN 0.304 nan 8.380 nan 0.000 0.445 86 Y N -1.265 119.096 120.300 0.103 0.000 2.466 86 Y HA 0.274 4.842 4.550 0.031 0.000 0.272 86 Y C 1.769 177.650 175.900 -0.032 0.000 1.169 86 Y CA 0.361 58.509 58.100 0.081 0.000 1.285 86 Y CB 0.414 38.986 38.460 0.186 0.000 1.078 86 Y HN 0.100 nan 8.280 nan 0.000 0.523 87 G N -1.787 107.069 108.800 0.094 0.000 2.211 87 G HA2 -0.233 3.746 3.960 0.031 0.000 0.201 87 G HA3 -0.233 3.746 3.960 0.031 0.000 0.201 87 G C -0.266 174.571 174.900 -0.104 0.000 0.997 87 G CA -0.699 44.351 45.100 -0.084 0.000 0.652 87 G HN 0.227 nan 8.290 nan 0.000 0.500 88 W N 2.172 123.519 121.300 0.078 0.000 2.304 88 W HA 0.592 5.271 4.660 0.032 0.000 0.313 88 W C 0.860 177.405 176.519 0.044 0.000 1.323 88 W CA -0.550 56.828 57.345 0.054 0.000 1.223 88 W CB 0.677 30.169 29.460 0.052 0.000 1.237 88 W HN -0.064 nan 8.180 nan 0.000 0.535 89 K N 3.302 123.859 120.400 0.262 0.000 2.278 89 K HA 0.206 4.544 4.320 0.031 0.000 0.237 89 K C -0.468 176.222 176.600 0.150 0.000 1.229 89 K CA -0.191 56.190 56.287 0.158 0.000 1.155 89 K CB -0.155 32.408 32.500 0.105 0.000 1.590 89 K HN 0.214 nan 8.250 nan 0.000 0.290 90 V N 1.226 121.228 119.914 0.147 0.000 2.630 90 V HA 0.168 4.306 4.120 0.031 0.000 0.305 90 V C 0.507 176.649 176.094 0.079 0.000 1.046 90 V CA -1.044 61.319 62.300 0.105 0.000 0.934 90 V CB 1.777 33.660 31.823 0.100 0.000 1.003 90 V HN 0.562 nan 8.190 nan 0.000 0.451 91 E N 1.652 121.888 120.200 0.060 0.000 2.422 91 E HA -0.001 4.367 4.350 0.031 0.000 0.260 91 E C 0.876 177.505 176.600 0.049 0.000 1.108 91 E CA 0.007 56.437 56.400 0.050 0.000 0.943 91 E CB 0.601 30.326 29.700 0.042 0.000 0.961 91 E HN 0.794 nan 8.360 nan 0.000 0.443 92 E N 0.960 121.185 120.200 0.042 0.000 2.347 92 E HA -0.055 4.314 4.350 0.031 0.000 0.196 92 E C -0.545 176.078 176.600 0.037 0.000 1.008 92 E CA 0.664 57.088 56.400 0.040 0.000 0.852 92 E CB 0.355 30.075 29.700 0.033 0.000 0.783 92 E HN 0.314 nan 8.360 nan 0.000 0.505 93 T N 0.838 115.414 114.554 0.038 0.000 3.066 93 T HA 0.324 4.692 4.350 0.031 0.000 0.318 93 T C -0.945 173.781 174.700 0.043 0.000 0.979 93 T CA -0.526 61.598 62.100 0.039 0.000 1.025 93 T CB 1.739 70.628 68.868 0.034 0.000 1.002 93 T HN -0.172 nan 8.240 nan 0.000 0.453 94 V N 3.954 123.897 119.914 0.049 0.000 2.630 94 V HA 0.498 4.636 4.120 0.031 0.000 0.305 94 V C 0.174 176.312 176.094 0.072 0.000 1.046 94 V CA -0.963 61.369 62.300 0.054 0.000 0.934 94 V CB 1.909 33.762 31.823 0.050 0.000 1.003 94 V HN 0.662 nan 8.190 nan 0.000 0.451 95 K N 2.889 123.333 120.400 0.073 0.000 2.130 95 K HA 0.425 4.764 4.320 0.031 0.000 0.268 95 K C -0.621 176.058 176.600 0.132 0.000 0.983 95 K CA -0.625 55.718 56.287 0.094 0.000 0.893 95 K CB 1.195 33.734 32.500 0.065 0.000 1.066 95 K HN 0.753 nan 8.250 nan 0.000 0.450 96 H N 1.628 120.738 119.070 0.067 0.000 2.472 96 H HA 0.159 4.734 4.556 0.031 0.000 0.338 96 H C -1.325 174.068 175.328 0.108 0.000 1.133 96 H CA -0.467 55.630 56.048 0.081 0.000 1.216 96 H CB 1.790 31.613 29.762 0.103 0.000 1.497 96 H HN 0.542 nan 8.280 nan 0.000 0.500 97 D N 5.000 125.009 120.400 -0.651 0.000 2.441 97 D HA -0.029 4.629 4.640 0.031 0.000 0.231 97 D C 0.966 176.999 176.300 -0.445 0.000 1.073 97 D CA -0.484 53.291 54.000 -0.375 0.000 0.850 97 D CB 0.243 40.912 40.800 -0.219 0.000 1.062 97 D HN 0.642 nan 8.370 nan 0.000 0.524 98 W N 4.089 125.263 121.300 -0.211 0.000 2.333 98 W HA -0.221 4.454 4.660 0.025 0.000 0.316 98 W C 0.663 177.172 176.519 -0.016 0.000 1.215 98 W CA 1.220 58.562 57.345 -0.004 0.000 1.278 98 W CB 0.192 29.707 29.460 0.091 0.000 1.154 98 W HN 0.416 nan 8.180 nan 0.000 0.486 99 D N 0.038 120.514 120.400 0.126 0.000 2.104 99 D HA -0.222 4.436 4.640 0.031 0.000 0.194 99 D C 2.064 178.313 176.300 -0.085 0.000 0.994 99 D CA 1.900 55.921 54.000 0.035 0.000 0.830 99 D CB -0.542 40.320 40.800 0.103 0.000 0.959 99 D HN 0.048 nan 8.370 nan 0.000 0.452 100 R N 0.377 120.818 120.500 -0.098 0.000 2.105 100 R HA -0.070 4.289 4.340 0.031 0.000 0.239 100 R C 2.220 178.437 176.300 -0.139 0.000 1.135 100 R CA 1.129 57.165 56.100 -0.107 0.000 0.967 100 R CB -0.506 29.727 30.300 -0.113 0.000 0.861 100 R HN 0.236 nan 8.270 nan 0.000 0.442 101 M N -0.669 118.810 119.600 -0.202 0.000 2.099 101 M HA -0.135 4.364 4.480 0.031 0.000 0.262 101 M C 1.323 177.471 176.300 -0.253 0.000 1.067 101 M CA 1.547 56.733 55.300 -0.190 0.000 1.124 101 M CB -0.008 32.512 32.600 -0.132 0.000 1.353 101 M HN 0.119 nan 8.290 nan 0.000 0.410 102 I N 0.807 121.149 120.570 -0.380 0.000 2.226 102 I HA -0.279 3.909 4.170 0.031 0.000 0.245 102 I C 2.330 178.357 176.117 -0.150 0.000 1.100 102 I CA 1.690 62.803 61.300 -0.312 0.000 1.374 102 I CB -1.739 36.056 38.000 -0.342 0.000 1.057 102 I HN 0.518 nan 8.210 nan 0.000 0.413 103 E N 0.995 121.125 120.200 -0.116 0.000 2.118 103 E HA -0.211 4.157 4.350 0.031 0.000 0.195 103 E C 2.260 178.827 176.600 -0.056 0.000 0.992 103 E CA 1.468 57.830 56.400 -0.064 0.000 0.804 103 E CB 0.101 29.773 29.700 -0.048 0.000 0.741 103 E HN 0.447 nan 8.360 nan 0.000 0.458 104 A N 0.340 123.117 122.820 -0.073 0.000 1.872 104 A HA -0.081 4.258 4.320 0.031 0.000 0.214 104 A C 2.405 179.966 177.584 -0.039 0.000 1.187 104 A CA 1.164 53.169 52.037 -0.053 0.000 0.614 104 A CB -0.632 18.328 19.000 -0.067 0.000 0.826 104 A HN 0.213 nan 8.150 nan 0.000 0.442 105 V N 0.317 120.188 119.914 -0.073 0.000 2.332 105 V HA -0.275 3.863 4.120 0.031 0.000 0.248 105 V C 2.745 178.826 176.094 -0.021 0.000 1.055 105 V CA 2.123 64.387 62.300 -0.060 0.000 1.038 105 V CB -0.705 31.048 31.823 -0.116 0.000 0.651 105 V HN 0.543 nan 8.190 nan 0.000 0.450 106 Q N -0.287 119.495 119.800 -0.031 0.000 2.167 106 Q HA -0.166 4.193 4.340 0.031 0.000 0.202 106 Q C 2.060 178.057 176.000 -0.005 0.000 0.970 106 Q CA 1.519 57.314 55.803 -0.012 0.000 0.855 106 Q CB -0.615 28.120 28.738 -0.005 0.000 0.911 106 Q HN 0.696 nan 8.270 nan 0.000 0.438 107 N N -0.068 118.631 118.700 -0.002 0.000 2.142 107 N HA -0.155 4.604 4.740 0.031 0.000 0.186 107 N C 1.641 177.151 175.510 -0.000 0.000 1.023 107 N CA 1.197 54.246 53.050 -0.002 0.000 0.852 107 N CB -0.279 38.207 38.487 -0.002 0.000 0.998 107 N HN 0.319 nan 8.380 nan 0.000 0.424 108 H N 0.431 119.472 119.070 -0.048 0.000 2.353 108 H HA 0.090 4.665 4.556 0.031 0.000 0.300 108 H C 1.819 177.126 175.328 -0.034 0.000 1.090 108 H CA 1.410 57.429 56.048 -0.049 0.000 1.327 108 H CB -0.243 29.474 29.762 -0.074 0.000 1.383 108 H HN 0.172 nan 8.280 nan 0.000 0.508 109 I N -0.290 120.209 120.570 -0.119 0.000 2.163 109 I HA -0.236 3.953 4.170 0.031 0.000 0.243 109 I C 2.700 178.768 176.117 -0.081 0.000 1.085 109 I CA 1.375 62.601 61.300 -0.123 0.000 1.347 109 I CB -0.666 37.292 38.000 -0.070 0.000 1.044 109 I HN 0.468 nan 8.210 nan 0.000 0.408 110 G N -0.200 108.581 108.800 -0.031 0.000 2.450 110 G HA2 -0.312 3.667 3.960 0.031 0.000 0.220 110 G HA3 -0.312 3.667 3.960 0.031 0.000 0.220 110 G C 1.781 176.710 174.900 0.049 0.000 1.130 110 G CA 1.128 46.250 45.100 0.037 0.000 0.760 110 G HN 0.465 nan 8.290 nan 0.000 0.557 111 S N 0.011 115.675 115.700 -0.060 0.000 2.406 111 S HA 0.055 4.544 4.470 0.031 0.000 0.228 111 S C 2.364 176.929 174.600 -0.058 0.000 1.020 111 S CA 0.842 59.013 58.200 -0.048 0.000 0.965 111 S CB -0.210 62.913 63.200 -0.129 0.000 0.798 111 S HN 0.321 nan 8.310 nan 0.000 0.488 112 L N 1.305 122.435 121.223 -0.155 0.000 2.179 112 L HA 0.021 4.380 4.340 0.031 0.000 0.208 112 L C 2.572 179.481 176.870 0.065 0.000 1.096 112 L CA 0.685 55.462 54.840 -0.105 0.000 0.779 112 L CB -0.779 41.235 42.059 -0.076 0.000 0.922 112 L HN 0.270 nan 8.230 nan 0.000 0.443 113 N N -0.017 118.737 118.700 0.091 0.000 2.036 113 N HA -0.265 4.493 4.740 0.031 0.000 0.195 113 N C 1.620 177.141 175.510 0.018 0.000 1.037 113 N CA 1.559 54.671 53.050 0.102 0.000 0.855 113 N CB -0.427 38.141 38.487 0.134 0.000 1.033 113 N HN 0.452 nan 8.380 nan 0.000 0.423 114 W N 1.884 123.166 121.300 -0.029 0.000 2.358 114 W HA -0.080 4.596 4.660 0.027 0.000 0.303 114 W C 2.237 178.709 176.519 -0.079 0.000 1.208 114 W CA 1.694 59.013 57.345 -0.044 0.000 1.274 114 W CB -0.644 28.787 29.460 -0.049 0.000 1.138 114 W HN 0.097 nan 8.180 nan 0.000 0.515 115 G N -0.908 107.844 108.800 -0.080 0.000 2.418 115 G HA2 -0.337 3.642 3.960 0.031 0.000 0.217 115 G HA3 -0.337 3.642 3.960 0.031 0.000 0.217 115 G C 1.184 175.883 174.900 -0.336 0.000 1.158 115 G CA 0.943 45.919 45.100 -0.206 0.000 0.771 115 G HN 0.223 nan 8.290 nan 0.000 0.545 116 Y N 0.489 120.666 120.300 -0.205 0.000 2.128 116 Y HA -0.089 4.479 4.550 0.030 0.000 0.284 116 Y C 3.002 178.704 175.900 -0.331 0.000 1.154 116 Y CA 1.611 59.566 58.100 -0.242 0.000 1.149 116 Y CB -0.391 37.925 38.460 -0.241 0.000 0.976 116 Y HN 0.084 nan 8.280 nan 0.000 0.505 117 R N -0.142 120.171 120.500 -0.310 0.000 2.083 117 R HA -0.151 4.207 4.340 0.031 0.000 0.237 117 R C 2.190 178.286 176.300 -0.340 0.000 1.137 117 R CA 1.706 57.536 56.100 -0.450 0.000 0.951 117 R CB -0.853 28.997 30.300 -0.748 0.000 0.851 117 R HN 0.179 nan 8.270 nan 0.000 0.434 118 V N 0.459 120.161 119.914 -0.353 0.000 2.343 118 V HA -0.215 3.923 4.120 0.031 0.000 0.247 118 V C 2.274 178.283 176.094 -0.143 0.000 1.051 118 V CA 1.901 64.079 62.300 -0.204 0.000 1.036 118 V CB -0.773 30.974 31.823 -0.127 0.000 0.654 118 V HN 0.551 nan 8.190 nan 0.000 0.451 119 A N -0.458 122.267 122.820 -0.157 0.000 1.972 119 A HA -0.135 4.204 4.320 0.031 0.000 0.219 119 A C 2.207 179.740 177.584 -0.086 0.000 1.169 119 A CA 1.635 53.602 52.037 -0.118 0.000 0.635 119 A CB -0.423 18.496 19.000 -0.136 0.000 0.810 119 A HN 0.517 nan 8.150 nan 0.000 0.446 120 L N -1.569 119.596 121.223 -0.096 0.000 2.023 120 L HA -0.117 4.242 4.340 0.031 0.000 0.205 120 L C 2.761 179.599 176.870 -0.054 0.000 1.073 120 L CA 1.546 56.342 54.840 -0.073 0.000 0.745 120 L CB -0.507 41.495 42.059 -0.095 0.000 0.900 120 L HN 0.384 nan 8.230 nan 0.000 0.435 121 R N 0.276 120.739 120.500 -0.061 0.000 2.096 121 R HA -0.259 4.100 4.340 0.031 0.000 0.240 121 R C 2.246 178.528 176.300 -0.031 0.000 1.139 121 R CA 2.075 58.154 56.100 -0.034 0.000 0.952 121 R CB -0.171 30.106 30.300 -0.039 0.000 0.854 121 R HN 0.343 nan 8.270 nan 0.000 0.436 122 E N 0.124 120.299 120.200 -0.043 0.000 2.038 122 E HA -0.189 4.180 4.350 0.031 0.000 0.195 122 E C 1.098 177.675 176.600 -0.038 0.000 1.000 122 E CA 1.351 57.728 56.400 -0.039 0.000 0.803 122 E CB 0.176 29.847 29.700 -0.049 0.000 0.750 122 E HN 0.149 nan 8.360 nan 0.000 0.448 123 K N 0.514 120.887 120.400 -0.045 0.000 2.551 123 K HA -0.035 4.304 4.320 0.031 0.000 0.192 123 K C -0.015 176.563 176.600 -0.037 0.000 1.027 123 K CA 0.270 56.528 56.287 -0.048 0.000 1.059 123 K CB 0.375 32.841 32.500 -0.057 0.000 0.831 123 K HN 0.064 nan 8.250 nan 0.000 0.508 124 K N -0.335 120.050 120.400 -0.025 0.000 3.192 124 K HA -0.127 4.211 4.320 0.031 0.000 0.278 124 K C -0.363 176.237 176.600 0.000 0.000 1.164 124 K CA 0.316 56.596 56.287 -0.012 0.000 0.816 124 K CB -2.603 29.887 32.500 -0.016 0.000 1.256 124 K HN 0.014 nan 8.250 nan 0.000 0.497 125 V N 1.201 121.112 119.914 -0.004 0.000 2.481 125 V HA 0.255 4.394 4.120 0.031 0.000 0.286 125 V C 0.840 176.948 176.094 0.023 0.000 1.042 125 V CA -0.851 61.451 62.300 0.003 0.000 0.928 125 V CB 1.990 33.801 31.823 -0.018 0.000 0.986 125 V HN 0.053 nan 8.190 nan 0.000 0.462 126 V N 5.358 125.290 119.914 0.029 0.000 2.546 126 V HA 0.244 4.382 4.120 0.031 0.000 0.284 126 V C -0.577 175.531 176.094 0.023 0.000 1.050 126 V CA -0.457 61.860 62.300 0.027 0.000 0.981 126 V CB 1.073 32.910 31.823 0.024 0.000 0.990 126 V HN 0.735 nan 8.190 nan 0.000 0.474 127 Y N 4.341 124.584 120.300 -0.096 0.000 2.335 127 Y HA 0.607 5.174 4.550 0.029 0.000 0.338 127 Y C -0.251 175.597 175.900 -0.086 0.000 0.977 127 Y CA -1.262 56.776 58.100 -0.104 0.000 1.114 127 Y CB 1.392 39.797 38.460 -0.092 0.000 1.182 127 Y HN 0.606 nan 8.280 nan 0.000 0.463 128 E N 5.048 124.929 120.200 -0.532 0.000 2.199 128 E HA 0.149 4.517 4.350 0.031 0.000 0.265 128 E C -1.094 175.096 176.600 -0.684 0.000 0.882 128 E CA -0.591 55.481 56.400 -0.547 0.000 0.759 128 E CB 1.576 31.121 29.700 -0.258 0.000 1.148 128 E HN 0.824 nan 8.360 nan 0.000 0.412 129 N N 1.960 120.260 118.700 -0.667 0.000 3.124 129 N HA 0.317 5.076 4.740 0.031 0.000 0.284 129 N C -1.200 174.348 175.510 0.063 0.000 1.209 129 N CA -0.050 52.814 53.050 -0.310 0.000 1.149 129 N CB 0.164 38.515 38.487 -0.227 0.000 1.434 129 N HN 0.408 nan 8.380 nan 0.000 0.529 130 A N 2.202 125.099 122.820 0.129 0.000 2.549 130 A HA 0.246 4.585 4.320 0.031 0.000 0.297 130 A C -1.710 175.973 177.584 0.164 0.000 1.061 130 A CA -0.600 51.540 52.037 0.172 0.000 0.690 130 A CB 0.795 19.834 19.000 0.064 0.000 1.287 130 A HN 0.567 nan 8.150 nan 0.000 0.402 131 Y N 1.417 121.618 120.300 -0.165 0.000 2.402 131 Y HA 0.470 5.039 4.550 0.032 0.000 0.333 131 Y C 0.797 176.630 175.900 -0.111 0.000 1.076 131 Y CA 0.955 58.940 58.100 -0.192 0.000 1.299 131 Y CB 0.833 38.993 38.460 -0.501 0.000 1.197 131 Y HN 0.822 nan 8.280 nan 0.000 0.517 132 G N 4.923 113.512 108.800 -0.352 0.000 2.441 132 G HA2 0.585 4.564 3.960 0.031 0.000 0.334 132 G HA3 0.585 4.564 3.960 0.031 0.000 0.334 132 G C -1.849 172.905 174.900 -0.242 0.000 1.161 132 G CA -0.850 44.127 45.100 -0.206 0.000 0.935 132 G HN 0.732 nan 8.290 nan 0.000 0.488 133 Q N 0.137 119.859 119.800 -0.131 0.000 2.468 133 Q HA 0.336 4.695 4.340 0.031 0.000 0.263 133 Q C -1.705 174.260 176.000 -0.059 0.000 0.979 133 Q CA -0.907 54.852 55.803 -0.074 0.000 0.932 133 Q CB 1.020 29.822 28.738 0.106 0.000 1.462 133 Q HN 0.323 nan 8.270 nan 0.000 0.403 134 F N 2.641 122.581 119.950 -0.017 0.000 2.563 134 F HA 0.141 4.687 4.527 0.032 0.000 0.363 134 F C 1.477 177.262 175.800 -0.023 0.000 1.123 134 F CA 0.176 58.141 58.000 -0.058 0.000 1.307 134 F CB 0.660 39.579 39.000 -0.134 0.000 1.115 134 F HN 0.672 nan 8.300 nan 0.000 0.592 135 I N -0.777 119.912 120.570 0.197 0.000 4.323 135 I HA 0.628 4.817 4.170 0.031 0.000 0.328 135 I C 0.645 176.817 176.117 0.091 0.000 1.310 135 I CA 0.148 61.517 61.300 0.116 0.000 1.186 135 I CB 0.425 38.478 38.000 0.088 0.000 1.130 135 I HN 0.552 nan 8.210 nan 0.000 0.411 136 G N 1.015 109.875 108.800 0.100 0.000 2.356 136 G HA2 0.378 4.357 3.960 0.031 0.000 0.294 136 G HA3 0.378 4.357 3.960 0.031 0.000 0.294 136 G C -3.265 171.676 174.900 0.069 0.000 1.423 136 G CA -0.946 44.193 45.100 0.065 0.000 0.806 136 G HN -0.211 nan 8.290 nan 0.000 0.527 137 P HA 0.084 nan 4.420 nan 0.000 0.261 137 P C 0.200 177.641 177.300 0.234 0.000 1.173 137 P CA 0.691 63.877 63.100 0.143 0.000 0.760 137 P CB -0.053 31.751 31.700 0.173 0.000 0.783 138 H N -0.153 118.969 119.070 0.087 0.000 2.932 138 H HA -0.226 4.349 4.556 0.031 0.000 0.290 138 H C 0.145 175.624 175.328 0.253 0.000 1.108 138 H CA 1.001 57.111 56.048 0.104 0.000 1.172 138 H CB -0.821 28.896 29.762 -0.074 0.000 1.325 138 H HN 0.540 nan 8.280 nan 0.000 0.354 139 R N -0.103 120.557 120.500 0.267 0.000 2.795 139 R HA 0.777 5.136 4.340 0.031 0.000 0.275 139 R C -0.498 175.966 176.300 0.272 0.000 0.981 139 R CA -0.773 55.524 56.100 0.328 0.000 0.917 139 R CB 2.890 33.337 30.300 0.246 0.000 1.202 139 R HN 0.133 nan 8.270 nan 0.000 0.469 140 I N 0.396 121.138 120.570 0.286 0.000 2.827 140 I HA 0.384 4.573 4.170 0.031 0.000 0.298 140 I C -1.486 174.716 176.117 0.140 0.000 1.235 140 I CA -0.762 60.639 61.300 0.168 0.000 1.021 140 I CB 2.279 40.346 38.000 0.111 0.000 1.259 140 I HN 0.480 nan 8.210 nan 0.000 0.427 141 K N 5.186 125.631 120.400 0.075 0.000 2.123 141 K HA 0.853 5.192 4.320 0.031 0.000 0.259 141 K C -1.393 175.246 176.600 0.065 0.000 0.960 141 K CA -0.574 55.743 56.287 0.050 0.000 0.872 141 K CB 1.736 34.256 32.500 0.033 0.000 1.079 141 K HN 0.676 nan 8.250 nan 0.000 0.440 142 A N 2.375 125.238 122.820 0.071 0.000 2.359 142 A HA 0.491 4.829 4.320 0.031 0.000 0.303 142 A C -1.223 176.389 177.584 0.047 0.000 1.066 142 A CA -0.672 51.422 52.037 0.095 0.000 0.730 142 A CB 1.639 20.773 19.000 0.224 0.000 1.211 142 A HN 0.643 nan 8.150 nan 0.000 0.439 143 T N 3.043 117.607 114.554 0.016 0.000 2.809 143 T HA 0.456 4.824 4.350 0.031 0.000 0.284 143 T C 0.275 174.927 174.700 -0.080 0.000 0.992 143 T CA -0.725 61.347 62.100 -0.046 0.000 0.957 143 T CB 1.007 69.812 68.868 -0.104 0.000 0.942 143 T HN 0.884 nan 8.240 nan 0.000 0.439 144 N N 2.299 120.983 118.700 -0.026 0.000 2.374 144 N HA 0.136 4.894 4.740 0.031 0.000 0.284 144 N C 0.937 176.468 175.510 0.035 0.000 1.280 144 N CA -0.784 52.287 53.050 0.035 0.000 0.963 144 N CB 0.208 38.728 38.487 0.056 0.000 1.141 144 N HN 0.510 nan 8.380 nan 0.000 0.565 145 N N -0.815 117.987 118.700 0.170 0.000 2.331 145 N HA -0.048 4.710 4.740 0.031 0.000 0.180 145 N C 0.498 176.051 175.510 0.071 0.000 1.019 145 N CA 0.670 53.834 53.050 0.190 0.000 0.881 145 N CB 0.058 38.684 38.487 0.232 0.000 0.972 145 N HN 0.464 nan 8.380 nan 0.000 0.435 146 K N -0.313 120.113 120.400 0.045 0.000 2.487 146 K HA 0.075 4.414 4.320 0.031 0.000 0.192 146 K C 0.931 177.529 176.600 -0.003 0.000 1.027 146 K CA 0.487 56.786 56.287 0.021 0.000 1.054 146 K CB 0.403 32.916 32.500 0.021 0.000 0.824 146 K HN 0.295 nan 8.250 nan 0.000 0.510 147 G N 2.290 111.077 108.800 -0.021 0.000 2.195 147 G HA2 -0.329 3.649 3.960 0.031 0.000 0.246 147 G HA3 -0.329 3.649 3.960 0.031 0.000 0.246 147 G C 0.076 174.954 174.900 -0.036 0.000 0.984 147 G CA 0.131 45.204 45.100 -0.045 0.000 0.633 147 G HN 0.341 nan 8.290 nan 0.000 0.525 148 K N 1.419 121.808 120.400 -0.019 0.000 2.448 148 K HA 0.389 4.728 4.320 0.031 0.000 0.278 148 K C 0.301 176.889 176.600 -0.020 0.000 1.009 148 K CA 0.382 56.660 56.287 -0.014 0.000 0.995 148 K CB 0.174 32.673 32.500 -0.001 0.000 0.917 148 K HN 0.508 nan 8.250 nan 0.000 0.481 149 E N 3.118 123.302 120.200 -0.028 0.000 2.281 149 E HA 0.473 4.842 4.350 0.031 0.000 0.262 149 E C -1.024 175.536 176.600 -0.066 0.000 0.933 149 E CA -1.186 55.191 56.400 -0.037 0.000 0.809 149 E CB 1.921 31.598 29.700 -0.039 0.000 1.242 149 E HN 0.390 nan 8.360 nan 0.000 0.418 150 K N 1.043 121.376 120.400 -0.112 0.000 2.568 150 K HA 0.493 4.831 4.320 0.031 0.000 0.273 150 K C -1.156 175.233 176.600 -0.350 0.000 0.951 150 K CA -0.575 55.558 56.287 -0.258 0.000 0.854 150 K CB 1.992 34.278 32.500 -0.358 0.000 1.424 150 K HN 0.452 nan 8.250 nan 0.000 0.427 151 I N 1.863 122.185 120.570 -0.413 0.000 2.474 151 I HA 0.446 4.634 4.170 0.031 0.000 0.294 151 I C -1.149 174.757 176.117 -0.353 0.000 1.005 151 I CA -0.885 60.260 61.300 -0.259 0.000 1.113 151 I CB 1.249 39.205 38.000 -0.073 0.000 1.289 151 I HN 0.467 nan 8.210 nan 0.000 0.436 152 Y N 2.866 123.260 120.300 0.157 0.000 2.512 152 Y HA 0.497 5.065 4.550 0.030 0.000 0.348 152 Y C 0.129 176.210 175.900 0.301 0.000 0.990 152 Y CA -0.814 57.416 58.100 0.218 0.000 1.033 152 Y CB 2.293 40.866 38.460 0.189 0.000 1.259 152 Y HN 0.523 nan 8.280 nan 0.000 0.461 153 S N 1.322 117.326 115.700 0.505 0.000 2.607 153 S HA 0.992 5.481 4.470 0.031 0.000 0.303 153 S C -0.929 173.935 174.600 0.439 0.000 1.086 153 S CA -0.457 58.056 58.200 0.522 0.000 0.995 153 S CB 2.111 65.613 63.200 0.503 0.000 1.084 153 S HN 1.144 nan 8.310 nan 0.000 0.507 154 A N 0.614 123.610 122.820 0.294 0.000 2.589 154 A HA 0.614 4.953 4.320 0.031 0.000 0.296 154 A C 0.347 177.774 177.584 -0.262 0.000 1.062 154 A CA -0.388 51.638 52.037 -0.018 0.000 0.686 154 A CB 0.977 19.723 19.000 -0.424 0.000 1.282 154 A HN 0.980 nan 8.150 nan 0.000 0.404 155 E N 0.364 120.426 120.200 -0.231 0.000 2.085 155 E HA -0.111 4.258 4.350 0.031 0.000 0.194 155 E C 0.539 177.250 176.600 0.186 0.000 0.994 155 E CA 1.254 57.546 56.400 -0.180 0.000 0.801 155 E CB 0.100 29.897 29.700 0.163 0.000 0.743 155 E HN 0.578 nan 8.360 nan 0.000 0.453 156 R N -1.324 119.319 120.500 0.238 0.000 2.867 156 R HA 0.459 4.818 4.340 0.031 0.000 0.268 156 R C -1.362 175.117 176.300 0.298 0.000 1.014 156 R CA -0.787 55.582 56.100 0.448 0.000 0.946 156 R CB 1.330 31.863 30.300 0.389 0.000 1.208 156 R HN -0.094 nan 8.270 nan 0.000 0.477 157 F N 0.767 120.888 119.950 0.284 0.000 2.576 157 F HA 0.491 5.036 4.527 0.030 0.000 0.313 157 F C -0.784 175.146 175.800 0.218 0.000 1.078 157 F CA -1.000 57.140 58.000 0.233 0.000 0.921 157 F CB 1.795 41.002 39.000 0.345 0.000 1.232 157 F HN 0.193 nan 8.300 nan 0.000 0.459 158 L N 4.095 125.491 121.223 0.288 0.000 2.349 158 L HA 0.675 5.034 4.340 0.031 0.000 0.278 158 L C -1.286 175.688 176.870 0.173 0.000 0.996 158 L CA -0.357 54.612 54.840 0.216 0.000 0.825 158 L CB 1.107 43.235 42.059 0.114 0.000 1.243 158 L HN 0.486 nan 8.230 nan 0.000 0.412 159 I N 5.479 126.151 120.570 0.172 0.000 2.331 159 I HA 0.624 4.813 4.170 0.031 0.000 0.292 159 I C 0.278 176.441 176.117 0.077 0.000 0.998 159 I CA -0.291 61.082 61.300 0.122 0.000 1.267 159 I CB 1.601 39.682 38.000 0.134 0.000 1.386 159 I HN 0.844 nan 8.210 nan 0.000 0.476 160 A N 3.481 126.327 122.820 0.043 0.000 3.453 160 A HA 0.306 4.645 4.320 0.031 0.000 0.262 160 A C 0.545 178.139 177.584 0.017 0.000 1.026 160 A CA -0.407 51.648 52.037 0.031 0.000 0.938 160 A CB -0.237 18.775 19.000 0.019 0.000 1.246 160 A HN 0.749 nan 8.150 nan 0.000 0.546 161 T N -2.429 112.138 114.554 0.022 0.000 3.086 161 T HA 0.468 4.836 4.350 0.031 0.000 0.250 161 T C 1.291 176.019 174.700 0.046 0.000 1.074 161 T CA 0.903 63.014 62.100 0.018 0.000 0.988 161 T CB -0.127 68.741 68.868 -0.000 0.000 0.988 161 T HN 2.131 nan 8.240 nan 0.000 0.530 162 G N 1.502 110.331 108.800 0.049 0.000 2.641 162 G HA2 -0.148 3.830 3.960 0.031 0.000 0.254 162 G HA3 -0.148 3.830 3.960 0.031 0.000 0.254 162 G C -0.630 174.317 174.900 0.078 0.000 1.315 162 G CA 0.060 45.197 45.100 0.062 0.000 0.907 162 G HN 0.669 nan 8.290 nan 0.000 0.572 163 E N -0.850 119.406 120.200 0.094 0.000 2.442 163 E HA 0.840 5.209 4.350 0.031 0.000 0.261 163 E C -0.268 176.413 176.600 0.136 0.000 0.935 163 E CA -1.176 55.286 56.400 0.105 0.000 0.856 163 E CB 1.474 31.229 29.700 0.090 0.000 1.571 163 E HN 0.501 nan 8.360 nan 0.000 0.431 164 R N 0.139 120.724 120.500 0.142 0.000 2.680 164 R HA 0.364 4.723 4.340 0.031 0.000 0.269 164 R C -2.892 173.499 176.300 0.152 0.000 1.026 164 R CA -2.347 53.859 56.100 0.176 0.000 0.889 164 R CB 1.082 31.501 30.300 0.200 0.000 1.241 164 R HN 0.323 nan 8.270 nan 0.000 0.463 165 P HA 0.007 nan 4.420 nan 0.000 0.260 165 P C -0.133 177.208 177.300 0.068 0.000 1.185 165 P CA 0.145 63.290 63.100 0.076 0.000 0.763 165 P CB 0.381 32.103 31.700 0.036 0.000 0.776 166 R N 3.693 124.219 120.500 0.042 0.000 2.582 166 R HA 0.242 4.601 4.340 0.031 0.000 0.271 166 R C -0.848 175.453 176.300 0.001 0.000 1.078 166 R CA -0.043 56.107 56.100 0.083 0.000 1.127 166 R CB 0.256 30.602 30.300 0.076 0.000 1.038 166 R HN 0.322 nan 8.270 nan 0.000 0.500 167 Y N 1.673 122.004 120.300 0.053 0.000 2.602 167 Y HA 0.232 4.800 4.550 0.030 0.000 0.330 167 Y C 1.098 177.022 175.900 0.040 0.000 1.114 167 Y CA -0.685 57.442 58.100 0.044 0.000 1.182 167 Y CB 1.601 40.083 38.460 0.037 0.000 1.305 167 Y HN 0.477 nan 8.280 nan 0.000 0.502 168 L N 1.033 122.386 121.223 0.217 0.000 2.270 168 L HA 0.146 4.505 4.340 0.031 0.000 0.210 168 L C 0.855 177.799 176.870 0.123 0.000 1.104 168 L CA 0.952 55.871 54.840 0.133 0.000 0.804 168 L CB -0.286 41.836 42.059 0.105 0.000 0.937 168 L HN 1.048 nan 8.230 nan 0.000 0.450 169 G N 1.823 110.708 108.800 0.141 0.000 2.368 169 G HA2 -0.245 3.733 3.960 0.031 0.000 0.290 169 G HA3 -0.245 3.733 3.960 0.031 0.000 0.290 169 G C -0.200 174.741 174.900 0.070 0.000 1.098 169 G CA 0.468 45.618 45.100 0.084 0.000 1.073 169 G HN 0.450 nan 8.290 nan 0.000 0.511 170 I N -3.095 117.521 120.570 0.077 0.000 2.894 170 I HA 0.753 4.941 4.170 0.031 0.000 0.302 170 I C -2.477 173.682 176.117 0.070 0.000 1.188 170 I CA -3.330 58.012 61.300 0.071 0.000 1.014 170 I CB 2.338 40.386 38.000 0.080 0.000 1.242 170 I HN -0.084 nan 8.210 nan 0.000 0.430 171 P HA 0.121 nan 4.420 nan 0.000 0.261 171 P C 0.805 178.181 177.300 0.127 0.000 1.183 171 P CA 1.383 64.531 63.100 0.080 0.000 0.761 171 P CB 0.583 32.333 31.700 0.084 0.000 0.785 172 G N 3.643 112.501 108.800 0.097 0.000 2.241 172 G HA2 -0.283 3.696 3.960 0.031 0.000 0.244 172 G HA3 -0.283 3.696 3.960 0.031 0.000 0.244 172 G C 0.848 175.774 174.900 0.043 0.000 0.998 172 G CA 0.598 45.776 45.100 0.130 0.000 0.621 172 G HN 0.547 nan 8.290 nan 0.000 0.519 173 D N 1.259 121.712 120.400 0.089 0.000 2.106 173 D HA -0.111 4.548 4.640 0.031 0.000 0.194 173 D C 1.985 178.375 176.300 0.151 0.000 0.988 173 D CA 1.756 55.862 54.000 0.176 0.000 0.845 173 D CB -0.796 40.168 40.800 0.273 0.000 0.990 173 D HN 0.466 nan 8.370 nan 0.000 0.448 174 K N 0.049 120.423 120.400 -0.043 0.000 2.281 174 K HA -0.127 4.212 4.320 0.031 0.000 0.203 174 K C 2.155 178.655 176.600 -0.166 0.000 1.046 174 K CA 1.415 57.572 56.287 -0.216 0.000 0.938 174 K CB -0.010 32.236 32.500 -0.425 0.000 0.737 174 K HN 0.239 nan 8.250 nan 0.000 0.458 175 E N -0.811 119.206 120.200 -0.304 0.000 2.086 175 E HA -0.101 4.268 4.350 0.031 0.000 0.190 175 E C 0.935 177.239 176.600 -0.494 0.000 0.975 175 E CA 1.144 57.225 56.400 -0.533 0.000 0.813 175 E CB 0.065 29.188 29.700 -0.963 0.000 0.768 175 E HN 0.382 nan 8.360 nan 0.000 0.457 176 Y N -1.422 118.927 120.300 0.083 0.000 2.426 176 Y HA 0.322 4.890 4.550 0.030 0.000 0.249 176 Y C 0.518 176.476 175.900 0.097 0.000 1.103 176 Y CA -1.047 57.102 58.100 0.082 0.000 1.256 176 Y CB -0.076 38.420 38.460 0.061 0.000 1.208 176 Y HN -0.057 nan 8.280 nan 0.000 0.519 177 C N 2.258 121.681 119.300 0.205 0.000 2.362 177 C HA 0.693 5.171 4.460 0.031 0.000 0.363 177 C C 0.612 175.696 174.990 0.156 0.000 1.220 177 C CA -1.101 58.019 59.018 0.170 0.000 2.379 177 C CB 0.412 28.242 27.740 0.151 0.000 2.351 177 C HN 0.404 nan 8.230 nan 0.000 0.582 178 I N 0.151 120.775 120.570 0.091 0.000 2.957 178 I HA 0.862 5.051 4.170 0.031 0.000 0.310 178 I C -0.075 176.039 176.117 -0.004 0.000 1.063 178 I CA -0.132 61.214 61.300 0.076 0.000 1.033 178 I CB 2.125 40.163 38.000 0.063 0.000 1.230 178 I HN 0.713 nan 8.210 nan 0.000 0.447 179 S N 0.940 116.635 115.700 -0.007 0.000 2.874 179 S HA 0.378 4.867 4.470 0.031 0.000 0.318 179 S C 0.881 175.458 174.600 -0.038 0.000 1.109 179 S CA 0.076 58.237 58.200 -0.065 0.000 0.878 179 S CB 0.950 64.090 63.200 -0.100 0.000 1.307 179 S HN 0.923 nan 8.310 nan 0.000 0.592 180 S N 0.093 115.780 115.700 -0.022 0.000 2.442 180 S HA -0.105 4.383 4.470 0.031 0.000 0.236 180 S C 0.853 175.479 174.600 0.042 0.000 1.007 180 S CA 1.347 59.528 58.200 -0.031 0.000 0.965 180 S CB -0.892 62.380 63.200 0.121 0.000 0.773 180 S HN 0.661 nan 8.310 nan 0.000 0.504 181 D N 1.965 122.436 120.400 0.118 0.000 2.178 181 D HA -0.023 4.636 4.640 0.031 0.000 0.202 181 D C 1.471 177.892 176.300 0.203 0.000 0.974 181 D CA 1.083 55.199 54.000 0.194 0.000 0.841 181 D CB -0.276 40.805 40.800 0.468 0.000 0.953 181 D HN 0.525 nan 8.370 nan 0.000 0.478 182 D N -0.244 120.239 120.400 0.140 0.000 2.277 182 D HA -0.041 4.618 4.640 0.031 0.000 0.209 182 D C 2.162 178.488 176.300 0.044 0.000 0.970 182 D CA -0.039 54.033 54.000 0.120 0.000 0.874 182 D CB 0.193 41.060 40.800 0.111 0.000 0.982 182 D HN 0.098 nan 8.370 nan 0.000 0.504 183 L N 0.859 122.038 121.223 -0.074 0.000 1.989 183 L HA -0.166 4.193 4.340 0.031 0.000 0.211 183 L C 1.872 178.707 176.870 -0.058 0.000 1.071 183 L CA 1.647 56.415 54.840 -0.121 0.000 0.749 183 L CB -0.942 40.911 42.059 -0.344 0.000 0.890 183 L HN -0.150 nan 8.230 nan 0.000 0.431 184 F N -0.154 119.862 119.950 0.110 0.000 2.449 184 F HA -0.124 4.421 4.527 0.029 0.000 0.299 184 F C 2.201 177.999 175.800 -0.004 0.000 1.092 184 F CA 1.034 59.047 58.000 0.022 0.000 1.446 184 F CB -1.042 37.913 39.000 -0.074 0.000 1.084 184 F HN 0.408 nan 8.300 nan 0.000 0.567 185 S N -1.722 114.068 115.700 0.151 0.000 2.846 185 S HA 0.260 4.749 4.470 0.031 0.000 0.249 185 S C 0.100 174.761 174.600 0.101 0.000 1.028 185 S CA -0.527 57.737 58.200 0.106 0.000 1.043 185 S CB -0.554 62.714 63.200 0.114 0.000 0.990 185 S HN 0.011 nan 8.310 nan 0.000 0.564 186 L N 3.751 125.065 121.223 0.152 0.000 2.667 186 L HA 0.193 4.551 4.340 0.031 0.000 0.278 186 L C -1.685 175.208 176.870 0.037 0.000 1.217 186 L CA -0.884 53.971 54.840 0.024 0.000 0.935 186 L CB 0.326 42.420 42.059 0.060 0.000 1.193 186 L HN 0.070 nan 8.230 nan 0.000 0.493 187 P HA -0.031 nan 4.420 nan 0.000 0.239 187 P C -1.417 175.935 177.300 0.086 0.000 1.184 187 P CA 0.844 63.925 63.100 -0.032 0.000 0.760 187 P CB -0.082 31.619 31.700 0.001 0.000 0.884 188 Y N -4.231 116.194 120.300 0.209 0.000 2.625 188 Y HA 0.514 5.079 4.550 0.024 0.000 0.338 188 Y C -0.365 175.407 175.900 -0.213 0.000 1.123 188 Y CA -2.573 55.580 58.100 0.087 0.000 1.046 188 Y CB -0.119 38.349 38.460 0.013 0.000 1.299 188 Y HN -0.319 nan 8.280 nan 0.000 0.464 189 C N 3.496 122.729 119.300 -0.111 0.000 2.634 189 C HA 0.223 4.702 4.460 0.031 0.000 0.418 189 C C -1.067 173.683 174.990 -0.399 0.000 1.373 189 C CA -0.951 57.656 59.018 -0.686 0.000 1.756 189 C CB 0.080 27.691 27.740 -0.215 0.000 2.589 189 C HN 0.789 nan 8.230 nan 0.000 0.602 190 P HA 0.130 nan 4.420 nan 0.000 0.220 190 P C 0.982 178.192 177.300 -0.150 0.000 1.148 190 P CA 2.087 65.022 63.100 -0.276 0.000 0.803 190 P CB -0.145 31.333 31.700 -0.369 0.000 0.782 191 G N -0.444 108.255 108.800 -0.167 0.000 2.601 191 G HA2 -0.310 3.668 3.960 0.031 0.000 0.252 191 G HA3 -0.310 3.668 3.960 0.031 0.000 0.252 191 G C -0.334 174.533 174.900 -0.054 0.000 1.294 191 G CA -0.252 44.794 45.100 -0.090 0.000 0.912 191 G HN 0.457 nan 8.290 nan 0.000 0.574 192 K N 0.392 120.777 120.400 -0.026 0.000 2.484 192 K HA 0.414 4.753 4.320 0.031 0.000 0.280 192 K C -0.291 176.361 176.600 0.087 0.000 1.013 192 K CA 1.143 57.440 56.287 0.016 0.000 1.029 192 K CB -0.113 32.373 32.500 -0.023 0.000 0.902 192 K HN 0.586 nan 8.250 nan 0.000 0.481 193 T N 4.650 119.263 114.554 0.099 0.000 2.886 193 T HA 0.321 4.689 4.350 0.031 0.000 0.292 193 T C -1.418 173.254 174.700 -0.047 0.000 1.012 193 T CA -0.756 61.370 62.100 0.042 0.000 0.982 193 T CB 1.159 69.993 68.868 -0.057 0.000 1.018 193 T HN 0.462 nan 8.240 nan 0.000 0.451 194 L N 4.201 125.248 121.223 -0.294 0.000 2.296 194 L HA 0.773 5.132 4.340 0.031 0.000 0.286 194 L C -1.143 175.537 176.870 -0.317 0.000 1.023 194 L CA -0.439 54.051 54.840 -0.584 0.000 0.812 194 L CB 1.124 42.452 42.059 -1.218 0.000 1.223 194 L HN 0.455 nan 8.230 nan 0.000 0.421 195 V N 5.859 125.623 119.914 -0.250 0.000 2.448 195 V HA 0.514 4.653 4.120 0.031 0.000 0.295 195 V C -0.450 175.557 176.094 -0.146 0.000 1.025 195 V CA -0.710 61.485 62.300 -0.175 0.000 0.859 195 V CB 1.893 33.620 31.823 -0.161 0.000 0.988 195 V HN 0.521 nan 8.190 nan 0.000 0.431 196 V N 4.114 123.965 119.914 -0.103 0.000 2.370 196 V HA 0.971 5.110 4.120 0.031 0.000 0.283 196 V C 0.520 176.603 176.094 -0.020 0.000 1.023 196 V CA 0.461 62.726 62.300 -0.059 0.000 0.857 196 V CB 0.901 32.693 31.823 -0.052 0.000 0.985 196 V HN 1.294 nan 8.190 nan 0.000 0.443 197 G N 3.848 112.656 108.800 0.015 0.000 2.375 197 G HA2 0.501 4.480 3.960 0.031 0.000 0.663 197 G HA3 0.501 4.480 3.960 0.031 0.000 0.663 197 G C -0.489 174.450 174.900 0.066 0.000 1.391 197 G CA -0.054 45.071 45.100 0.042 0.000 0.949 197 G HN 1.519 nan 8.290 nan 0.000 0.646 198 A N 0.015 122.888 122.820 0.089 0.000 2.843 198 A HA 0.842 5.181 4.320 0.031 0.000 0.248 198 A C 0.449 178.096 177.584 0.104 0.000 0.904 198 A CA 1.298 53.402 52.037 0.111 0.000 1.091 198 A CB 0.213 19.291 19.000 0.130 0.000 1.208 198 A HN 2.036 nan 8.150 nan 0.000 0.476 199 S N -1.778 113.990 115.700 0.115 0.000 2.788 199 S HA 0.580 5.069 4.470 0.031 0.000 0.291 199 S C 1.159 175.855 174.600 0.160 0.000 1.061 199 S CA -0.219 58.056 58.200 0.124 0.000 0.923 199 S CB 0.166 63.470 63.200 0.173 0.000 1.339 199 S HN 0.316 nan 8.310 nan 0.000 0.591 200 Y N 0.865 121.257 120.300 0.154 0.000 1.967 200 Y HA -0.259 4.310 4.550 0.031 0.000 0.255 200 Y C 2.550 178.525 175.900 0.125 0.000 1.197 200 Y CA 2.483 60.664 58.100 0.135 0.000 1.088 200 Y CB -1.316 37.251 38.460 0.179 0.000 0.917 200 Y HN 0.308 nan 8.280 nan 0.000 0.497 201 V N -0.460 119.653 119.914 0.332 0.000 2.295 201 V HA -0.337 3.802 4.120 0.031 0.000 0.246 201 V C 2.471 178.644 176.094 0.132 0.000 1.049 201 V CA 1.711 64.142 62.300 0.219 0.000 1.024 201 V CB -1.571 30.355 31.823 0.173 0.000 0.648 201 V HN 0.532 nan 8.190 nan 0.000 0.447 202 A N 0.086 122.968 122.820 0.102 0.000 1.865 202 A HA -0.177 4.162 4.320 0.031 0.000 0.217 202 A C 2.222 179.817 177.584 0.019 0.000 1.191 202 A CA 2.072 54.131 52.037 0.036 0.000 0.623 202 A CB -0.592 18.436 19.000 0.045 0.000 0.826 202 A HN 0.508 nan 8.150 nan 0.000 0.444 203 L N -0.937 120.330 121.223 0.073 0.000 2.072 203 L HA -0.166 4.193 4.340 0.031 0.000 0.205 203 L C 2.618 179.525 176.870 0.062 0.000 1.079 203 L CA 1.537 56.422 54.840 0.075 0.000 0.752 203 L CB -0.717 41.402 42.059 0.101 0.000 0.906 203 L HN 0.456 nan 8.230 nan 0.000 0.436 204 E N -0.280 119.990 120.200 0.116 0.000 2.031 204 E HA -0.222 4.146 4.350 0.031 0.000 0.193 204 E C 2.355 178.969 176.600 0.023 0.000 0.994 204 E CA 1.711 58.209 56.400 0.163 0.000 0.800 204 E CB -0.275 29.598 29.700 0.288 0.000 0.752 204 E HN 0.517 nan 8.360 nan 0.000 0.447 205 C N 0.919 120.146 119.300 -0.120 0.000 2.413 205 C HA -0.127 4.352 4.460 0.031 0.000 0.276 205 C C 2.971 177.467 174.990 -0.824 0.000 1.236 205 C CA 0.870 59.430 59.018 -0.763 0.000 1.735 205 C CB -1.066 26.467 27.740 -0.346 0.000 2.031 205 C HN 0.531 nan 8.230 nan 0.000 0.474 206 A N 0.832 123.433 122.820 -0.365 0.000 1.933 206 A HA 0.051 4.389 4.320 0.031 0.000 0.218 206 A C 2.369 179.833 177.584 -0.201 0.000 1.175 206 A CA 2.162 54.039 52.037 -0.267 0.000 0.628 206 A CB -1.267 17.620 19.000 -0.189 0.000 0.814 206 A HN 0.564 nan 8.150 nan 0.000 0.444 207 G N 0.202 108.932 108.800 -0.116 0.000 2.480 207 G HA2 -0.239 3.740 3.960 0.031 0.000 0.216 207 G HA3 -0.239 3.740 3.960 0.031 0.000 0.216 207 G C 1.410 176.366 174.900 0.094 0.000 1.200 207 G CA 1.421 46.546 45.100 0.041 0.000 0.782 207 G HN 0.827 nan 8.290 nan 0.000 0.554 208 F N 0.733 120.773 119.950 0.151 0.000 2.234 208 F HA 0.207 4.751 4.527 0.029 0.000 0.299 208 F C 2.231 178.110 175.800 0.131 0.000 1.087 208 F CA 0.501 58.595 58.000 0.157 0.000 1.340 208 F CB -0.675 38.435 39.000 0.182 0.000 1.031 208 F HN 0.066 nan 8.300 nan 0.000 0.500 209 L N 0.900 122.054 121.223 -0.116 0.000 2.017 209 L HA -0.163 4.196 4.340 0.031 0.000 0.208 209 L C 2.993 179.904 176.870 0.068 0.000 1.073 209 L CA 1.341 56.207 54.840 0.043 0.000 0.745 209 L CB -1.158 40.828 42.059 -0.122 0.000 0.894 209 L HN 0.365 nan 8.230 nan 0.000 0.432 210 A N 0.179 123.009 122.820 0.017 0.000 1.933 210 A HA -0.116 4.222 4.320 0.031 0.000 0.218 210 A C 2.348 179.980 177.584 0.079 0.000 1.175 210 A CA 1.615 53.675 52.037 0.038 0.000 0.628 210 A CB -1.150 17.864 19.000 0.024 0.000 0.814 210 A HN 0.459 nan 8.150 nan 0.000 0.444 211 G N 0.430 109.299 108.800 0.115 0.000 2.471 211 G HA2 -0.033 3.946 3.960 0.031 0.000 0.219 211 G HA3 -0.033 3.946 3.960 0.031 0.000 0.219 211 G C 1.221 176.161 174.900 0.066 0.000 1.125 211 G CA 1.028 46.195 45.100 0.112 0.000 0.775 211 G HN 0.841 nan 8.290 nan 0.000 0.548 212 I N -3.394 117.217 120.570 0.069 0.000 3.891 212 I HA 0.540 4.729 4.170 0.031 0.000 0.331 212 I C 1.279 177.450 176.117 0.091 0.000 1.406 212 I CA 0.220 61.508 61.300 -0.020 0.000 1.139 212 I CB 0.174 38.086 38.000 -0.147 0.000 1.056 212 I HN 0.118 nan 8.210 nan 0.000 0.399 213 G N 1.601 110.455 108.800 0.089 0.000 2.179 213 G HA2 -0.175 3.804 3.960 0.031 0.000 0.220 213 G HA3 -0.175 3.804 3.960 0.031 0.000 0.220 213 G C -0.064 174.879 174.900 0.071 0.000 0.990 213 G CA -0.224 44.928 45.100 0.087 0.000 0.646 213 G HN 0.339 nan 8.290 nan 0.000 0.517 214 L N 0.894 122.157 121.223 0.067 0.000 2.399 214 L HA 0.520 4.879 4.340 0.031 0.000 0.265 214 L C 0.352 177.227 176.870 0.008 0.000 1.089 214 L CA -0.964 53.895 54.840 0.032 0.000 0.802 214 L CB 0.812 42.881 42.059 0.016 0.000 1.180 214 L HN 0.058 nan 8.230 nan 0.000 0.454 215 D N 1.789 122.188 120.400 -0.003 0.000 2.338 215 D HA 0.244 4.903 4.640 0.031 0.000 0.255 215 D C -1.042 175.254 176.300 -0.007 0.000 1.237 215 D CA 0.068 54.063 54.000 -0.008 0.000 0.883 215 D CB 0.863 41.655 40.800 -0.014 0.000 1.087 215 D HN 0.089 nan 8.370 nan 0.000 0.485 216 V N 3.435 123.330 119.914 -0.031 0.000 2.656 216 V HA 0.488 4.627 4.120 0.031 0.000 0.307 216 V C 0.267 176.297 176.094 -0.106 0.000 1.051 216 V CA -0.682 61.577 62.300 -0.069 0.000 0.893 216 V CB 2.313 34.071 31.823 -0.108 0.000 0.999 216 V HN 0.516 nan 8.190 nan 0.000 0.426 217 T N 3.144 117.624 114.554 -0.124 0.000 2.886 217 T HA 0.632 5.001 4.350 0.031 0.000 0.292 217 T C -0.853 173.681 174.700 -0.276 0.000 1.012 217 T CA -0.456 61.540 62.100 -0.173 0.000 0.982 217 T CB 1.953 70.821 68.868 -0.000 0.000 1.018 217 T HN 0.356 nan 8.240 nan 0.000 0.451 218 V N 3.800 123.473 119.914 -0.402 0.000 2.448 218 V HA 0.487 4.625 4.120 0.031 0.000 0.295 218 V C -0.212 175.808 176.094 -0.124 0.000 1.025 218 V CA -0.792 61.317 62.300 -0.318 0.000 0.859 218 V CB 1.728 33.257 31.823 -0.490 0.000 0.988 218 V HN 0.878 nan 8.190 nan 0.000 0.431 219 M N 6.016 125.579 119.600 -0.062 0.000 2.063 219 M HA 0.518 5.016 4.480 0.031 0.000 0.348 219 M C -1.221 175.130 176.300 0.086 0.000 1.180 219 M CA -0.369 54.943 55.300 0.021 0.000 1.059 219 M CB 1.057 33.646 32.600 -0.017 0.000 1.544 219 M HN 0.475 nan 8.290 nan 0.000 0.447 220 V N 6.100 126.107 119.914 0.155 0.000 2.439 220 V HA 0.332 4.471 4.120 0.031 0.000 0.282 220 V C 0.885 177.055 176.094 0.127 0.000 1.039 220 V CA -0.472 61.916 62.300 0.147 0.000 0.913 220 V CB 1.394 33.322 31.823 0.174 0.000 0.983 220 V HN 0.966 nan 8.190 nan 0.000 0.460 221 R N 2.669 123.225 120.500 0.094 0.000 2.051 221 R HA -0.047 4.311 4.340 0.031 0.000 0.225 221 R C 1.909 178.241 176.300 0.053 0.000 1.155 221 R CA 1.810 57.955 56.100 0.074 0.000 0.945 221 R CB 0.034 30.368 30.300 0.057 0.000 0.840 221 R HN 0.898 nan 8.270 nan 0.000 0.432 222 S N 0.066 115.794 115.700 0.046 0.000 3.128 222 S HA 0.247 4.736 4.470 0.031 0.000 0.171 222 S C 0.997 175.615 174.600 0.030 0.000 0.707 222 S CA -0.237 57.981 58.200 0.030 0.000 0.851 222 S CB -0.488 62.725 63.200 0.022 0.000 0.872 222 S HN 0.378 nan 8.310 nan 0.000 0.724 223 I N -0.255 120.332 120.570 0.028 0.000 3.100 223 I HA 0.596 4.785 4.170 0.031 0.000 0.312 223 I C -0.905 175.231 176.117 0.031 0.000 1.063 223 I CA -1.486 59.824 61.300 0.018 0.000 1.031 223 I CB 1.131 39.137 38.000 0.010 0.000 1.243 223 I HN 0.349 nan 8.210 nan 0.000 0.483 224 L N 2.552 123.782 121.223 0.012 0.000 2.375 224 L HA 0.346 4.705 4.340 0.031 0.000 0.271 224 L C 0.065 176.963 176.870 0.046 0.000 1.107 224 L CA -0.960 53.894 54.840 0.024 0.000 0.806 224 L CB 1.061 43.106 42.059 -0.022 0.000 1.146 224 L HN 0.663 nan 8.230 nan 0.000 0.447 225 L N 1.742 123.009 121.223 0.072 0.000 3.879 225 L HA -0.237 4.122 4.340 0.031 0.000 0.481 225 L C 0.844 177.850 176.870 0.227 0.000 1.232 225 L CA 0.272 55.210 54.840 0.163 0.000 0.736 225 L CB -1.346 40.751 42.059 0.064 0.000 1.511 225 L HN 0.703 nan 8.230 nan 0.000 0.830 226 R N 1.094 121.677 120.500 0.138 0.000 2.538 226 R HA 0.267 4.626 4.340 0.031 0.000 0.282 226 R C 1.424 177.760 176.300 0.058 0.000 1.009 226 R CA 1.246 57.398 56.100 0.087 0.000 1.063 226 R CB 0.358 30.694 30.300 0.060 0.000 0.945 226 R HN 0.544 nan 8.270 nan 0.000 0.414 227 G N 3.321 112.130 108.800 0.016 0.000 2.313 227 G HA2 -0.268 3.711 3.960 0.031 0.000 0.215 227 G HA3 -0.268 3.711 3.960 0.031 0.000 0.215 227 G C -0.135 174.681 174.900 -0.139 0.000 1.023 227 G CA -0.127 44.914 45.100 -0.098 0.000 0.626 227 G HN 0.506 nan 8.290 nan 0.000 0.503 228 F N 2.033 122.009 119.950 0.043 0.000 2.368 228 F HA 0.503 5.048 4.527 0.031 0.000 0.315 228 F C 0.906 176.750 175.800 0.073 0.000 1.145 228 F CA -0.371 57.688 58.000 0.098 0.000 1.095 228 F CB 0.494 39.569 39.000 0.124 0.000 1.286 228 F HN 0.016 nan 8.300 nan 0.000 0.530 229 D N 1.527 122.128 120.400 0.336 0.000 2.520 229 D HA -0.091 4.568 4.640 0.031 0.000 0.243 229 D C 0.619 176.948 176.300 0.048 0.000 1.160 229 D CA 0.121 54.203 54.000 0.136 0.000 0.877 229 D CB 0.962 41.820 40.800 0.095 0.000 1.150 229 D HN 0.445 nan 8.370 nan 0.000 0.494 230 Q N 2.959 122.762 119.800 0.005 0.000 2.230 230 Q HA -0.112 4.246 4.340 0.031 0.000 0.202 230 Q C 1.236 177.185 176.000 -0.086 0.000 0.963 230 Q CA 0.735 56.518 55.803 -0.033 0.000 0.866 230 Q CB -0.075 28.648 28.738 -0.024 0.000 0.931 230 Q HN 0.653 nan 8.270 nan 0.000 0.452 231 D N 0.254 120.596 120.400 -0.096 0.000 2.078 231 D HA -0.153 4.505 4.640 0.031 0.000 0.193 231 D C 1.732 177.917 176.300 -0.193 0.000 0.990 231 D CA 1.246 55.164 54.000 -0.136 0.000 0.827 231 D CB 0.139 40.867 40.800 -0.119 0.000 0.975 231 D HN -0.006 nan 8.370 nan 0.000 0.451 232 M N 0.662 120.142 119.600 -0.199 0.000 2.108 232 M HA -0.073 4.426 4.480 0.031 0.000 0.261 232 M C 2.444 178.502 176.300 -0.402 0.000 1.066 232 M CA 1.516 56.612 55.300 -0.340 0.000 1.107 232 M CB -1.601 30.681 32.600 -0.530 0.000 1.356 232 M HN 0.185 nan 8.290 nan 0.000 0.406 233 A N 0.485 123.124 122.820 -0.302 0.000 1.933 233 A HA -0.187 4.151 4.320 0.031 0.000 0.218 233 A C 2.154 179.628 177.584 -0.183 0.000 1.175 233 A CA 1.928 53.824 52.037 -0.236 0.000 0.628 233 A CB -1.055 17.875 19.000 -0.117 0.000 0.814 233 A HN 0.652 nan 8.150 nan 0.000 0.444 234 N N -0.250 118.353 118.700 -0.163 0.000 2.188 234 N HA -0.161 4.597 4.740 0.031 0.000 0.184 234 N C 1.639 177.060 175.510 -0.148 0.000 1.018 234 N CA 1.516 54.476 53.050 -0.149 0.000 0.858 234 N CB -0.132 38.278 38.487 -0.129 0.000 0.989 234 N HN 0.516 nan 8.380 nan 0.000 0.426 235 K N 0.396 120.697 120.400 -0.166 0.000 2.148 235 K HA 0.023 4.361 4.320 0.031 0.000 0.204 235 K C 2.125 178.684 176.600 -0.070 0.000 1.050 235 K CA 0.724 56.937 56.287 -0.123 0.000 0.942 235 K CB 0.062 32.459 32.500 -0.172 0.000 0.724 235 K HN 0.216 nan 8.250 nan 0.000 0.446 236 I N 0.524 121.021 120.570 -0.122 0.000 2.226 236 I HA -0.212 3.976 4.170 0.031 0.000 0.245 236 I C 2.445 178.566 176.117 0.007 0.000 1.100 236 I CA 1.353 62.620 61.300 -0.056 0.000 1.374 236 I CB -0.647 37.282 38.000 -0.118 0.000 1.057 236 I HN 0.285 nan 8.210 nan 0.000 0.413 237 G N 0.482 109.233 108.800 -0.082 0.000 2.459 237 G HA2 -0.251 3.728 3.960 0.031 0.000 0.217 237 G HA3 -0.251 3.728 3.960 0.031 0.000 0.217 237 G C 1.518 176.342 174.900 -0.127 0.000 1.183 237 G CA 0.740 45.735 45.100 -0.176 0.000 0.776 237 G HN 0.404 nan 8.290 nan 0.000 0.552 238 E N -0.646 119.505 120.200 -0.082 0.000 2.110 238 E HA -0.165 4.203 4.350 0.031 0.000 0.193 238 E C 2.211 178.851 176.600 0.067 0.000 0.988 238 E CA 0.801 57.184 56.400 -0.029 0.000 0.804 238 E CB -0.256 29.427 29.700 -0.029 0.000 0.745 238 E HN 0.550 nan 8.360 nan 0.000 0.458 239 H N 0.396 119.495 119.070 0.050 0.000 2.387 239 H HA -0.069 4.506 4.556 0.031 0.000 0.299 239 H C 2.004 177.449 175.328 0.194 0.000 1.090 239 H CA 1.396 57.514 56.048 0.116 0.000 1.332 239 H CB 0.074 29.849 29.762 0.020 0.000 1.386 239 H HN 0.173 nan 8.280 nan 0.000 0.516 240 M N 0.369 120.096 119.600 0.210 0.000 2.132 240 M HA -0.126 4.372 4.480 0.031 0.000 0.263 240 M C 2.344 178.802 176.300 0.263 0.000 1.065 240 M CA 1.481 56.936 55.300 0.259 0.000 1.122 240 M CB -0.047 32.787 32.600 0.391 0.000 1.365 240 M HN 0.288 nan 8.290 nan 0.000 0.411 241 E N 0.225 120.590 120.200 0.276 0.000 2.023 241 E HA -0.226 4.142 4.350 0.031 0.000 0.196 241 E C 1.914 178.569 176.600 0.091 0.000 1.003 241 E CA 1.380 57.917 56.400 0.228 0.000 0.809 241 E CB -0.237 29.533 29.700 0.118 0.000 0.755 241 E HN 0.540 nan 8.360 nan 0.000 0.449 242 E N 0.011 120.231 120.200 0.034 0.000 2.171 242 E HA -0.191 4.177 4.350 0.031 0.000 0.197 242 E C 1.085 177.550 176.600 -0.225 0.000 0.997 242 E CA 1.041 57.386 56.400 -0.091 0.000 0.810 242 E CB -0.145 29.487 29.700 -0.114 0.000 0.738 242 E HN 0.379 nan 8.360 nan 0.000 0.467 243 H N -1.610 117.365 119.070 -0.159 0.000 2.568 243 H HA 0.232 4.807 4.556 0.031 0.000 0.302 243 H C 0.897 176.199 175.328 -0.043 0.000 1.065 243 H CA 0.468 56.438 56.048 -0.130 0.000 1.140 243 H CB 0.741 30.372 29.762 -0.219 0.000 1.474 243 H HN 0.309 nan 8.280 nan 0.000 0.545 244 G N 0.099 108.922 108.800 0.037 0.000 2.659 244 G HA2 -0.255 3.723 3.960 0.031 0.000 0.202 244 G HA3 -0.255 3.723 3.960 0.031 0.000 0.202 244 G C 0.025 174.936 174.900 0.018 0.000 1.186 244 G CA -0.362 44.754 45.100 0.027 0.000 0.783 244 G HN 0.152 nan 8.290 nan 0.000 0.521 245 I N 3.267 123.849 120.570 0.021 0.000 2.741 245 I HA 0.248 4.437 4.170 0.031 0.000 0.288 245 I C 0.834 176.894 176.117 -0.096 0.000 1.192 245 I CA 0.682 61.931 61.300 -0.086 0.000 1.426 245 I CB 0.645 38.547 38.000 -0.163 0.000 1.367 245 I HN 0.207 nan 8.210 nan 0.000 0.563 246 K N 6.135 126.441 120.400 -0.157 0.000 2.144 246 K HA 0.594 4.933 4.320 0.031 0.000 0.270 246 K C -0.896 175.553 176.600 -0.252 0.000 1.005 246 K CA -0.295 55.948 56.287 -0.072 0.000 0.932 246 K CB 0.921 33.401 32.500 -0.033 0.000 1.021 246 K HN 0.254 nan 8.250 nan 0.000 0.462 247 F N 1.450 121.404 119.950 0.006 0.000 2.561 247 F HA 0.523 5.070 4.527 0.032 0.000 0.321 247 F C -0.122 175.682 175.800 0.007 0.000 1.065 247 F CA -0.955 57.049 58.000 0.008 0.000 0.934 247 F CB 1.357 40.365 39.000 0.013 0.000 1.215 247 F HN 0.183 nan 8.300 nan 0.000 0.471 248 I N 2.443 123.125 120.570 0.187 0.000 2.447 248 I HA 0.397 4.586 4.170 0.031 0.000 0.287 248 I C -0.817 175.421 176.117 0.202 0.000 1.023 248 I CA -0.491 60.874 61.300 0.108 0.000 1.083 248 I CB 1.529 39.517 38.000 -0.020 0.000 1.245 248 I HN 0.491 nan 8.210 nan 0.000 0.434 249 R N 5.335 125.975 120.500 0.234 0.000 2.407 249 R HA 0.517 4.875 4.340 0.031 0.000 0.303 249 R C -0.515 175.959 176.300 0.291 0.000 0.981 249 R CA -0.725 55.510 56.100 0.225 0.000 0.905 249 R CB 1.134 31.516 30.300 0.137 0.000 1.099 249 R HN 0.521 nan 8.270 nan 0.000 0.459 250 Q N 0.687 120.594 119.800 0.178 0.000 2.463 250 Q HA -0.221 4.138 4.340 0.031 0.000 0.299 250 Q C -1.429 174.566 176.000 -0.007 0.000 1.353 250 Q CA 0.750 56.591 55.803 0.064 0.000 0.828 250 Q CB -1.143 27.582 28.738 -0.022 0.000 1.157 250 Q HN 0.412 nan 8.270 nan 0.000 0.436 251 F N -1.368 118.601 119.950 0.033 0.000 2.613 251 F HA 0.718 5.264 4.527 0.031 0.000 0.310 251 F C -0.154 175.661 175.800 0.025 0.000 1.085 251 F CA -0.950 57.067 58.000 0.029 0.000 0.945 251 F CB 1.926 40.945 39.000 0.032 0.000 1.298 251 F HN -0.176 nan 8.300 nan 0.000 0.455 252 V N 3.765 123.828 119.914 0.248 0.000 2.686 252 V HA 0.471 4.609 4.120 0.031 0.000 0.306 252 V C -2.325 173.855 176.094 0.144 0.000 1.065 252 V CA -1.965 60.423 62.300 0.147 0.000 0.894 252 V CB 2.618 34.493 31.823 0.086 0.000 1.004 252 V HN 0.459 nan 8.190 nan 0.000 0.424 253 P HA 0.249 nan 4.420 nan 0.000 0.271 253 P C 0.411 177.761 177.300 0.083 0.000 1.216 253 P CA 0.176 63.327 63.100 0.084 0.000 0.776 253 P CB 1.011 32.741 31.700 0.050 0.000 0.881 254 I N -0.739 119.882 120.570 0.085 0.000 4.288 254 I HA 0.430 4.619 4.170 0.031 0.000 0.331 254 I C 0.386 176.548 176.117 0.076 0.000 1.322 254 I CA -0.018 61.328 61.300 0.077 0.000 1.149 254 I CB 0.364 38.408 38.000 0.073 0.000 1.112 254 I HN 0.196 nan 8.210 nan 0.000 0.403 255 K N 1.344 121.793 120.400 0.081 0.000 2.583 255 K HA 0.580 4.918 4.320 0.031 0.000 0.260 255 K C -2.039 174.619 176.600 0.098 0.000 0.931 255 K CA -0.523 55.817 56.287 0.089 0.000 0.849 255 K CB 3.022 35.567 32.500 0.076 0.000 1.347 255 K HN -0.055 nan 8.250 nan 0.000 0.425 256 V N 3.116 123.112 119.914 0.137 0.000 2.531 256 V HA 0.484 4.622 4.120 0.031 0.000 0.301 256 V C -0.972 175.215 176.094 0.155 0.000 1.034 256 V CA -0.685 61.704 62.300 0.148 0.000 0.865 256 V CB 1.733 33.690 31.823 0.224 0.000 0.995 256 V HN 0.810 nan 8.190 nan 0.000 0.424 257 E N 2.638 122.826 120.200 -0.020 0.000 2.317 257 E HA 0.418 4.786 4.350 0.031 0.000 0.270 257 E C -1.093 175.239 176.600 -0.447 0.000 0.885 257 E CA -0.820 55.464 56.400 -0.192 0.000 0.760 257 E CB 2.813 32.467 29.700 -0.077 0.000 1.227 257 E HN 0.684 nan 8.360 nan 0.000 0.434 258 Q N 3.276 122.617 119.800 -0.765 0.000 2.361 258 Q HA 0.188 4.546 4.340 0.031 0.000 0.250 258 Q C 0.180 176.014 176.000 -0.277 0.000 1.023 258 Q CA -0.038 55.396 55.803 -0.615 0.000 0.915 258 Q CB 0.420 28.694 28.738 -0.773 0.000 1.238 258 Q HN 0.717 nan 8.270 nan 0.000 0.451 259 I N 2.841 123.298 120.570 -0.188 0.000 2.614 259 I HA -0.077 4.111 4.170 0.031 0.000 0.258 259 I C 0.566 176.624 176.117 -0.098 0.000 1.189 259 I CA 0.982 62.212 61.300 -0.117 0.000 1.462 259 I CB 0.188 38.133 38.000 -0.092 0.000 1.092 259 I HN 0.713 nan 8.210 nan 0.000 0.442 260 E N -0.140 119.995 120.200 -0.109 0.000 2.584 260 E HA 0.433 4.802 4.350 0.031 0.000 0.295 260 E C -1.471 175.083 176.600 -0.076 0.000 1.109 260 E CA -0.518 55.835 56.400 -0.079 0.000 0.900 260 E CB 0.819 30.479 29.700 -0.067 0.000 1.195 260 E HN 0.019 nan 8.360 nan 0.000 0.433 261 A N 2.007 124.797 122.820 -0.050 0.000 2.287 261 A HA 0.958 5.297 4.320 0.031 0.000 0.273 261 A C 0.518 178.065 177.584 -0.061 0.000 1.091 261 A CA 0.537 52.553 52.037 -0.035 0.000 0.817 261 A CB 1.006 20.007 19.000 0.001 0.000 1.069 261 A HN 0.992 nan 8.150 nan 0.000 0.492 262 G N -1.314 107.433 108.800 -0.088 0.000 2.317 262 G HA2 0.504 4.483 3.960 0.031 0.000 0.293 262 G HA3 0.504 4.483 3.960 0.031 0.000 0.293 262 G C -0.573 174.165 174.900 -0.270 0.000 1.287 262 G CA 0.232 45.251 45.100 -0.135 0.000 0.850 262 G HN 1.590 nan 8.290 nan 0.000 0.515 263 T N 0.014 114.372 114.554 -0.326 0.000 3.401 263 T HA 0.680 5.049 4.350 0.031 0.000 0.341 263 T C -2.283 172.058 174.700 -0.598 0.000 1.674 263 T CA -1.071 60.634 62.100 -0.658 0.000 1.600 263 T CB 1.331 70.059 68.868 -0.234 0.000 0.974 263 T HN 0.547 nan 8.240 nan 0.000 0.672 264 P HA 0.583 nan 4.420 nan 0.000 0.280 264 P C 0.521 177.641 177.300 -0.299 0.000 1.272 264 P CA -0.242 62.490 63.100 -0.614 0.000 0.819 264 P CB 1.411 32.892 31.700 -0.365 0.000 1.122 265 G N 0.607 109.280 108.800 -0.211 0.000 2.773 265 G HA2 0.458 4.437 3.960 0.031 0.000 0.186 265 G HA3 0.458 4.437 3.960 0.031 0.000 0.186 265 G C -0.484 174.355 174.900 -0.100 0.000 1.411 265 G CA -0.731 44.292 45.100 -0.129 0.000 1.054 265 G HN 0.454 nan 8.290 nan 0.000 0.579 266 R N -0.950 119.499 120.500 -0.086 0.000 2.686 266 R HA 0.608 4.967 4.340 0.031 0.000 0.286 266 R C -1.241 175.013 176.300 -0.078 0.000 0.969 266 R CA -0.544 55.511 56.100 -0.075 0.000 0.898 266 R CB 2.071 32.323 30.300 -0.080 0.000 1.183 266 R HN 0.270 nan 8.270 nan 0.000 0.456 267 L N 1.502 122.699 121.223 -0.043 0.000 2.371 267 L HA 0.604 4.963 4.340 0.031 0.000 0.262 267 L C -0.345 176.521 176.870 -0.006 0.000 1.006 267 L CA -0.988 53.823 54.840 -0.049 0.000 0.818 267 L CB 2.514 44.577 42.059 0.006 0.000 1.354 267 L HN 0.426 nan 8.230 nan 0.000 0.415 268 R N 1.523 122.006 120.500 -0.027 0.000 2.393 268 R HA 0.695 5.054 4.340 0.031 0.000 0.315 268 R C -1.773 174.558 176.300 0.052 0.000 0.952 268 R CA -0.454 55.653 56.100 0.011 0.000 0.842 268 R CB 1.728 32.014 30.300 -0.024 0.000 1.163 268 R HN 0.438 nan 8.270 nan 0.000 0.450 269 V N 4.974 124.953 119.914 0.109 0.000 2.483 269 V HA 0.414 4.553 4.120 0.031 0.000 0.295 269 V C -0.405 175.735 176.094 0.076 0.000 1.035 269 V CA -0.755 61.601 62.300 0.094 0.000 0.896 269 V CB 1.888 33.761 31.823 0.083 0.000 0.986 269 V HN 0.518 nan 8.190 nan 0.000 0.447 270 V N 3.980 123.934 119.914 0.067 0.000 2.409 270 V HA 0.843 4.981 4.120 0.031 0.000 0.291 270 V C 0.214 176.360 176.094 0.085 0.000 1.020 270 V CA -0.262 62.078 62.300 0.067 0.000 0.848 270 V CB 1.516 33.376 31.823 0.062 0.000 0.990 270 V HN 1.041 nan 8.190 nan 0.000 0.430 271 A N 4.586 127.470 122.820 0.107 0.000 2.384 271 A HA 0.915 5.254 4.320 0.031 0.000 0.312 271 A C -0.830 176.947 177.584 0.322 0.000 1.113 271 A CA -0.679 51.473 52.037 0.191 0.000 0.779 271 A CB 2.027 21.128 19.000 0.168 0.000 1.307 271 A HN 0.753 nan 8.150 nan 0.000 0.436 272 Q N 0.607 120.606 119.800 0.332 0.000 2.394 272 Q HA 0.586 4.944 4.340 0.031 0.000 0.273 272 Q C -0.853 175.088 176.000 -0.098 0.000 1.089 272 Q CA -0.558 55.365 55.803 0.201 0.000 0.812 272 Q CB 1.864 30.651 28.738 0.081 0.000 1.353 272 Q HN 0.731 nan 8.270 nan 0.000 0.438 273 S N 0.963 116.362 115.700 -0.501 0.000 2.573 273 S HA 0.014 4.503 4.470 0.031 0.000 0.277 273 S C 0.904 175.289 174.600 -0.357 0.000 1.346 273 S CA 0.355 58.063 58.200 -0.819 0.000 1.034 273 S CB 0.842 63.664 63.200 -0.630 0.000 0.879 273 S HN 0.792 nan 8.310 nan 0.000 0.528 274 T N -1.452 112.925 114.554 -0.295 0.000 3.129 274 T HA 0.048 4.417 4.350 0.031 0.000 0.251 274 T C 0.563 175.194 174.700 -0.115 0.000 1.117 274 T CA 0.474 62.490 62.100 -0.140 0.000 1.034 274 T CB -0.502 68.316 68.868 -0.084 0.000 0.968 274 T HN 0.729 nan 8.240 nan 0.000 0.526 275 N N -0.060 118.552 118.700 -0.147 0.000 2.142 275 N HA 0.236 4.994 4.740 0.031 0.000 0.233 275 N C -0.177 175.275 175.510 -0.096 0.000 1.335 275 N CA -0.280 52.711 53.050 -0.098 0.000 0.837 275 N CB 0.828 39.267 38.487 -0.080 0.000 1.238 275 N HN 0.306 nan 8.380 nan 0.000 0.501 276 S N -0.637 114.987 115.700 -0.126 0.000 2.705 276 S HA 0.387 4.876 4.470 0.031 0.000 0.280 276 S C -0.689 173.861 174.600 -0.082 0.000 1.174 276 S CA -0.599 57.544 58.200 -0.093 0.000 0.823 276 S CB 1.516 64.656 63.200 -0.100 0.000 1.162 276 S HN 0.141 nan 8.310 nan 0.000 0.487 277 E N 0.274 120.448 120.200 -0.043 0.000 2.498 277 E HA 0.177 4.546 4.350 0.031 0.000 0.203 277 E C 0.200 176.802 176.600 0.004 0.000 1.013 277 E CA -0.234 56.154 56.400 -0.020 0.000 0.927 277 E CB 0.022 29.719 29.700 -0.006 0.000 1.012 277 E HN 0.709 nan 8.360 nan 0.000 0.482 278 E N 0.427 120.629 120.200 0.003 0.000 2.418 278 E HA 0.136 4.505 4.350 0.031 0.000 0.261 278 E C -0.365 176.318 176.600 0.138 0.000 1.070 278 E CA 0.113 56.555 56.400 0.069 0.000 0.931 278 E CB 0.948 30.707 29.700 0.098 0.000 0.954 278 E HN 0.104 nan 8.360 nan 0.000 0.439 279 I N 2.205 122.880 120.570 0.175 0.000 2.730 279 I HA 0.431 4.620 4.170 0.031 0.000 0.298 279 I C -0.351 175.879 176.117 0.189 0.000 1.089 279 I CA -1.038 60.389 61.300 0.210 0.000 1.041 279 I CB 1.776 39.848 38.000 0.119 0.000 1.235 279 I HN 0.674 nan 8.210 nan 0.000 0.423 280 I N 2.082 122.747 120.570 0.159 0.000 3.239 280 I HA 0.786 4.975 4.170 0.031 0.000 0.314 280 I C -1.370 174.747 176.117 0.001 0.000 1.126 280 I CA -0.486 60.823 61.300 0.015 0.000 0.973 280 I CB 2.397 40.291 38.000 -0.176 0.000 1.252 280 I HN 0.671 nan 8.210 nan 0.000 0.463 281 E N 1.195 121.383 120.200 -0.020 0.000 2.372 281 E HA 0.770 5.139 4.350 0.031 0.000 0.279 281 E C -1.377 175.221 176.600 -0.003 0.000 0.946 281 E CA -1.132 55.271 56.400 0.004 0.000 0.769 281 E CB 2.165 31.872 29.700 0.011 0.000 1.230 281 E HN 1.051 nan 8.360 nan 0.000 0.442 282 G N 0.704 109.532 108.800 0.047 0.000 2.695 282 G HA2 0.462 4.441 3.960 0.031 0.000 0.290 282 G HA3 0.462 4.441 3.960 0.031 0.000 0.290 282 G C -1.680 173.188 174.900 -0.054 0.000 1.410 282 G CA -0.787 44.309 45.100 -0.008 0.000 0.844 282 G HN 0.592 nan 8.290 nan 0.000 0.478 283 E N -0.341 119.655 120.200 -0.339 0.000 2.176 283 E HA 0.638 5.006 4.350 0.031 0.000 0.267 283 E C -1.582 174.648 176.600 -0.617 0.000 0.893 283 E CA -0.654 55.570 56.400 -0.294 0.000 0.761 283 E CB 1.228 30.800 29.700 -0.214 0.000 1.133 283 E HN 0.420 nan 8.360 nan 0.000 0.409 284 Y N 2.080 122.344 120.300 -0.060 0.000 2.581 284 Y HA 0.287 4.855 4.550 0.030 0.000 0.345 284 Y C 0.677 176.539 175.900 -0.063 0.000 1.036 284 Y CA -0.878 57.186 58.100 -0.061 0.000 1.042 284 Y CB 1.830 40.257 38.460 -0.055 0.000 1.289 284 Y HN 0.550 nan 8.280 nan 0.000 0.471 285 N N -0.570 118.174 118.700 0.073 0.000 2.290 285 N HA 0.034 4.793 4.740 0.031 0.000 0.179 285 N C -0.464 175.063 175.510 0.029 0.000 1.016 285 N CA 0.990 54.042 53.050 0.004 0.000 0.871 285 N CB 0.337 38.803 38.487 -0.036 0.000 0.987 285 N HN 0.486 nan 8.380 nan 0.000 0.431 286 T N 0.211 114.802 114.554 0.062 0.000 2.900 286 T HA 0.479 4.848 4.350 0.031 0.000 0.295 286 T C -1.059 173.651 174.700 0.018 0.000 1.044 286 T CA -0.561 61.568 62.100 0.049 0.000 0.995 286 T CB 2.944 71.825 68.868 0.022 0.000 1.072 286 T HN -0.348 nan 8.240 nan 0.000 0.473 287 V N 3.343 123.260 119.914 0.006 0.000 2.357 287 V HA 0.436 4.575 4.120 0.031 0.000 0.281 287 V C -0.259 175.807 176.094 -0.047 0.000 1.015 287 V CA -0.721 61.542 62.300 -0.063 0.000 0.827 287 V CB 1.345 33.149 31.823 -0.032 0.000 1.018 287 V HN 0.894 nan 8.190 nan 0.000 0.432 288 M N 5.877 125.424 119.600 -0.087 0.000 2.188 288 M HA 0.578 5.077 4.480 0.031 0.000 0.357 288 M C -1.312 174.931 176.300 -0.094 0.000 1.204 288 M CA -0.336 54.915 55.300 -0.082 0.000 1.095 288 M CB 0.971 33.512 32.600 -0.099 0.000 1.604 288 M HN 0.507 nan 8.290 nan 0.000 0.464 289 L N 5.123 126.283 121.223 -0.106 0.000 2.282 289 L HA 0.666 5.024 4.340 0.031 0.000 0.288 289 L C -0.231 176.573 176.870 -0.110 0.000 1.033 289 L CA -0.679 54.088 54.840 -0.122 0.000 0.807 289 L CB 1.479 43.420 42.059 -0.197 0.000 1.209 289 L HN 0.878 nan 8.230 nan 0.000 0.423 290 A N 5.215 127.997 122.820 -0.062 0.000 3.216 290 A HA 0.476 4.814 4.320 0.031 0.000 0.321 290 A C 0.264 177.854 177.584 0.011 0.000 1.042 290 A CA -0.374 51.652 52.037 -0.019 0.000 0.838 290 A CB -0.075 18.928 19.000 0.005 0.000 1.136 290 A HN 0.815 nan 8.150 nan 0.000 0.483 291 I N -1.923 118.646 120.570 -0.002 0.000 3.856 291 I HA 0.638 4.826 4.170 0.031 0.000 0.330 291 I C 0.505 176.649 176.117 0.046 0.000 1.546 291 I CA -0.012 61.303 61.300 0.026 0.000 1.132 291 I CB 0.222 38.230 38.000 0.014 0.000 1.157 291 I HN 0.616 nan 8.210 nan 0.000 0.440 292 G N 1.500 110.335 108.800 0.058 0.000 2.381 292 G HA2 0.105 4.084 3.960 0.031 0.000 0.672 292 G HA3 0.105 4.084 3.960 0.031 0.000 0.672 292 G C -1.301 173.642 174.900 0.071 0.000 1.324 292 G CA -1.163 43.983 45.100 0.077 0.000 0.975 292 G HN 0.333 nan 8.290 nan 0.000 0.593 293 R N -0.129 120.421 120.500 0.084 0.000 2.673 293 R HA 0.540 4.899 4.340 0.031 0.000 0.281 293 R C -1.668 174.685 176.300 0.089 0.000 0.991 293 R CA -1.023 55.131 56.100 0.089 0.000 0.896 293 R CB 2.160 32.516 30.300 0.093 0.000 1.201 293 R HN 0.470 nan 8.270 nan 0.000 0.457 294 D N 1.593 122.051 120.400 0.097 0.000 2.256 294 D HA 0.250 4.909 4.640 0.031 0.000 0.240 294 D C -0.221 176.132 176.300 0.089 0.000 1.062 294 D CA -0.271 53.784 54.000 0.091 0.000 0.832 294 D CB 1.891 42.750 40.800 0.098 0.000 1.135 294 D HN 0.603 nan 8.370 nan 0.000 0.484 295 A N 1.780 124.645 122.820 0.075 0.000 2.565 295 A HA 0.017 4.356 4.320 0.031 0.000 0.237 295 A C 0.479 178.110 177.584 0.078 0.000 1.053 295 A CA -0.018 52.061 52.037 0.071 0.000 0.755 295 A CB 0.044 19.078 19.000 0.056 0.000 0.980 295 A HN 0.731 nan 8.150 nan 0.000 0.506 296 C N 3.129 122.477 119.300 0.080 0.000 2.379 296 C HA 0.392 4.871 4.460 0.031 0.000 0.476 296 C C 1.710 176.742 174.990 0.070 0.000 1.068 296 C CA 0.261 59.332 59.018 0.088 0.000 1.406 296 C CB -1.993 25.804 27.740 0.096 0.000 1.496 296 C HN 0.935 nan 8.230 nan 0.000 0.551 297 T N -2.590 112.005 114.554 0.069 0.000 2.975 297 T HA 0.075 4.443 4.350 0.031 0.000 0.261 297 T C 1.772 176.510 174.700 0.065 0.000 0.984 297 T CA -0.126 62.011 62.100 0.060 0.000 0.911 297 T CB 0.039 68.935 68.868 0.046 0.000 1.127 297 T HN 0.365 nan 8.240 nan 0.000 0.514 298 R N 2.186 122.729 120.500 0.071 0.000 2.119 298 R HA 0.221 4.580 4.340 0.031 0.000 0.222 298 R C 0.948 177.295 176.300 0.079 0.000 1.088 298 R CA 0.732 56.872 56.100 0.066 0.000 0.984 298 R CB -0.237 30.099 30.300 0.061 0.000 0.884 298 R HN 0.387 nan 8.270 nan 0.000 0.447 299 K N 1.484 121.952 120.400 0.113 0.000 3.109 299 K HA 0.273 4.612 4.320 0.031 0.000 0.214 299 K C 0.657 177.374 176.600 0.195 0.000 1.196 299 K CA -0.015 56.358 56.287 0.143 0.000 1.115 299 K CB 0.459 33.051 32.500 0.153 0.000 1.103 299 K HN 0.192 nan 8.250 nan 0.000 0.467 300 I N -3.746 116.908 120.570 0.140 0.000 3.966 300 I HA 0.300 4.488 4.170 0.031 0.000 0.324 300 I C 0.515 176.733 176.117 0.170 0.000 1.517 300 I CA -0.514 60.859 61.300 0.122 0.000 1.117 300 I CB 0.575 38.596 38.000 0.035 0.000 1.190 300 I HN 0.221 nan 8.210 nan 0.000 0.466 301 G N 2.533 111.421 108.800 0.146 0.000 2.273 301 G HA2 -0.259 3.720 3.960 0.031 0.000 0.280 301 G HA3 -0.259 3.720 3.960 0.031 0.000 0.280 301 G C 0.580 175.562 174.900 0.136 0.000 1.047 301 G CA 0.553 45.738 45.100 0.141 0.000 0.869 301 G HN 0.514 nan 8.290 nan 0.000 0.502 302 L N -0.023 121.254 121.223 0.091 0.000 2.265 302 L HA -0.081 4.277 4.340 0.031 0.000 0.215 302 L C 2.920 179.732 176.870 -0.096 0.000 1.117 302 L CA 1.726 56.551 54.840 -0.026 0.000 0.782 302 L CB -0.272 41.777 42.059 -0.016 0.000 0.914 302 L HN 0.665 nan 8.230 nan 0.000 0.441 303 E N 0.015 120.191 120.200 -0.041 0.000 2.152 303 E HA -0.200 4.168 4.350 0.031 0.000 0.192 303 E C 1.761 178.324 176.600 -0.061 0.000 0.983 303 E CA 1.726 58.096 56.400 -0.050 0.000 0.818 303 E CB -0.716 28.972 29.700 -0.020 0.000 0.758 303 E HN 0.496 nan 8.360 nan 0.000 0.467 304 T N -1.547 112.981 114.554 -0.043 0.000 3.163 304 T HA 0.121 4.489 4.350 0.031 0.000 0.260 304 T C 1.421 176.066 174.700 -0.092 0.000 1.156 304 T CA 0.623 62.703 62.100 -0.034 0.000 1.072 304 T CB 0.431 69.313 68.868 0.023 0.000 0.937 304 T HN 0.075 nan 8.240 nan 0.000 0.528 305 V N -0.669 119.127 119.914 -0.197 0.000 3.432 305 V HA 0.535 4.674 4.120 0.031 0.000 0.290 305 V C 1.327 177.246 176.094 -0.290 0.000 1.591 305 V CA 0.427 62.543 62.300 -0.306 0.000 1.069 305 V CB 0.173 31.573 31.823 -0.706 0.000 0.892 305 V HN 0.689 nan 8.190 nan 0.000 0.436 306 G N 1.012 109.682 108.800 -0.217 0.000 2.137 306 G HA2 -0.196 3.783 3.960 0.031 0.000 0.237 306 G HA3 -0.196 3.783 3.960 0.031 0.000 0.237 306 G C 0.121 174.904 174.900 -0.195 0.000 1.002 306 G CA 0.304 45.301 45.100 -0.172 0.000 0.702 306 G HN 0.721 nan 8.290 nan 0.000 0.515 307 V N 1.017 120.785 119.914 -0.243 0.000 2.455 307 V HA 0.337 4.476 4.120 0.031 0.000 0.273 307 V C 0.793 176.805 176.094 -0.136 0.000 1.045 307 V CA 0.036 62.204 62.300 -0.220 0.000 0.976 307 V CB 1.201 32.860 31.823 -0.273 0.000 0.993 307 V HN 0.350 nan 8.190 nan 0.000 0.475 308 K N 5.940 126.273 120.400 -0.113 0.000 2.143 308 K HA 0.663 5.002 4.320 0.031 0.000 0.272 308 K C -0.094 176.469 176.600 -0.062 0.000 1.001 308 K CA -0.367 55.874 56.287 -0.077 0.000 0.915 308 K CB 1.703 34.163 32.500 -0.067 0.000 1.047 308 K HN 0.717 nan 8.250 nan 0.000 0.458 309 I N -1.672 118.872 120.570 -0.043 0.000 3.730 309 I HA 0.463 4.652 4.170 0.031 0.000 0.273 309 I C -0.762 175.341 176.117 -0.023 0.000 1.166 309 I CA -1.046 60.237 61.300 -0.030 0.000 1.156 309 I CB 1.631 39.621 38.000 -0.016 0.000 1.385 309 I HN 0.372 nan 8.210 nan 0.000 0.486 310 N N 1.632 120.324 118.700 -0.014 0.000 2.511 310 N HA 0.172 4.931 4.740 0.031 0.000 0.249 310 N C 0.146 175.655 175.510 -0.003 0.000 0.971 310 N CA -0.212 52.831 53.050 -0.011 0.000 0.938 310 N CB 1.201 39.683 38.487 -0.009 0.000 1.131 310 N HN 0.586 nan 8.380 nan 0.000 0.505 311 E N 2.380 122.579 120.200 -0.003 0.000 2.409 311 E HA -0.131 4.238 4.350 0.031 0.000 0.198 311 E C 1.038 177.644 176.600 0.009 0.000 1.024 311 E CA 0.479 56.881 56.400 0.004 0.000 0.861 311 E CB 0.457 30.158 29.700 0.001 0.000 0.788 311 E HN 0.667 nan 8.360 nan 0.000 0.521 312 K N 0.698 121.103 120.400 0.007 0.000 2.021 312 K HA -0.083 4.256 4.320 0.031 0.000 0.205 312 K C 2.083 178.693 176.600 0.017 0.000 1.047 312 K CA 1.731 58.024 56.287 0.011 0.000 0.943 312 K CB 0.127 32.631 32.500 0.007 0.000 0.725 312 K HN 0.143 nan 8.250 nan 0.000 0.439 313 T N -4.159 110.404 114.554 0.016 0.000 3.037 313 T HA 0.235 4.604 4.350 0.031 0.000 0.252 313 T C 1.351 176.067 174.700 0.027 0.000 1.073 313 T CA 0.694 62.808 62.100 0.022 0.000 1.091 313 T CB 0.673 69.552 68.868 0.018 0.000 0.935 313 T HN 0.412 nan 8.240 nan 0.000 0.488 314 G N 1.645 110.458 108.800 0.023 0.000 2.213 314 G HA2 -0.189 3.790 3.960 0.031 0.000 0.236 314 G HA3 -0.189 3.790 3.960 0.031 0.000 0.236 314 G C 0.033 174.947 174.900 0.023 0.000 0.991 314 G CA -0.112 45.005 45.100 0.028 0.000 0.629 314 G HN 0.623 nan 8.290 nan 0.000 0.517 315 K N 0.835 121.244 120.400 0.016 0.000 2.218 315 K HA 0.537 4.876 4.320 0.031 0.000 0.276 315 K C 0.547 177.145 176.600 -0.003 0.000 1.022 315 K CA -0.518 55.775 56.287 0.009 0.000 0.946 315 K CB 1.391 33.894 32.500 0.005 0.000 1.000 315 K HN 0.349 nan 8.250 nan 0.000 0.468 316 I N 5.339 125.906 120.570 -0.005 0.000 2.337 316 I HA 0.103 4.291 4.170 0.031 0.000 0.291 316 I C -1.793 174.304 176.117 -0.033 0.000 1.046 316 I CA -1.989 59.300 61.300 -0.019 0.000 1.324 316 I CB 1.035 39.028 38.000 -0.011 0.000 1.409 316 I HN 0.212 nan 8.210 nan 0.000 0.494 317 P HA 0.231 nan 4.420 nan 0.000 0.279 317 P C -0.764 176.500 177.300 -0.059 0.000 1.239 317 P CA -0.071 62.998 63.100 -0.052 0.000 0.789 317 P CB 1.786 33.456 31.700 -0.049 0.000 0.933 318 V N -0.810 119.066 119.914 -0.064 0.000 3.181 318 V HA 0.659 4.797 4.120 0.031 0.000 0.308 318 V C 0.596 176.658 176.094 -0.054 0.000 1.214 318 V CA -0.850 61.415 62.300 -0.057 0.000 1.053 318 V CB 0.965 32.768 31.823 -0.033 0.000 1.069 318 V HN 0.707 nan 8.190 nan 0.000 0.441 319 T N -1.017 113.515 114.554 -0.037 0.000 2.715 319 T HA 0.206 4.575 4.350 0.031 0.000 0.320 319 T C 0.554 175.249 174.700 -0.008 0.000 1.046 319 T CA 0.694 62.781 62.100 -0.022 0.000 0.983 319 T CB 0.195 69.059 68.868 -0.008 0.000 1.183 319 T HN 1.109 nan 8.240 nan 0.000 0.522 320 D N -1.307 119.100 120.400 0.010 0.000 2.352 320 D HA 0.067 4.725 4.640 0.031 0.000 0.236 320 D C 0.580 176.925 176.300 0.076 0.000 1.148 320 D CA -0.084 53.934 54.000 0.031 0.000 0.844 320 D CB -0.297 40.522 40.800 0.033 0.000 0.933 320 D HN 0.806 nan 8.370 nan 0.000 0.507 321 E N 0.056 120.307 120.200 0.085 0.000 2.876 321 E HA 0.078 4.447 4.350 0.031 0.000 0.208 321 E C -0.502 176.204 176.600 0.176 0.000 0.981 321 E CA -0.230 56.240 56.400 0.118 0.000 1.174 321 E CB 0.457 30.229 29.700 0.120 0.000 1.047 321 E HN -0.009 nan 8.360 nan 0.000 0.477 322 E N 0.641 120.928 120.200 0.145 0.000 2.971 322 E HA -0.256 4.113 4.350 0.031 0.000 0.278 322 E C -0.155 176.601 176.600 0.260 0.000 1.009 322 E CA 0.844 57.350 56.400 0.177 0.000 0.862 322 E CB -1.282 28.530 29.700 0.186 0.000 1.436 322 E HN 0.350 nan 8.360 nan 0.000 0.434 323 Q N 0.688 120.567 119.800 0.132 0.000 2.243 323 Q HA 0.449 4.808 4.340 0.031 0.000 0.252 323 Q C 0.404 176.301 176.000 -0.172 0.000 0.909 323 Q CA 0.093 55.789 55.803 -0.177 0.000 0.922 323 Q CB 0.966 29.591 28.738 -0.187 0.000 1.215 323 Q HN 0.266 nan 8.270 nan 0.000 0.427 324 T N 0.415 114.815 114.554 -0.258 0.000 2.852 324 T HA 0.157 4.526 4.350 0.031 0.000 0.281 324 T C 1.063 175.642 174.700 -0.202 0.000 0.993 324 T CA 0.063 62.047 62.100 -0.194 0.000 0.933 324 T CB 0.372 69.115 68.868 -0.209 0.000 1.187 324 T HN 0.807 nan 8.240 nan 0.000 0.559 325 N N 0.141 118.741 118.700 -0.167 0.000 2.061 325 N HA -0.110 4.648 4.740 0.031 0.000 0.193 325 N C 0.479 175.882 175.510 -0.179 0.000 1.030 325 N CA 1.097 54.059 53.050 -0.146 0.000 0.856 325 N CB -1.399 37.015 38.487 -0.122 0.000 1.023 325 N HN 0.433 nan 8.380 nan 0.000 0.424 326 V N 3.056 122.819 119.914 -0.251 0.000 2.387 326 V HA 0.106 4.245 4.120 0.031 0.000 0.260 326 V C -1.073 174.797 176.094 -0.373 0.000 1.054 326 V CA -1.169 60.948 62.300 -0.304 0.000 0.967 326 V CB 0.704 32.244 31.823 -0.471 0.000 1.036 326 V HN 0.216 nan 8.190 nan 0.000 0.481 327 P HA -0.224 nan 4.420 nan 0.000 0.218 327 P C 0.983 178.161 177.300 -0.203 0.000 1.150 327 P CA 1.869 64.854 63.100 -0.192 0.000 0.841 327 P CB -0.013 31.674 31.700 -0.021 0.000 0.784 328 Y N -1.780 118.419 120.300 -0.169 0.000 2.468 328 Y HA 0.510 5.078 4.550 0.031 0.000 0.268 328 Y C 0.701 176.601 175.900 -0.001 0.000 1.177 328 Y CA -1.184 56.898 58.100 -0.030 0.000 1.265 328 Y CB -0.712 37.754 38.460 0.009 0.000 1.103 328 Y HN -0.201 nan 8.280 nan 0.000 0.522 329 I N 1.602 121.838 120.570 -0.557 0.000 2.418 329 I HA 0.307 4.496 4.170 0.031 0.000 0.287 329 I C -1.294 174.629 176.117 -0.323 0.000 1.008 329 I CA -0.922 60.170 61.300 -0.347 0.000 1.104 329 I CB 1.150 38.811 38.000 -0.565 0.000 1.264 329 I HN -0.055 nan 8.210 nan 0.000 0.438 330 Y N 4.195 124.494 120.300 -0.001 0.000 2.567 330 Y HA 0.808 5.377 4.550 0.031 0.000 0.333 330 Y C 0.275 176.192 175.900 0.028 0.000 1.106 330 Y CA -0.891 57.212 58.100 0.004 0.000 1.157 330 Y CB 1.958 40.428 38.460 0.016 0.000 1.277 330 Y HN 0.553 nan 8.280 nan 0.000 0.490 331 A N 2.485 125.418 122.820 0.188 0.000 2.449 331 A HA 0.895 5.234 4.320 0.031 0.000 0.302 331 A C -1.145 176.504 177.584 0.108 0.000 1.048 331 A CA -0.653 51.455 52.037 0.119 0.000 0.708 331 A CB 1.129 20.168 19.000 0.064 0.000 1.274 331 A HN 0.755 nan 8.150 nan 0.000 0.410 332 I N -1.485 119.139 120.570 0.090 0.000 3.191 332 I HA 0.948 5.136 4.170 0.031 0.000 0.313 332 I C 0.328 176.490 176.117 0.075 0.000 1.193 332 I CA -0.386 60.968 61.300 0.091 0.000 0.968 332 I CB 1.931 39.980 38.000 0.082 0.000 1.262 332 I HN 1.963 nan 8.210 nan 0.000 0.456 333 G N 2.532 111.385 108.800 0.089 0.000 2.587 333 G HA2 -0.200 3.779 3.960 0.031 0.000 0.212 333 G HA3 -0.200 3.779 3.960 0.031 0.000 0.212 333 G C -0.194 174.748 174.900 0.070 0.000 1.327 333 G CA 0.351 45.493 45.100 0.070 0.000 0.898 333 G HN 0.806 nan 8.290 nan 0.000 0.551 334 D N 0.212 120.646 120.400 0.056 0.000 2.311 334 D HA -0.093 4.566 4.640 0.031 0.000 0.212 334 D C 2.470 178.801 176.300 0.051 0.000 0.972 334 D CA 1.509 55.542 54.000 0.055 0.000 0.887 334 D CB -0.209 40.621 40.800 0.051 0.000 0.915 334 D HN 0.712 nan 8.370 nan 0.000 0.497 335 I N -2.365 118.234 120.570 0.048 0.000 3.251 335 I HA 0.018 4.206 4.170 0.031 0.000 0.277 335 I C 0.537 176.670 176.117 0.027 0.000 1.268 335 I CA 0.017 61.341 61.300 0.041 0.000 1.449 335 I CB -0.237 37.788 38.000 0.043 0.000 1.083 335 I HN -0.199 nan 8.210 nan 0.000 0.464 336 L N 2.324 123.561 121.223 0.023 0.000 2.452 336 L HA 0.202 4.561 4.340 0.031 0.000 0.267 336 L C 0.542 177.399 176.870 -0.021 0.000 1.188 336 L CA 0.204 55.038 54.840 -0.009 0.000 0.821 336 L CB 0.419 42.459 42.059 -0.032 0.000 1.102 336 L HN 0.299 nan 8.230 nan 0.000 0.470 337 E N 2.037 122.212 120.200 -0.042 0.000 2.197 337 E HA 0.062 4.430 4.350 0.031 0.000 0.281 337 E C -0.873 175.688 176.600 -0.065 0.000 0.995 337 E CA -0.541 55.836 56.400 -0.039 0.000 0.808 337 E CB 0.836 30.516 29.700 -0.034 0.000 1.093 337 E HN 0.589 nan 8.360 nan 0.000 0.394 338 D N 2.751 123.122 120.400 -0.048 0.000 2.746 338 D HA -0.150 4.508 4.640 0.031 0.000 0.236 338 D C -0.358 175.883 176.300 -0.099 0.000 1.129 338 D CA 0.879 54.843 54.000 -0.060 0.000 0.691 338 D CB -0.424 40.337 40.800 -0.065 0.000 1.077 338 D HN 0.421 nan 8.370 nan 0.000 0.432 339 K N -1.090 119.264 120.400 -0.077 0.000 2.479 339 K HA 0.702 5.040 4.320 0.031 0.000 0.284 339 K C 0.197 176.849 176.600 0.086 0.000 0.968 339 K CA -0.368 55.866 56.287 -0.090 0.000 1.226 339 K CB 0.562 32.937 32.500 -0.208 0.000 3.370 339 K HN -0.063 nan 8.250 nan 0.000 1.103 340 V N 2.011 122.044 119.914 0.199 0.000 2.569 340 V HA 0.272 4.410 4.120 0.031 0.000 0.301 340 V C -1.061 175.115 176.094 0.138 0.000 1.044 340 V CA -0.708 61.692 62.300 0.167 0.000 0.874 340 V CB 1.564 33.497 31.823 0.184 0.000 1.002 340 V HN 0.474 nan 8.190 nan 0.000 0.424 341 E N 5.213 125.475 120.200 0.103 0.000 1.979 341 E HA 0.542 4.911 4.350 0.031 0.000 0.285 341 E C -0.910 175.712 176.600 0.038 0.000 1.188 341 E CA 0.201 56.645 56.400 0.073 0.000 1.214 341 E CB 0.195 29.936 29.700 0.068 0.000 1.210 341 E HN 0.505 nan 8.360 nan 0.000 0.477 342 L N -0.011 121.234 121.223 0.038 0.000 2.434 342 L HA 0.310 4.669 4.340 0.031 0.000 0.260 342 L C 1.313 178.185 176.870 0.003 0.000 0.983 342 L CA -0.729 54.115 54.840 0.006 0.000 0.820 342 L CB 1.957 44.031 42.059 0.026 0.000 1.361 342 L HN 0.129 nan 8.230 nan 0.000 0.410 343 T N 0.815 115.360 114.554 -0.015 0.000 2.624 343 T HA -0.125 4.244 4.350 0.031 0.000 0.268 343 T C -1.115 173.575 174.700 -0.015 0.000 1.041 343 T CA 2.096 64.184 62.100 -0.020 0.000 1.159 343 T CB -0.699 68.150 68.868 -0.031 0.000 0.863 343 T HN 0.505 nan 8.240 nan 0.000 0.434 344 P HA 0.009 nan 4.420 nan 0.000 0.217 344 P C 1.657 178.933 177.300 -0.039 0.000 1.150 344 P CA 0.455 63.542 63.100 -0.022 0.000 0.832 344 P CB -0.176 31.514 31.700 -0.017 0.000 0.787 345 V N 0.411 120.303 119.914 -0.036 0.000 2.261 345 V HA -0.287 3.852 4.120 0.031 0.000 0.246 345 V C 2.482 178.554 176.094 -0.036 0.000 1.047 345 V CA 2.385 64.643 62.300 -0.070 0.000 1.015 345 V CB -1.659 30.152 31.823 -0.020 0.000 0.642 345 V HN 0.102 nan 8.190 nan 0.000 0.446 346 A N -0.349 122.475 122.820 0.006 0.000 1.908 346 A HA -0.224 4.115 4.320 0.031 0.000 0.218 346 A C 2.149 179.731 177.584 -0.003 0.000 1.181 346 A CA 2.184 54.232 52.037 0.018 0.000 0.627 346 A CB -0.596 18.412 19.000 0.013 0.000 0.818 346 A HN 0.543 nan 8.150 nan 0.000 0.445 347 I N -1.134 119.425 120.570 -0.018 0.000 2.252 347 I HA -0.260 3.929 4.170 0.031 0.000 0.245 347 I C 2.739 178.841 176.117 -0.025 0.000 1.102 347 I CA 1.700 62.989 61.300 -0.019 0.000 1.385 347 I CB -0.244 37.746 38.000 -0.017 0.000 1.064 347 I HN 0.423 nan 8.210 nan 0.000 0.414 348 Q N 1.179 120.952 119.800 -0.045 0.000 2.050 348 Q HA -0.183 4.176 4.340 0.031 0.000 0.202 348 Q C 2.200 178.169 176.000 -0.053 0.000 0.980 348 Q CA 2.294 58.059 55.803 -0.063 0.000 0.840 348 Q CB -0.265 28.406 28.738 -0.112 0.000 0.898 348 Q HN 0.491 nan 8.270 nan 0.000 0.424 349 A N -0.153 122.641 122.820 -0.044 0.000 1.877 349 A HA -0.063 4.276 4.320 0.031 0.000 0.216 349 A C 2.320 179.909 177.584 0.008 0.000 1.186 349 A CA 1.670 53.711 52.037 0.007 0.000 0.620 349 A CB -1.537 17.517 19.000 0.091 0.000 0.822 349 A HN 0.570 nan 8.150 nan 0.000 0.443 350 G N -0.365 108.438 108.800 0.006 0.000 2.446 350 G HA2 -0.261 3.718 3.960 0.031 0.000 0.217 350 G HA3 -0.261 3.718 3.960 0.031 0.000 0.217 350 G C 1.777 176.676 174.900 -0.002 0.000 1.168 350 G CA 1.014 46.115 45.100 0.001 0.000 0.771 350 G HN 0.600 nan 8.290 nan 0.000 0.551 351 R N -0.144 120.355 120.500 -0.001 0.000 2.066 351 R HA 0.120 4.479 4.340 0.031 0.000 0.232 351 R C 2.660 178.971 176.300 0.018 0.000 1.131 351 R CA 0.903 57.010 56.100 0.012 0.000 0.955 351 R CB -0.588 29.715 30.300 0.006 0.000 0.851 351 R HN 0.306 nan 8.270 nan 0.000 0.432 352 L N 0.788 122.009 121.223 -0.003 0.000 2.046 352 L HA -0.190 4.169 4.340 0.031 0.000 0.208 352 L C 2.532 179.381 176.870 -0.036 0.000 1.077 352 L CA 0.754 55.588 54.840 -0.010 0.000 0.747 352 L CB -0.613 41.436 42.059 -0.017 0.000 0.896 352 L HN 0.190 nan 8.230 nan 0.000 0.432 353 L N 0.764 121.955 121.223 -0.053 0.000 1.978 353 L HA -0.240 4.118 4.340 0.031 0.000 0.218 353 L C 2.691 179.449 176.870 -0.186 0.000 1.075 353 L CA 2.297 57.057 54.840 -0.134 0.000 0.767 353 L CB -0.935 41.038 42.059 -0.144 0.000 0.890 353 L HN 0.167 nan 8.230 nan 0.000 0.434 354 A N -1.264 121.500 122.820 -0.093 0.000 1.917 354 A HA -0.319 4.019 4.320 0.031 0.000 0.219 354 A C 2.245 179.836 177.584 0.011 0.000 1.182 354 A CA 2.157 54.181 52.037 -0.022 0.000 0.633 354 A CB -0.734 18.357 19.000 0.153 0.000 0.819 354 A HN 0.720 nan 8.150 nan 0.000 0.448 355 Q N -1.022 118.809 119.800 0.051 0.000 2.124 355 Q HA -0.129 4.230 4.340 0.031 0.000 0.202 355 Q C 2.390 178.326 176.000 -0.106 0.000 0.977 355 Q CA 1.427 57.246 55.803 0.028 0.000 0.850 355 Q CB -0.116 28.657 28.738 0.058 0.000 0.901 355 Q HN 0.632 nan 8.270 nan 0.000 0.429 356 R N -0.043 120.382 120.500 -0.125 0.000 2.092 356 R HA -0.084 4.275 4.340 0.031 0.000 0.231 356 R C 2.222 178.387 176.300 -0.226 0.000 1.119 356 R CA 0.893 56.908 56.100 -0.141 0.000 0.970 356 R CB -0.193 30.039 30.300 -0.113 0.000 0.864 356 R HN 0.254 nan 8.270 nan 0.000 0.440 357 L N -0.832 120.151 121.223 -0.400 0.000 2.023 357 L HA -0.139 4.220 4.340 0.031 0.000 0.205 357 L C 1.176 177.733 176.870 -0.521 0.000 1.073 357 L CA 1.299 55.752 54.840 -0.644 0.000 0.745 357 L CB -0.115 41.150 42.059 -1.323 0.000 0.900 357 L HN 0.184 nan 8.230 nan 0.000 0.435 358 Y N -1.842 118.399 120.300 -0.098 0.000 2.584 358 Y HA 0.485 5.053 4.550 0.031 0.000 0.254 358 Y C 1.032 176.656 175.900 -0.459 0.000 1.177 358 Y CA -0.109 57.892 58.100 -0.165 0.000 1.216 358 Y CB 0.107 38.558 38.460 -0.015 0.000 1.172 358 Y HN 0.020 nan 8.280 nan 0.000 0.529 359 A N -0.700 121.907 122.820 -0.355 0.000 2.674 359 A HA 0.565 4.904 4.320 0.031 0.000 0.274 359 A C 1.634 179.083 177.584 -0.226 0.000 1.065 359 A CA 0.188 51.930 52.037 -0.491 0.000 0.978 359 A CB -0.496 18.020 19.000 -0.808 0.000 1.242 359 A HN 0.504 nan 8.150 nan 0.000 0.583 360 G N 0.204 108.914 108.800 -0.150 0.000 2.187 360 G HA2 -0.246 3.732 3.960 0.031 0.000 0.261 360 G HA3 -0.246 3.732 3.960 0.031 0.000 0.261 360 G C 0.533 175.390 174.900 -0.072 0.000 1.000 360 G CA 0.903 45.949 45.100 -0.089 0.000 0.718 360 G HN 1.330 nan 8.290 nan 0.000 0.519 361 S N -0.990 114.661 115.700 -0.081 0.000 2.600 361 S HA 0.610 5.098 4.470 0.031 0.000 0.265 361 S C 1.496 176.073 174.600 -0.039 0.000 1.325 361 S CA 1.250 59.420 58.200 -0.051 0.000 1.002 361 S CB 1.070 64.244 63.200 -0.042 0.000 0.921 361 S HN 1.411 nan 8.310 nan 0.000 0.554 362 T N 0.154 114.694 114.554 -0.023 0.000 3.262 362 T HA 0.300 4.669 4.350 0.031 0.000 0.300 362 T C -0.419 174.278 174.700 -0.006 0.000 0.959 362 T CA -0.336 61.756 62.100 -0.013 0.000 0.936 362 T CB -0.372 68.492 68.868 -0.008 0.000 1.169 362 T HN 0.296 nan 8.240 nan 0.000 0.532 363 V N 2.673 122.582 119.914 -0.009 0.000 2.530 363 V HA 0.465 4.604 4.120 0.031 0.000 0.282 363 V C 0.063 176.157 176.094 0.000 0.000 1.048 363 V CA -0.532 61.765 62.300 -0.004 0.000 0.997 363 V CB 0.888 32.706 31.823 -0.008 0.000 0.987 363 V HN 0.402 nan 8.190 nan 0.000 0.477 364 K N 2.770 123.176 120.400 0.011 0.000 2.221 364 K HA 0.546 4.885 4.320 0.031 0.000 0.243 364 K C -0.525 176.086 176.600 0.018 0.000 0.968 364 K CA -0.629 55.676 56.287 0.030 0.000 0.846 364 K CB 1.915 34.449 32.500 0.056 0.000 1.141 364 K HN 0.712 nan 8.250 nan 0.000 0.434 365 C N 1.793 121.108 119.300 0.025 0.000 2.632 365 C HA 0.108 4.587 4.460 0.031 0.000 0.415 365 C C 0.028 174.966 174.990 -0.086 0.000 1.332 365 C CA -0.067 58.896 59.018 -0.092 0.000 1.874 365 C CB -0.613 27.016 27.740 -0.186 0.000 2.596 365 C HN 0.706 nan 8.230 nan 0.000 0.590 366 D N 3.968 124.274 120.400 -0.157 0.000 2.396 366 D HA 0.224 4.882 4.640 0.031 0.000 0.225 366 D C -0.128 176.096 176.300 -0.128 0.000 1.121 366 D CA -0.187 53.783 54.000 -0.051 0.000 0.853 366 D CB 0.287 41.068 40.800 -0.032 0.000 1.043 366 D HN 0.701 nan 8.370 nan 0.000 0.500 367 Y N 1.462 121.769 120.300 0.011 0.000 2.462 367 Y HA 0.107 4.675 4.550 0.031 0.000 0.293 367 Y C 0.741 176.650 175.900 0.015 0.000 1.195 367 Y CA -0.029 58.079 58.100 0.013 0.000 1.276 367 Y CB 0.184 38.652 38.460 0.013 0.000 1.082 367 Y HN 0.191 nan 8.280 nan 0.000 0.514 368 E N 1.124 121.396 120.200 0.120 0.000 2.227 368 E HA 0.116 4.485 4.350 0.031 0.000 0.282 368 E C 0.008 176.639 176.600 0.052 0.000 1.015 368 E CA -0.244 56.207 56.400 0.085 0.000 0.823 368 E CB 0.588 30.333 29.700 0.074 0.000 1.081 368 E HN 0.264 nan 8.360 nan 0.000 0.396 369 N N 0.317 119.050 118.700 0.055 0.000 2.754 369 N HA -0.157 4.602 4.740 0.031 0.000 0.248 369 N C -0.547 174.973 175.510 0.016 0.000 1.093 369 N CA 0.385 53.458 53.050 0.038 0.000 0.699 369 N CB -1.501 37.005 38.487 0.032 0.000 1.016 369 N HN 0.187 nan 8.380 nan 0.000 0.552 370 V N 2.179 122.108 119.914 0.025 0.000 2.508 370 V HA 0.210 4.349 4.120 0.031 0.000 0.281 370 V C -1.108 174.997 176.094 0.018 0.000 1.041 370 V CA -0.699 61.607 62.300 0.009 0.000 1.016 370 V CB 1.132 32.968 31.823 0.021 0.000 0.984 370 V HN 0.134 nan 8.190 nan 0.000 0.478 371 P HA 0.360 nan 4.420 nan 0.000 0.279 371 P C -0.533 176.785 177.300 0.030 0.000 1.252 371 P CA -0.174 62.921 63.100 -0.009 0.000 0.811 371 P CB 1.722 33.390 31.700 -0.054 0.000 1.035 372 T N -0.730 113.844 114.554 0.033 0.000 2.841 372 T HA 0.579 4.948 4.350 0.031 0.000 0.296 372 T C -1.431 173.252 174.700 -0.028 0.000 1.166 372 T CA -0.270 61.885 62.100 0.092 0.000 1.007 372 T CB 1.220 70.248 68.868 0.267 0.000 1.253 372 T HN 0.392 nan 8.240 nan 0.000 0.511 373 T N 1.681 116.202 114.554 -0.055 0.000 3.032 373 T HA 0.510 4.878 4.350 0.031 0.000 0.312 373 T C -1.197 173.278 174.700 -0.374 0.000 1.078 373 T CA -0.409 61.481 62.100 -0.350 0.000 1.028 373 T CB 1.396 69.925 68.868 -0.565 0.000 1.091 373 T HN 0.499 nan 8.240 nan 0.000 0.457 374 V N 4.175 123.904 119.914 -0.307 0.000 2.370 374 V HA 0.382 4.520 4.120 0.031 0.000 0.279 374 V C -0.344 175.614 176.094 -0.226 0.000 1.029 374 V CA -0.547 61.711 62.300 -0.072 0.000 0.870 374 V CB 0.524 32.305 31.823 -0.069 0.000 0.984 374 V HN 0.885 nan 8.190 nan 0.000 0.451 375 F N 3.474 123.448 119.950 0.040 0.000 2.733 375 F HA 0.188 4.734 4.527 0.032 0.000 0.344 375 F C 1.534 177.180 175.800 -0.256 0.000 1.179 375 F CA -0.465 57.432 58.000 -0.170 0.000 1.316 375 F CB -0.359 38.445 39.000 -0.326 0.000 1.577 375 F HN 0.553 nan 8.300 nan 0.000 0.591 376 T N -2.665 111.922 114.554 0.054 0.000 2.816 376 T HA 0.182 4.551 4.350 0.031 0.000 0.282 376 T C -1.539 173.283 174.700 0.203 0.000 0.993 376 T CA -1.764 60.402 62.100 0.110 0.000 0.994 376 T CB 1.136 70.060 68.868 0.093 0.000 1.025 376 T HN -0.037 nan 8.240 nan 0.000 0.529 377 P HA -0.075 nan 4.420 nan 0.000 0.217 377 P C 0.229 177.635 177.300 0.177 0.000 1.158 377 P CA 0.764 64.033 63.100 0.282 0.000 0.887 377 P CB -0.001 31.852 31.700 0.255 0.000 0.792 378 L N 0.170 121.372 121.223 -0.036 0.000 2.262 378 L HA 0.212 4.571 4.340 0.031 0.000 0.288 378 L C 0.017 176.907 176.870 0.034 0.000 1.035 378 L CA -0.610 54.147 54.840 -0.137 0.000 0.820 378 L CB 0.217 41.909 42.059 -0.611 0.000 1.204 378 L HN -0.098 nan 8.230 nan 0.000 0.424 379 E N 3.440 123.721 120.200 0.135 0.000 2.415 379 E HA 0.029 4.397 4.350 0.031 0.000 0.262 379 E C -1.408 175.274 176.600 0.137 0.000 1.038 379 E CA 0.158 56.622 56.400 0.107 0.000 0.921 379 E CB 0.702 30.470 29.700 0.114 0.000 0.950 379 E HN 0.444 nan 8.360 nan 0.000 0.438 380 Y N 0.872 121.114 120.300 -0.097 0.000 2.331 380 Y HA 0.498 5.066 4.550 0.031 0.000 0.334 380 Y C -0.361 175.496 175.900 -0.072 0.000 0.960 380 Y CA -1.053 57.008 58.100 -0.064 0.000 1.130 380 Y CB 1.428 39.816 38.460 -0.119 0.000 1.164 380 Y HN 0.486 nan 8.280 nan 0.000 0.458 381 G N 3.353 111.987 108.800 -0.276 0.000 2.452 381 G HA2 0.791 4.769 3.960 0.031 0.000 0.324 381 G HA3 0.791 4.769 3.960 0.031 0.000 0.324 381 G C -1.717 172.935 174.900 -0.413 0.000 1.214 381 G CA -0.441 44.473 45.100 -0.311 0.000 0.947 381 G HN 1.008 nan 8.290 nan 0.000 0.478 382 A N -0.081 122.530 122.820 -0.349 0.000 2.606 382 A HA 0.790 5.129 4.320 0.031 0.000 0.293 382 A C -1.140 176.383 177.584 -0.102 0.000 1.082 382 A CA -0.578 51.292 52.037 -0.278 0.000 0.685 382 A CB 1.639 20.394 19.000 -0.409 0.000 1.284 382 A HN 1.867 nan 8.150 nan 0.000 0.408 383 C N 0.718 119.973 119.300 -0.075 0.000 2.931 383 C HA 0.797 5.276 4.460 0.031 0.000 0.370 383 C C 0.522 175.515 174.990 0.006 0.000 1.071 383 C CA 1.317 60.321 59.018 -0.024 0.000 1.266 383 C CB 0.578 28.287 27.740 -0.052 0.000 1.691 383 C HN 3.026 nan 8.230 nan 0.000 0.511 384 G N 4.258 113.081 108.800 0.039 0.000 2.545 384 G HA2 -0.050 3.929 3.960 0.031 0.000 0.216 384 G HA3 -0.050 3.929 3.960 0.031 0.000 0.216 384 G C -1.015 173.964 174.900 0.131 0.000 1.314 384 G CA -0.275 44.878 45.100 0.088 0.000 0.906 384 G HN 1.140 nan 8.290 nan 0.000 0.563 385 L N 1.175 122.512 121.223 0.189 0.000 2.418 385 L HA 0.539 4.898 4.340 0.031 0.000 0.265 385 L C 1.581 178.661 176.870 0.349 0.000 1.143 385 L CA -0.061 54.913 54.840 0.223 0.000 0.809 385 L CB 1.367 43.554 42.059 0.212 0.000 1.124 385 L HN 0.990 nan 8.230 nan 0.000 0.456 386 S N 0.001 115.869 115.700 0.280 0.000 2.655 386 S HA 0.090 4.579 4.470 0.031 0.000 0.265 386 S C 0.811 175.469 174.600 0.096 0.000 1.240 386 S CA -0.487 57.853 58.200 0.234 0.000 0.986 386 S CB 1.376 64.677 63.200 0.169 0.000 0.985 386 S HN 0.763 nan 8.310 nan 0.000 0.562 387 E N 0.644 120.823 120.200 -0.035 0.000 2.047 387 E HA -0.205 4.164 4.350 0.031 0.000 0.191 387 E C 1.616 178.225 176.600 0.016 0.000 0.987 387 E CA 1.490 57.877 56.400 -0.021 0.000 0.799 387 E CB -0.289 29.361 29.700 -0.083 0.000 0.752 387 E HN 0.799 nan 8.360 nan 0.000 0.449 388 E N 0.956 121.161 120.200 0.010 0.000 2.035 388 E HA -0.214 4.154 4.350 0.031 0.000 0.204 388 E C 2.052 178.673 176.600 0.036 0.000 1.025 388 E CA 1.782 58.192 56.400 0.017 0.000 0.835 388 E CB -0.089 29.619 29.700 0.014 0.000 0.764 388 E HN 0.146 nan 8.360 nan 0.000 0.457 389 K N 0.018 120.448 120.400 0.050 0.000 2.360 389 K HA -0.057 4.282 4.320 0.031 0.000 0.201 389 K C 1.977 178.629 176.600 0.086 0.000 1.046 389 K CA 0.832 57.150 56.287 0.053 0.000 0.945 389 K CB -0.040 32.493 32.500 0.054 0.000 0.750 389 K HN 0.134 nan 8.250 nan 0.000 0.464 390 A N 0.784 123.682 122.820 0.129 0.000 1.874 390 A HA -0.055 4.283 4.320 0.031 0.000 0.214 390 A C 2.308 180.032 177.584 0.232 0.000 1.189 390 A CA 0.742 52.918 52.037 0.231 0.000 0.615 390 A CB -0.486 18.632 19.000 0.197 0.000 0.830 390 A HN 0.039 nan 8.150 nan 0.000 0.443 391 V N 0.530 120.518 119.914 0.124 0.000 2.332 391 V HA -0.309 3.830 4.120 0.031 0.000 0.248 391 V C 2.603 178.743 176.094 0.077 0.000 1.055 391 V CA 2.554 64.908 62.300 0.090 0.000 1.038 391 V CB -0.579 31.268 31.823 0.040 0.000 0.651 391 V HN 0.812 nan 8.190 nan 0.000 0.450 392 E N 0.266 120.494 120.200 0.046 0.000 2.031 392 E HA -0.297 4.072 4.350 0.031 0.000 0.193 392 E C 2.364 178.943 176.600 -0.035 0.000 0.994 392 E CA 1.775 58.179 56.400 0.007 0.000 0.800 392 E CB -0.235 29.463 29.700 -0.003 0.000 0.752 392 E HN 0.565 nan 8.360 nan 0.000 0.447 393 K N -0.887 119.466 120.400 -0.078 0.000 2.148 393 K HA -0.123 4.215 4.320 0.031 0.000 0.204 393 K C 1.223 177.569 176.600 -0.422 0.000 1.050 393 K CA 1.401 57.504 56.287 -0.306 0.000 0.942 393 K CB 0.010 32.214 32.500 -0.494 0.000 0.724 393 K HN 0.184 nan 8.250 nan 0.000 0.446 394 F N -0.593 119.364 119.950 0.011 0.000 2.784 394 F HA 0.315 4.861 4.527 0.031 0.000 0.323 394 F C 0.387 176.190 175.800 0.004 0.000 1.085 394 F CA 0.119 58.125 58.000 0.010 0.000 1.196 394 F CB 1.618 40.627 39.000 0.014 0.000 1.053 394 F HN 0.097 nan 8.300 nan 0.000 0.578 395 G N 1.835 110.737 108.800 0.169 0.000 3.338 395 G HA2 -0.202 3.776 3.960 0.031 0.000 0.686 395 G HA3 -0.202 3.776 3.960 0.031 0.000 0.686 395 G C 0.368 175.315 174.900 0.078 0.000 1.053 395 G CA -0.071 45.086 45.100 0.095 0.000 0.852 395 G HN 0.365 nan 8.290 nan 0.000 0.545 396 E N 1.109 121.336 120.200 0.045 0.000 2.136 396 E HA -0.324 4.045 4.350 0.031 0.000 0.208 396 E C 2.188 178.794 176.600 0.010 0.000 1.035 396 E CA 2.233 58.646 56.400 0.021 0.000 0.838 396 E CB -0.045 29.659 29.700 0.007 0.000 0.748 396 E HN 0.780 nan 8.360 nan 0.000 0.459 397 E N -0.016 120.193 120.200 0.014 0.000 2.333 397 E HA -0.214 4.155 4.350 0.031 0.000 0.198 397 E C 0.801 177.402 176.600 0.002 0.000 1.007 397 E CA 1.080 57.482 56.400 0.005 0.000 0.845 397 E CB -0.201 29.505 29.700 0.009 0.000 0.766 397 E HN 0.336 nan 8.360 nan 0.000 0.507 398 N N 0.320 119.030 118.700 0.017 0.000 2.203 398 N HA 0.141 4.900 4.740 0.031 0.000 0.207 398 N C -0.408 175.080 175.510 -0.037 0.000 1.130 398 N CA -0.089 52.962 53.050 0.002 0.000 0.861 398 N CB 0.818 39.329 38.487 0.039 0.000 1.005 398 N HN 0.126 nan 8.380 nan 0.000 0.507 399 I N 1.159 121.711 120.570 -0.030 0.000 2.378 399 I HA 0.270 4.458 4.170 0.031 0.000 0.291 399 I C 0.032 176.098 176.117 -0.086 0.000 0.992 399 I CA -0.959 60.309 61.300 -0.052 0.000 1.154 399 I CB 1.744 39.738 38.000 -0.009 0.000 1.315 399 I HN -0.121 nan 8.210 nan 0.000 0.448 400 E N 5.212 125.341 120.200 -0.118 0.000 2.187 400 E HA 0.577 4.946 4.350 0.031 0.000 0.268 400 E C -1.510 174.939 176.600 -0.252 0.000 0.896 400 E CA -0.461 55.802 56.400 -0.228 0.000 0.766 400 E CB 1.735 31.259 29.700 -0.294 0.000 1.142 400 E HN 0.278 nan 8.360 nan 0.000 0.408 401 V N 5.678 125.414 119.914 -0.298 0.000 2.357 401 V HA 0.358 4.497 4.120 0.031 0.000 0.284 401 V C -0.953 174.990 176.094 -0.253 0.000 1.018 401 V CA -0.629 61.542 62.300 -0.215 0.000 0.841 401 V CB 0.499 32.200 31.823 -0.203 0.000 0.991 401 V HN 0.635 nan 8.190 nan 0.000 0.437 402 Y N 4.804 125.090 120.300 -0.022 0.000 2.330 402 Y HA 0.689 5.258 4.550 0.031 0.000 0.336 402 Y C 0.547 176.487 175.900 0.066 0.000 1.036 402 Y CA -0.422 57.700 58.100 0.038 0.000 1.125 402 Y CB 1.353 39.823 38.460 0.015 0.000 1.194 402 Y HN 0.865 nan 8.280 nan 0.000 0.469 403 H N -0.979 118.104 119.070 0.022 0.000 3.017 403 H HA 0.833 5.408 4.556 0.031 0.000 0.346 403 H C -1.500 173.709 175.328 -0.199 0.000 1.286 403 H CA -1.241 54.694 56.048 -0.187 0.000 1.120 403 H CB 2.180 31.817 29.762 -0.207 0.000 1.860 403 H HN 0.498 nan 8.280 nan 0.000 0.542 404 S N 0.752 116.166 115.700 -0.476 0.000 2.556 404 S HA 0.286 4.774 4.470 0.031 0.000 0.280 404 S C -1.864 172.537 174.600 -0.333 0.000 1.141 404 S CA -0.744 57.242 58.200 -0.356 0.000 0.883 404 S CB 0.836 63.911 63.200 -0.208 0.000 1.103 404 S HN 0.529 nan 8.310 nan 0.000 0.453 405 Y N 2.789 123.074 120.300 -0.025 0.000 2.300 405 Y HA 0.627 5.196 4.550 0.031 0.000 0.328 405 Y C 0.341 176.330 175.900 0.148 0.000 1.270 405 Y CA 0.272 58.409 58.100 0.062 0.000 1.352 405 Y CB 0.806 39.285 38.460 0.031 0.000 1.286 405 Y HN 0.658 nan 8.280 nan 0.000 0.536 406 F N -1.146 118.867 119.950 0.105 0.000 2.662 406 F HA 0.565 5.111 4.527 0.031 0.000 0.312 406 F C -1.981 173.917 175.800 0.164 0.000 1.113 406 F CA -1.870 56.175 58.000 0.075 0.000 0.951 406 F CB 1.150 40.123 39.000 -0.044 0.000 1.344 406 F HN 0.381 nan 8.300 nan 0.000 0.462 407 W N 3.980 125.358 121.300 0.131 0.000 2.587 407 W HA 0.691 5.369 4.660 0.031 0.000 0.324 407 W C -3.085 173.411 176.519 -0.037 0.000 1.008 407 W CA -3.406 53.932 57.345 -0.011 0.000 1.265 407 W CB 1.480 30.990 29.460 0.082 0.000 1.328 407 W HN 0.360 nan 8.180 nan 0.000 0.432 408 P HA -0.090 nan 4.420 nan 0.000 0.263 408 P C 1.087 178.203 177.300 -0.307 0.000 1.195 408 P CA -0.003 62.893 63.100 -0.341 0.000 0.762 408 P CB 0.693 31.775 31.700 -1.031 0.000 0.799 409 L N 4.921 126.044 121.223 -0.167 0.000 1.997 409 L HA -0.275 4.084 4.340 0.031 0.000 0.216 409 L C 1.696 178.511 176.870 -0.091 0.000 1.074 409 L CA 2.098 56.840 54.840 -0.164 0.000 0.763 409 L CB -1.197 40.808 42.059 -0.090 0.000 0.890 409 L HN 0.337 nan 8.230 nan 0.000 0.434 410 E N -1.185 119.044 120.200 0.047 0.000 2.284 410 E HA -0.269 4.100 4.350 0.031 0.000 0.200 410 E C 1.787 178.662 176.600 0.458 0.000 1.008 410 E CA 1.664 58.232 56.400 0.280 0.000 0.829 410 E CB -0.471 29.403 29.700 0.290 0.000 0.744 410 E HN 0.624 nan 8.360 nan 0.000 0.491 411 W N 0.210 121.478 121.300 -0.052 0.000 2.658 411 W HA 0.073 4.751 4.660 0.031 0.000 0.263 411 W C 2.231 178.645 176.519 -0.175 0.000 1.274 411 W CA 1.209 58.547 57.345 -0.013 0.000 1.343 411 W CB -1.276 28.289 29.460 0.176 0.000 1.106 411 W HN 0.177 nan 8.180 nan 0.000 0.615 412 T N -1.416 112.910 114.554 -0.380 0.000 2.720 412 T HA -0.206 4.162 4.350 0.031 0.000 0.268 412 T C 1.807 176.387 174.700 -0.201 0.000 1.037 412 T CA 1.372 63.133 62.100 -0.564 0.000 1.144 412 T CB -0.619 67.861 68.868 -0.647 0.000 0.864 412 T HN -0.076 nan 8.240 nan 0.000 0.444 413 I N 2.679 123.123 120.570 -0.211 0.000 2.226 413 I HA -0.037 4.152 4.170 0.031 0.000 0.245 413 I C -0.222 175.767 176.117 -0.213 0.000 1.100 413 I CA 1.126 62.228 61.300 -0.331 0.000 1.374 413 I CB -2.039 35.443 38.000 -0.863 0.000 1.057 413 I HN 0.307 nan 8.210 nan 0.000 0.413 414 P HA -0.064 nan 4.420 nan 0.000 0.229 414 P C 0.515 177.859 177.300 0.073 0.000 1.160 414 P CA 0.706 63.817 63.100 0.018 0.000 0.777 414 P CB 0.095 31.852 31.700 0.096 0.000 0.814 415 S N 0.103 115.885 115.700 0.135 0.000 3.866 415 S HA -0.139 4.350 4.470 0.031 0.000 0.427 415 S C 0.110 174.882 174.600 0.286 0.000 0.891 415 S CA 0.457 58.812 58.200 0.257 0.000 1.275 415 S CB -1.629 61.665 63.200 0.157 0.000 0.872 415 S HN 0.650 nan 8.310 nan 0.000 0.562 416 R N 0.416 121.157 120.500 0.401 0.000 2.799 416 R HA 0.675 5.034 4.340 0.031 0.000 0.270 416 R C -0.628 175.926 176.300 0.423 0.000 1.010 416 R CA -0.326 55.935 56.100 0.268 0.000 0.916 416 R CB 0.352 30.700 30.300 0.081 0.000 1.228 416 R HN 0.076 nan 8.270 nan 0.000 0.469 417 D N 0.367 120.902 120.400 0.225 0.000 2.702 417 D HA -0.208 4.450 4.640 0.031 0.000 0.233 417 D C -0.696 175.697 176.300 0.154 0.000 1.164 417 D CA 1.041 55.199 54.000 0.264 0.000 0.638 417 D CB -0.816 40.155 40.800 0.286 0.000 1.041 417 D HN 0.593 nan 8.370 nan 0.000 0.422 418 N N 1.298 119.778 118.700 -0.366 0.000 2.479 418 N HA -0.044 4.714 4.740 0.031 0.000 0.257 418 N C 0.337 175.541 175.510 -0.509 0.000 1.232 418 N CA 0.392 52.716 53.050 -1.210 0.000 0.920 418 N CB 0.097 37.650 38.487 -1.557 0.000 1.105 418 N HN 0.224 nan 8.380 nan 0.000 0.444 419 N N 1.122 119.582 118.700 -0.400 0.000 2.705 419 N HA -0.212 4.547 4.740 0.031 0.000 0.255 419 N C -0.144 175.386 175.510 0.032 0.000 1.008 419 N CA 0.200 53.167 53.050 -0.139 0.000 0.742 419 N CB -0.032 38.252 38.487 -0.338 0.000 0.906 419 N HN 0.575 nan 8.380 nan 0.000 0.541 420 K N -0.763 119.719 120.400 0.137 0.000 2.436 420 K HA 0.156 4.495 4.320 0.031 0.000 0.198 420 K C 0.648 177.334 176.600 0.144 0.000 1.174 420 K CA 0.269 56.690 56.287 0.223 0.000 0.951 420 K CB 0.395 33.081 32.500 0.311 0.000 1.040 420 K HN 0.222 nan 8.250 nan 0.000 0.536 421 C N 1.797 121.043 119.300 -0.090 0.000 2.605 421 C HA 0.328 4.807 4.460 0.031 0.000 0.404 421 C C 0.107 174.829 174.990 -0.447 0.000 1.284 421 C CA -0.409 58.304 59.018 -0.508 0.000 2.199 421 C CB -0.855 26.080 27.740 -1.342 0.000 2.647 421 C HN 0.370 nan 8.230 nan 0.000 0.604 422 Y N 0.741 120.778 120.300 -0.438 0.000 2.479 422 Y HA 0.601 5.170 4.550 0.031 0.000 0.338 422 Y C -0.389 175.511 175.900 -0.001 0.000 1.055 422 Y CA -0.462 57.458 58.100 -0.301 0.000 1.023 422 Y CB 1.042 39.278 38.460 -0.374 0.000 1.287 422 Y HN 0.857 nan 8.280 nan 0.000 0.447 423 A N 5.944 128.407 122.820 -0.596 0.000 2.386 423 A HA 0.849 5.188 4.320 0.031 0.000 0.311 423 A C -1.561 175.647 177.584 -0.626 0.000 1.068 423 A CA -0.800 50.929 52.037 -0.514 0.000 0.743 423 A CB 1.354 19.787 19.000 -0.945 0.000 1.258 423 A HN 0.725 nan 8.150 nan 0.000 0.429 424 K N 1.810 122.049 120.400 -0.267 0.000 2.542 424 K HA 0.721 5.060 4.320 0.031 0.000 0.259 424 K C -1.410 175.191 176.600 0.002 0.000 0.932 424 K CA -0.636 55.569 56.287 -0.135 0.000 0.820 424 K CB 1.504 33.937 32.500 -0.111 0.000 1.345 424 K HN 0.827 nan 8.250 nan 0.000 0.432 425 I N -0.042 120.563 120.570 0.059 0.000 2.693 425 I HA 0.582 4.771 4.170 0.031 0.000 0.303 425 I C -0.755 175.445 176.117 0.138 0.000 1.025 425 I CA -1.470 59.885 61.300 0.093 0.000 1.086 425 I CB 1.672 39.732 38.000 0.101 0.000 1.268 425 I HN 0.420 nan 8.210 nan 0.000 0.440 426 I N 3.586 124.241 120.570 0.142 0.000 2.382 426 I HA 0.378 4.566 4.170 0.031 0.000 0.286 426 I C -0.458 175.708 176.117 0.082 0.000 1.002 426 I CA -0.612 60.747 61.300 0.099 0.000 1.135 426 I CB 1.026 39.096 38.000 0.117 0.000 1.288 426 I HN 0.677 nan 8.210 nan 0.000 0.448 427 C N 4.633 123.968 119.300 0.058 0.000 2.411 427 C HA 0.414 4.893 4.460 0.031 0.000 0.330 427 C C 0.775 175.717 174.990 -0.079 0.000 1.224 427 C CA -0.670 58.366 59.018 0.030 0.000 1.770 427 C CB 1.305 29.132 27.740 0.145 0.000 2.297 427 C HN 0.743 nan 8.230 nan 0.000 0.507 428 N N 1.369 119.970 118.700 -0.165 0.000 2.558 428 N HA 0.139 4.898 4.740 0.031 0.000 0.233 428 N C 1.033 176.440 175.510 -0.171 0.000 1.038 428 N CA 0.130 52.998 53.050 -0.304 0.000 0.934 428 N CB 0.793 38.907 38.487 -0.622 0.000 1.175 428 N HN 0.666 nan 8.380 nan 0.000 0.512 429 T N 2.219 116.708 114.554 -0.108 0.000 2.685 429 T HA -0.132 4.236 4.350 0.031 0.000 0.268 429 T C 1.409 176.083 174.700 -0.043 0.000 1.034 429 T CA 1.248 63.316 62.100 -0.053 0.000 1.149 429 T CB 0.050 68.895 68.868 -0.039 0.000 0.860 429 T HN 0.379 nan 8.240 nan 0.000 0.449 430 K N 0.988 121.356 120.400 -0.054 0.000 2.515 430 K HA -0.001 4.337 4.320 0.031 0.000 0.196 430 K C 0.570 177.154 176.600 -0.026 0.000 1.038 430 K CA 0.642 56.916 56.287 -0.021 0.000 0.967 430 K CB -0.089 32.419 32.500 0.014 0.000 0.780 430 K HN 0.288 nan 8.250 nan 0.000 0.483 431 D N 0.038 120.399 120.400 -0.064 0.000 2.938 431 D HA 0.136 4.794 4.640 0.031 0.000 0.369 431 D C -0.930 175.349 176.300 -0.034 0.000 1.301 431 D CA -0.234 53.737 54.000 -0.047 0.000 0.805 431 D CB -0.757 39.999 40.800 -0.073 0.000 1.161 431 D HN 0.080 nan 8.370 nan 0.000 0.474 432 N N 1.524 120.215 118.700 -0.016 0.000 2.725 432 N HA -0.234 4.525 4.740 0.031 0.000 0.249 432 N C -0.745 174.765 175.510 0.001 0.000 1.103 432 N CA 0.687 53.735 53.050 -0.002 0.000 0.707 432 N CB -0.656 37.832 38.487 0.002 0.000 1.043 432 N HN 0.437 nan 8.380 nan 0.000 0.553 433 E N -1.255 118.941 120.200 -0.007 0.000 2.297 433 E HA -0.279 4.089 4.350 0.031 0.000 0.228 433 E C 0.091 176.693 176.600 0.004 0.000 1.213 433 E CA 0.398 56.805 56.400 0.011 0.000 0.712 433 E CB -0.420 29.320 29.700 0.066 0.000 1.202 433 E HN 0.355 nan 8.360 nan 0.000 0.376 434 R N 0.009 120.488 120.500 -0.035 0.000 2.585 434 R HA 0.087 4.445 4.340 0.031 0.000 0.275 434 R C -0.449 175.843 176.300 -0.014 0.000 1.018 434 R CA 0.174 56.258 56.100 -0.026 0.000 1.072 434 R CB 0.737 31.005 30.300 -0.053 0.000 0.953 434 R HN 0.040 nan 8.270 nan 0.000 0.419 435 V N 7.493 127.423 119.914 0.027 0.000 2.338 435 V HA 0.015 4.154 4.120 0.031 0.000 0.255 435 V C 1.134 177.268 176.094 0.066 0.000 1.082 435 V CA 0.182 62.519 62.300 0.061 0.000 0.951 435 V CB 0.611 32.484 31.823 0.084 0.000 1.102 435 V HN 0.810 nan 8.190 nan 0.000 0.489 436 V N 2.059 122.007 119.914 0.058 0.000 3.354 436 V HA 0.498 4.637 4.120 0.031 0.000 0.258 436 V C 0.881 177.063 176.094 0.147 0.000 1.159 436 V CA 0.903 63.257 62.300 0.089 0.000 1.125 436 V CB -0.019 31.843 31.823 0.065 0.000 0.774 436 V HN 0.698 nan 8.190 nan 0.000 0.464 437 G N -0.222 108.681 108.800 0.172 0.000 2.719 437 G HA2 0.586 4.565 3.960 0.031 0.000 0.298 437 G HA3 0.586 4.565 3.960 0.031 0.000 0.298 437 G C -1.909 173.131 174.900 0.233 0.000 1.433 437 G CA -0.537 44.710 45.100 0.245 0.000 1.034 437 G HN 0.178 nan 8.290 nan 0.000 0.517 438 F N 3.354 123.249 119.950 -0.092 0.000 2.507 438 F HA 0.636 5.181 4.527 0.031 0.000 0.328 438 F C -0.577 174.977 175.800 -0.410 0.000 1.136 438 F CA -0.728 57.170 58.000 -0.170 0.000 0.930 438 F CB 1.492 40.333 39.000 -0.264 0.000 1.166 438 F HN 0.473 nan 8.300 nan 0.000 0.436 439 H N 5.072 123.868 119.070 -0.455 0.000 2.771 439 H HA 0.646 5.221 4.556 0.031 0.000 0.361 439 H C -1.480 173.811 175.328 -0.062 0.000 1.108 439 H CA -0.963 55.054 56.048 -0.052 0.000 1.201 439 H CB 2.380 32.271 29.762 0.215 0.000 1.681 439 H HN 0.514 nan 8.280 nan 0.000 0.534 440 V N 4.558 124.626 119.914 0.256 0.000 2.623 440 V HA 0.242 4.381 4.120 0.031 0.000 0.304 440 V C -1.424 174.929 176.094 0.431 0.000 1.054 440 V CA -0.726 61.798 62.300 0.374 0.000 0.882 440 V CB 2.196 34.328 31.823 0.516 0.000 1.002 440 V HN 0.492 nan 8.190 nan 0.000 0.424 441 L N 7.368 128.808 121.223 0.361 0.000 2.301 441 L HA 1.018 5.377 4.340 0.031 0.000 0.278 441 L C 0.052 177.005 176.870 0.138 0.000 1.022 441 L CA 0.943 55.936 54.840 0.256 0.000 0.854 441 L CB 0.681 42.834 42.059 0.157 0.000 1.226 441 L HN 0.918 nan 8.230 nan 0.000 0.429 442 G N 4.256 113.160 108.800 0.174 0.000 2.342 442 G HA2 0.356 4.334 3.960 0.031 0.000 0.297 442 G HA3 0.356 4.334 3.960 0.031 0.000 0.297 442 G C -3.378 171.641 174.900 0.199 0.000 1.313 442 G CA -0.710 44.463 45.100 0.123 0.000 0.830 442 G HN 0.350 nan 8.290 nan 0.000 0.506 443 P HA 0.126 nan 4.420 nan 0.000 0.269 443 P C -0.196 177.235 177.300 0.219 0.000 1.209 443 P CA 0.246 63.493 63.100 0.245 0.000 0.776 443 P CB 0.395 32.251 31.700 0.259 0.000 0.876 444 N N 0.148 118.978 118.700 0.216 0.000 2.721 444 N HA -0.233 4.525 4.740 0.031 0.000 0.249 444 N C 1.192 176.811 175.510 0.183 0.000 1.072 444 N CA 1.036 54.203 53.050 0.196 0.000 0.710 444 N CB -1.693 36.888 38.487 0.157 0.000 0.993 444 N HN 0.602 nan 8.380 nan 0.000 0.547 445 A N 0.085 123.009 122.820 0.173 0.000 1.948 445 A HA -0.069 4.270 4.320 0.031 0.000 0.220 445 A C 2.325 179.962 177.584 0.088 0.000 1.177 445 A CA 2.311 54.436 52.037 0.146 0.000 0.636 445 A CB -0.826 18.227 19.000 0.090 0.000 0.815 445 A HN 0.542 nan 8.150 nan 0.000 0.449 446 G N -0.505 108.331 108.800 0.060 0.000 2.418 446 G HA2 -0.186 3.793 3.960 0.031 0.000 0.217 446 G HA3 -0.186 3.793 3.960 0.031 0.000 0.217 446 G C 1.376 176.322 174.900 0.077 0.000 1.158 446 G CA 0.972 46.112 45.100 0.067 0.000 0.771 446 G HN 0.526 nan 8.290 nan 0.000 0.545 447 E N 0.506 120.767 120.200 0.102 0.000 2.072 447 E HA -0.066 4.303 4.350 0.031 0.000 0.191 447 E C 2.860 179.494 176.600 0.057 0.000 0.985 447 E CA 0.683 57.123 56.400 0.068 0.000 0.801 447 E CB -0.670 29.077 29.700 0.079 0.000 0.750 447 E HN 0.324 nan 8.360 nan 0.000 0.452 448 V N 1.552 121.537 119.914 0.118 0.000 2.295 448 V HA -0.212 3.927 4.120 0.031 0.000 0.246 448 V C 2.344 178.510 176.094 0.121 0.000 1.049 448 V CA 2.181 64.587 62.300 0.177 0.000 1.024 448 V CB -0.829 31.182 31.823 0.313 0.000 0.648 448 V HN 0.280 nan 8.190 nan 0.000 0.447 449 T N -0.988 113.603 114.554 0.062 0.000 2.904 449 T HA -0.219 4.149 4.350 0.031 0.000 0.267 449 T C 1.881 176.461 174.700 -0.199 0.000 1.059 449 T CA 1.421 63.444 62.100 -0.128 0.000 1.137 449 T CB -0.225 68.606 68.868 -0.061 0.000 0.879 449 T HN 0.389 nan 8.240 nan 0.000 0.467 450 Q N 1.392 121.121 119.800 -0.119 0.000 2.096 450 Q HA -0.108 4.251 4.340 0.031 0.000 0.208 450 Q C 2.378 178.257 176.000 -0.202 0.000 0.993 450 Q CA 2.292 58.015 55.803 -0.133 0.000 0.862 450 Q CB -1.023 27.663 28.738 -0.087 0.000 0.915 450 Q HN 0.534 nan 8.270 nan 0.000 0.416 451 G N -1.522 107.113 108.800 -0.275 0.000 2.403 451 G HA2 -0.194 3.784 3.960 0.031 0.000 0.216 451 G HA3 -0.194 3.784 3.960 0.031 0.000 0.216 451 G C 1.009 175.621 174.900 -0.481 0.000 1.154 451 G CA 0.568 45.443 45.100 -0.375 0.000 0.784 451 G HN 0.383 nan 8.290 nan 0.000 0.538 452 F N 1.846 121.516 119.950 -0.467 0.000 2.216 452 F HA 0.081 4.626 4.527 0.031 0.000 0.300 452 F C 2.942 178.454 175.800 -0.481 0.000 1.085 452 F CA 0.684 58.316 58.000 -0.614 0.000 1.326 452 F CB -0.276 37.941 39.000 -1.307 0.000 1.027 452 F HN 0.237 nan 8.300 nan 0.000 0.497 453 A N -0.036 122.622 122.820 -0.269 0.000 1.902 453 A HA -0.041 4.298 4.320 0.031 0.000 0.217 453 A C 2.390 179.897 177.584 -0.127 0.000 1.181 453 A CA 1.599 53.529 52.037 -0.178 0.000 0.623 453 A CB -1.196 17.713 19.000 -0.152 0.000 0.818 453 A HN 0.277 nan 8.150 nan 0.000 0.443 454 A N -0.580 122.153 122.820 -0.144 0.000 2.119 454 A HA 0.311 4.650 4.320 0.031 0.000 0.217 454 A C 2.278 179.805 177.584 -0.095 0.000 1.153 454 A CA 1.583 53.553 52.037 -0.111 0.000 0.692 454 A CB -0.600 18.328 19.000 -0.120 0.000 0.799 454 A HN 0.923 nan 8.150 nan 0.000 0.458 455 A N -0.327 122.429 122.820 -0.107 0.000 1.975 455 A HA 0.171 4.510 4.320 0.031 0.000 0.215 455 A C 1.992 179.564 177.584 -0.020 0.000 1.170 455 A CA 0.869 52.870 52.037 -0.060 0.000 0.656 455 A CB -0.380 18.596 19.000 -0.038 0.000 0.821 455 A HN 0.437 nan 8.150 nan 0.000 0.449 456 L N -0.621 120.588 121.223 -0.023 0.000 2.141 456 L HA -0.117 4.242 4.340 0.031 0.000 0.209 456 L C 2.197 179.067 176.870 -0.001 0.000 1.094 456 L CA 0.997 55.838 54.840 0.003 0.000 0.763 456 L CB -0.443 41.620 42.059 0.006 0.000 0.908 456 L HN 0.262 nan 8.230 nan 0.000 0.437 457 K N -0.376 120.013 120.400 -0.019 0.000 2.362 457 K HA -0.066 4.273 4.320 0.031 0.000 0.200 457 K C 1.713 178.306 176.600 -0.012 0.000 1.046 457 K CA 0.777 57.055 56.287 -0.015 0.000 0.952 457 K CB -0.128 32.354 32.500 -0.029 0.000 0.753 457 K HN 0.392 nan 8.250 nan 0.000 0.466 458 C N -0.052 119.239 119.300 -0.015 0.000 2.791 458 C HA 0.212 4.690 4.460 0.031 0.000 0.270 458 C C 1.280 176.269 174.990 -0.001 0.000 1.257 458 C CA 0.208 59.219 59.018 -0.012 0.000 1.699 458 C CB -0.566 27.160 27.740 -0.022 0.000 1.904 458 C HN 0.681 nan 8.230 nan 0.000 0.603 459 G N 1.128 109.932 108.800 0.007 0.000 2.142 459 G HA2 -0.225 3.754 3.960 0.031 0.000 0.225 459 G HA3 -0.225 3.754 3.960 0.031 0.000 0.225 459 G C 0.006 174.916 174.900 0.016 0.000 1.015 459 G CA 0.144 45.253 45.100 0.014 0.000 0.716 459 G HN 0.495 nan 8.290 nan 0.000 0.508 460 L N 2.025 123.260 121.223 0.020 0.000 2.653 460 L HA 0.453 4.811 4.340 0.031 0.000 0.288 460 L C 1.067 177.955 176.870 0.031 0.000 1.243 460 L CA 1.610 56.469 54.840 0.031 0.000 0.906 460 L CB 0.353 42.444 42.059 0.054 0.000 1.154 460 L HN 0.763 nan 8.230 nan 0.000 0.498 461 T N 1.100 115.669 114.554 0.025 0.000 2.908 461 T HA 0.386 4.755 4.350 0.031 0.000 0.290 461 T C 0.744 175.454 174.700 0.016 0.000 1.034 461 T CA -0.529 61.583 62.100 0.020 0.000 1.010 461 T CB 1.588 70.463 68.868 0.013 0.000 1.068 461 T HN 0.600 nan 8.240 nan 0.000 0.481 462 K N 1.271 121.677 120.400 0.012 0.000 2.160 462 K HA -0.092 4.247 4.320 0.031 0.000 0.206 462 K C 2.042 178.619 176.600 -0.039 0.000 1.047 462 K CA 1.724 57.992 56.287 -0.033 0.000 0.930 462 K CB -0.363 32.113 32.500 -0.042 0.000 0.720 462 K HN 0.694 nan 8.250 nan 0.000 0.450 463 K N 0.138 120.531 120.400 -0.012 0.000 1.985 463 K HA -0.183 4.156 4.320 0.031 0.000 0.210 463 K C 2.222 178.819 176.600 -0.006 0.000 1.047 463 K CA 1.948 58.229 56.287 -0.009 0.000 0.932 463 K CB -0.113 32.388 32.500 0.002 0.000 0.716 463 K HN 0.244 nan 8.250 nan 0.000 0.439 464 Q N 0.467 120.269 119.800 0.004 0.000 2.077 464 Q HA -0.219 4.140 4.340 0.031 0.000 0.206 464 Q C 2.133 178.145 176.000 0.019 0.000 0.989 464 Q CA 1.659 57.468 55.803 0.010 0.000 0.853 464 Q CB -0.234 28.512 28.738 0.013 0.000 0.907 464 Q HN 0.239 nan 8.270 nan 0.000 0.418 465 L N 1.300 122.540 121.223 0.028 0.000 2.042 465 L HA -0.214 4.145 4.340 0.031 0.000 0.210 465 L C 1.366 178.252 176.870 0.025 0.000 1.076 465 L CA 1.990 56.863 54.840 0.054 0.000 0.749 465 L CB -0.515 41.575 42.059 0.052 0.000 0.893 465 L HN 0.110 nan 8.230 nan 0.000 0.432 466 D N -1.010 119.380 120.400 -0.016 0.000 2.218 466 D HA -0.128 4.531 4.640 0.031 0.000 0.204 466 D C 2.188 178.482 176.300 -0.010 0.000 0.976 466 D CA 1.318 55.300 54.000 -0.030 0.000 0.853 466 D CB -0.030 40.741 40.800 -0.049 0.000 0.939 466 D HN 0.554 nan 8.370 nan 0.000 0.481 467 S N -0.931 114.768 115.700 -0.001 0.000 2.597 467 S HA 0.082 4.570 4.470 0.031 0.000 0.224 467 S C 0.495 175.099 174.600 0.007 0.000 0.955 467 S CA -0.420 57.780 58.200 0.001 0.000 0.933 467 S CB 0.102 63.301 63.200 -0.001 0.000 0.788 467 S HN -0.138 nan 8.310 nan 0.000 0.488 468 T N 3.847 118.413 114.554 0.019 0.000 2.837 468 T HA 0.474 4.842 4.350 0.031 0.000 0.285 468 T C -0.201 174.515 174.700 0.026 0.000 0.984 468 T CA -0.552 61.562 62.100 0.024 0.000 1.049 468 T CB 0.806 69.701 68.868 0.046 0.000 0.947 468 T HN 0.173 nan 8.240 nan 0.000 0.472 469 I N 3.163 123.742 120.570 0.015 0.000 2.371 469 I HA 0.289 4.478 4.170 0.031 0.000 0.290 469 I C 1.350 177.483 176.117 0.027 0.000 1.028 469 I CA -0.424 60.884 61.300 0.014 0.000 1.345 469 I CB 0.347 38.350 38.000 0.005 0.000 1.407 469 I HN 0.699 nan 8.210 nan 0.000 0.501 470 G N 6.753 115.573 108.800 0.032 0.000 2.667 470 G HA2 0.446 4.424 3.960 0.031 0.000 0.250 470 G HA3 0.446 4.424 3.960 0.031 0.000 0.250 470 G C -0.116 174.816 174.900 0.052 0.000 1.212 470 G CA -0.553 44.579 45.100 0.052 0.000 0.874 470 G HN 0.552 nan 8.290 nan 0.000 0.561 471 I N 0.215 120.823 120.570 0.064 0.000 2.336 471 I HA 0.227 4.415 4.170 0.031 0.000 0.292 471 I C -0.353 175.833 176.117 0.116 0.000 0.991 471 I CA -0.728 60.611 61.300 0.065 0.000 1.227 471 I CB 1.667 39.689 38.000 0.036 0.000 1.366 471 I HN 0.454 nan 8.210 nan 0.000 0.466 472 H N 7.618 126.687 119.070 -0.002 0.000 2.469 472 H HA 0.567 5.142 4.556 0.031 0.000 0.342 472 H C -2.417 172.910 175.328 -0.001 0.000 1.115 472 H CA -1.927 54.120 56.048 -0.003 0.000 1.204 472 H CB 1.683 31.444 29.762 -0.003 0.000 1.492 472 H HN 0.306 nan 8.280 nan 0.000 0.499 473 P HA 0.261 nan 4.420 nan 0.000 0.262 473 P C -1.509 175.714 177.300 -0.129 0.000 1.579 473 P CA -0.666 62.144 63.100 -0.483 0.000 1.111 473 P CB 0.783 31.983 31.700 -0.833 0.000 1.386 474 V N 0.129 120.035 119.914 -0.012 0.000 2.914 474 V HA 0.363 4.502 4.120 0.031 0.000 0.314 474 V C 1.187 177.279 176.094 -0.004 0.000 1.084 474 V CA -0.542 61.758 62.300 0.000 0.000 0.963 474 V CB 1.204 33.038 31.823 0.018 0.000 1.025 474 V HN 0.418 nan 8.190 nan 0.000 0.432 475 C N 2.361 121.655 119.300 -0.010 0.000 2.413 475 C HA -0.059 4.419 4.460 0.031 0.000 0.276 475 C C 3.094 177.950 174.990 -0.224 0.000 1.236 475 C CA 1.901 60.846 59.018 -0.120 0.000 1.735 475 C CB -1.521 26.255 27.740 0.059 0.000 2.031 475 C HN 1.161 nan 8.230 nan 0.000 0.474 476 A N 1.414 124.250 122.820 0.026 0.000 1.997 476 A HA -0.281 4.057 4.320 0.031 0.000 0.221 476 A C 2.064 179.774 177.584 0.211 0.000 1.172 476 A CA 2.164 54.341 52.037 0.234 0.000 0.645 476 A CB -0.817 18.364 19.000 0.303 0.000 0.813 476 A HN 0.867 nan 8.150 nan 0.000 0.454 477 E N -0.153 120.087 120.200 0.068 0.000 2.209 477 E HA -0.166 4.203 4.350 0.031 0.000 0.196 477 E C 1.647 178.225 176.600 -0.038 0.000 0.993 477 E CA 1.285 57.721 56.400 0.060 0.000 0.819 477 E CB -0.741 28.989 29.700 0.050 0.000 0.745 477 E HN 0.336 nan 8.360 nan 0.000 0.477 478 V N 0.490 120.252 119.914 -0.254 0.000 2.370 478 V HA -0.272 3.867 4.120 0.031 0.000 0.252 478 V C 1.711 177.575 176.094 -0.383 0.000 1.068 478 V CA 1.876 63.924 62.300 -0.420 0.000 1.061 478 V CB -0.625 30.705 31.823 -0.822 0.000 0.656 478 V HN 0.338 nan 8.190 nan 0.000 0.455 479 F N 0.204 120.043 119.950 -0.184 0.000 2.451 479 F HA -0.053 4.493 4.527 0.031 0.000 0.299 479 F C 2.477 178.221 175.800 -0.093 0.000 1.101 479 F CA 1.645 59.536 58.000 -0.183 0.000 1.436 479 F CB -0.874 37.962 39.000 -0.272 0.000 1.074 479 F HN 0.099 nan 8.300 nan 0.000 0.553 480 T N -1.347 113.279 114.554 0.120 0.000 3.055 480 T HA -0.062 4.307 4.350 0.031 0.000 0.265 480 T C 1.485 176.183 174.700 -0.002 0.000 1.111 480 T CA 1.662 63.812 62.100 0.085 0.000 1.118 480 T CB -0.230 68.691 68.868 0.089 0.000 0.909 480 T HN 0.319 nan 8.240 nan 0.000 0.501 481 T N -0.324 114.201 114.554 -0.048 0.000 3.442 481 T HA 0.449 4.818 4.350 0.031 0.000 0.295 481 T C 0.064 174.709 174.700 -0.093 0.000 1.007 481 T CA -0.449 61.610 62.100 -0.069 0.000 0.962 481 T CB -0.600 68.232 68.868 -0.061 0.000 1.187 481 T HN 0.104 nan 8.240 nan 0.000 0.490 482 L N 2.727 123.873 121.223 -0.127 0.000 2.418 482 L HA 0.361 4.719 4.340 0.031 0.000 0.274 482 L C 1.497 178.309 176.870 -0.096 0.000 1.135 482 L CA -0.147 54.623 54.840 -0.116 0.000 0.870 482 L CB 0.841 42.824 42.059 -0.127 0.000 1.154 482 L HN 0.525 nan 8.230 nan 0.000 0.462 483 S N 1.089 116.805 115.700 0.026 0.000 2.670 483 S HA 0.129 4.617 4.470 0.031 0.000 0.241 483 S C 0.453 175.187 174.600 0.223 0.000 1.077 483 S CA -0.356 57.907 58.200 0.105 0.000 0.899 483 S CB 0.255 63.484 63.200 0.048 0.000 0.835 483 S HN 0.216 nan 8.310 nan 0.000 0.481 484 V N 4.412 124.429 119.914 0.172 0.000 2.572 484 V HA 0.400 4.538 4.120 0.031 0.000 0.291 484 V C 0.880 177.114 176.094 0.233 0.000 1.039 484 V CA 0.184 62.585 62.300 0.167 0.000 1.055 484 V CB 0.471 32.354 31.823 0.100 0.000 0.969 484 V HN 0.711 nan 8.190 nan 0.000 0.482 485 T N 1.650 116.268 114.554 0.106 0.000 2.936 485 T HA 0.422 4.790 4.350 0.031 0.000 0.282 485 T C 0.774 175.484 174.700 0.017 0.000 1.003 485 T CA -0.784 61.286 62.100 -0.051 0.000 1.005 485 T CB 1.746 70.466 68.868 -0.247 0.000 1.097 485 T HN 0.509 nan 8.240 nan 0.000 0.532 486 K N -0.389 119.925 120.400 -0.143 0.000 2.116 486 K HA 0.045 4.383 4.320 0.031 0.000 0.203 486 K C 2.539 179.100 176.600 -0.066 0.000 1.052 486 K CA 0.524 56.722 56.287 -0.148 0.000 0.952 486 K CB -0.089 32.226 32.500 -0.308 0.000 0.729 486 K HN 0.568 nan 8.250 nan 0.000 0.446 487 R N 0.882 121.326 120.500 -0.095 0.000 2.105 487 R HA -0.138 4.221 4.340 0.031 0.000 0.239 487 R C 2.173 178.454 176.300 -0.032 0.000 1.135 487 R CA 2.051 58.112 56.100 -0.065 0.000 0.967 487 R CB -0.254 29.996 30.300 -0.083 0.000 0.861 487 R HN 0.189 nan 8.270 nan 0.000 0.442 488 S N -1.152 114.535 115.700 -0.021 0.000 2.469 488 S HA -0.007 4.481 4.470 0.031 0.000 0.238 488 S C 1.606 176.218 174.600 0.020 0.000 0.998 488 S CA 1.067 59.269 58.200 0.003 0.000 0.957 488 S CB -0.254 62.955 63.200 0.015 0.000 0.764 488 S HN 0.674 nan 8.310 nan 0.000 0.514 489 G N 0.791 109.611 108.800 0.032 0.000 2.212 489 G HA2 -0.188 3.791 3.960 0.031 0.000 0.266 489 G HA3 -0.188 3.791 3.960 0.031 0.000 0.266 489 G C 0.329 175.262 174.900 0.055 0.000 0.978 489 G CA 0.226 45.351 45.100 0.041 0.000 0.632 489 G HN 1.479 nan 8.290 nan 0.000 0.537 490 A N 0.224 123.080 122.820 0.061 0.000 2.498 490 A HA 0.636 4.974 4.320 0.031 0.000 0.239 490 A C 0.973 178.597 177.584 0.068 0.000 1.068 490 A CA 1.230 53.300 52.037 0.055 0.000 0.766 490 A CB 0.483 19.514 19.000 0.051 0.000 1.003 490 A HN 1.639 nan 8.150 nan 0.000 0.497 491 S N 0.046 115.773 115.700 0.045 0.000 2.576 491 S HA 0.328 4.816 4.470 0.031 0.000 0.276 491 S C 0.586 175.202 174.600 0.028 0.000 1.339 491 S CA 0.153 58.376 58.200 0.039 0.000 1.039 491 S CB -0.102 63.107 63.200 0.016 0.000 0.902 491 S HN 1.026 nan 8.310 nan 0.000 0.516 492 I N 2.641 123.231 120.570 0.032 0.000 4.225 492 I HA 0.423 4.612 4.170 0.031 0.000 0.327 492 I C 0.271 176.450 176.117 0.103 0.000 1.422 492 I CA -0.111 61.209 61.300 0.032 0.000 1.150 492 I CB -0.673 37.261 38.000 -0.111 0.000 1.192 492 I HN 0.400 nan 8.210 nan 0.000 0.440 493 L N 0.000 121.222 121.223 -0.002 0.000 2.949 493 L HA 0.000 4.359 4.340 0.031 0.000 0.249 493 L CA 0.000 54.746 54.840 -0.157 0.000 0.813 493 L CB 0.000 41.949 42.059 -0.183 0.000 0.961 493 L HN 0.000 nan 8.230 nan 0.000 0.502