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 3a1i_1_A DATA FIRST_RESID 2 DATA SEQUENCE ATIRPDDKAI DAAARHYGIT LDKTARLEWP ALIDGALGSY DVVDQLYADE DATA SEQUENCE ATPPTTSREH AVPSASENPL SAWYVTTSIP PTSDGVLTGR RVAIKDNVTV DATA SEQUENCE AGVPMMNGSR TVEGFTPSRD ATVVTRLLAA GATVAGKAVC EDLCFSGSSF DATA SEQUENCE TPASGPVRNP WDRQREAGGS SGGSAALVAN GDVDFAIGGD QGGAIRIPAA DATA SEQUENCE FCGVVGHKPT FGLVPYTGAF PIERTIDHLG PITRTVHDAA LMLSVIAGRD DATA SEQUENCE GNDPRQADSV EAGDYLSTLD SDVDGLRIGI VREGFGHAVS QPEVDDAVRA DATA SEQUENCE AAHSLTEIGC TVEEVNIPWH LHAFHIWNVI ATDGGAYQML DGNGYGMNAE DATA SEQUENCE GLYDPELMAH FASRRIQHAD ALSETVKLVA LTGHHGITTL GGASYGKARN DATA SEQUENCE LVPLARAAYD TALRQFDVLV MPTLPYVASE LPAKDVDRAT FITKALGMIA DATA SEQUENCE NTAPFDVTGH PSLSVPAGLV NGLPVGMMIT GRHFDDATVL RVGRAFEKLR DATA SEQUENCE GAFPTPAE 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.603 177.584 0.031 0.000 1.274 2 A CA 0.000 52.057 52.037 0.034 0.000 0.836 2 A CB 0.000 19.015 19.000 0.025 0.000 0.831 3 T N 2.251 116.827 114.554 0.036 0.000 2.901 3 T HA 0.403 4.766 4.350 0.023 0.000 0.301 3 T C 0.719 175.415 174.700 -0.007 0.000 1.012 3 T CA 0.273 62.389 62.100 0.026 0.000 1.135 3 T CB -0.087 68.810 68.868 0.049 0.000 0.936 3 T HN 0.421 nan 8.240 nan 0.000 0.539 4 I N 3.130 123.692 120.570 -0.014 0.000 2.683 4 I HA 0.064 4.248 4.170 0.023 0.000 0.286 4 I C 0.910 176.995 176.117 -0.054 0.000 1.175 4 I CA 0.053 61.338 61.300 -0.025 0.000 1.429 4 I CB 0.350 38.338 38.000 -0.021 0.000 1.371 4 I HN 0.395 nan 8.210 nan 0.000 0.569 5 R N 7.304 127.776 120.500 -0.046 0.000 2.573 5 R HA 0.515 4.869 4.340 0.023 0.000 0.272 5 R C -2.193 174.077 176.300 -0.051 0.000 1.009 5 R CA -1.401 54.663 56.100 -0.059 0.000 1.059 5 R CB 0.292 30.569 30.300 -0.038 0.000 1.112 5 R HN 0.404 nan 8.270 nan 0.000 0.517 6 P HA 0.237 nan 4.420 nan 0.000 0.282 6 P C -1.262 176.023 177.300 -0.024 0.000 1.259 6 P CA -0.639 62.434 63.100 -0.045 0.000 0.826 6 P CB 1.035 32.700 31.700 -0.059 0.000 1.064 7 D N -0.454 119.935 120.400 -0.018 0.000 2.432 7 D HA 0.079 4.733 4.640 0.023 0.000 0.258 7 D C 0.605 176.906 176.300 0.002 0.000 1.146 7 D CA -0.432 53.565 54.000 -0.006 0.000 1.015 7 D CB 0.197 40.993 40.800 -0.006 0.000 1.107 7 D HN 0.175 nan 8.370 nan 0.000 0.529 8 D N -0.481 119.926 120.400 0.012 0.000 2.182 8 D HA -0.185 4.469 4.640 0.023 0.000 0.201 8 D C 1.554 177.864 176.300 0.016 0.000 0.986 8 D CA 1.285 55.299 54.000 0.023 0.000 0.847 8 D CB 0.082 40.898 40.800 0.028 0.000 0.942 8 D HN 0.465 nan 8.370 nan 0.000 0.467 9 K N 0.853 121.257 120.400 0.006 0.000 2.057 9 K HA -0.064 4.270 4.320 0.023 0.000 0.206 9 K C 1.995 178.592 176.600 -0.004 0.000 1.050 9 K CA 1.237 57.525 56.287 0.002 0.000 0.935 9 K CB -0.067 32.430 32.500 -0.004 0.000 0.715 9 K HN 0.006 nan 8.250 nan 0.000 0.439 10 A N 0.796 123.609 122.820 -0.012 0.000 1.898 10 A HA -0.093 4.241 4.320 0.023 0.000 0.216 10 A C 2.119 179.690 177.584 -0.021 0.000 1.181 10 A CA 1.425 53.448 52.037 -0.023 0.000 0.620 10 A CB -0.601 18.380 19.000 -0.033 0.000 0.819 10 A HN 0.336 nan 8.150 nan 0.000 0.442 11 I N -0.294 120.267 120.570 -0.015 0.000 2.226 11 I HA -0.261 3.923 4.170 0.023 0.000 0.245 11 I C 2.272 178.384 176.117 -0.008 0.000 1.100 11 I CA 1.990 63.276 61.300 -0.022 0.000 1.374 11 I CB -0.373 37.630 38.000 0.005 0.000 1.057 11 I HN 0.423 nan 8.210 nan 0.000 0.413 12 D N 0.819 121.227 120.400 0.013 0.000 2.117 12 D HA -0.141 4.512 4.640 0.023 0.000 0.198 12 D C 2.187 178.501 176.300 0.023 0.000 0.982 12 D CA 1.358 55.373 54.000 0.026 0.000 0.828 12 D CB 0.100 40.916 40.800 0.028 0.000 0.967 12 D HN 0.277 nan 8.370 nan 0.000 0.464 13 A N 0.482 123.309 122.820 0.011 0.000 1.902 13 A HA 0.022 4.355 4.320 0.023 0.000 0.217 13 A C 2.360 179.961 177.584 0.028 0.000 1.181 13 A CA 2.074 54.116 52.037 0.009 0.000 0.623 13 A CB -1.070 17.922 19.000 -0.013 0.000 0.818 13 A HN 0.333 nan 8.150 nan 0.000 0.443 14 A N -0.077 122.759 122.820 0.027 0.000 1.877 14 A HA 0.151 4.485 4.320 0.023 0.000 0.216 14 A C 2.532 180.235 177.584 0.199 0.000 1.186 14 A CA 2.169 54.258 52.037 0.087 0.000 0.620 14 A CB -1.096 17.934 19.000 0.051 0.000 0.822 14 A HN 1.075 nan 8.150 nan 0.000 0.443 15 A N -0.202 122.681 122.820 0.104 0.000 1.902 15 A HA -0.187 4.147 4.320 0.023 0.000 0.217 15 A C 2.243 179.900 177.584 0.122 0.000 1.181 15 A CA 1.593 53.694 52.037 0.107 0.000 0.623 15 A CB -0.497 18.525 19.000 0.036 0.000 0.818 15 A HN 0.552 nan 8.150 nan 0.000 0.443 16 R N -1.716 118.831 120.500 0.077 0.000 2.120 16 R HA -0.155 4.199 4.340 0.023 0.000 0.234 16 R C 2.175 178.486 176.300 0.018 0.000 1.123 16 R CA 1.470 57.597 56.100 0.045 0.000 0.975 16 R CB -0.534 29.784 30.300 0.031 0.000 0.866 16 R HN 0.835 nan 8.270 nan 0.000 0.446 17 H N -0.213 118.803 119.070 -0.091 0.000 2.387 17 H HA -0.160 4.386 4.556 -0.017 0.000 0.299 17 H C 0.806 175.923 175.328 -0.351 0.000 1.099 17 H CA 1.696 57.590 56.048 -0.256 0.000 1.315 17 H CB -0.037 29.474 29.762 -0.417 0.000 1.380 17 H HN 0.238 nan 8.280 nan 0.000 0.513 18 Y N -1.109 119.114 120.300 -0.129 0.000 2.457 18 Y HA 0.252 4.833 4.550 0.051 0.000 0.263 18 Y C 1.886 177.722 175.900 -0.107 0.000 1.164 18 Y CA 0.226 58.226 58.100 -0.166 0.000 1.274 18 Y CB 0.619 39.040 38.460 -0.065 0.000 1.097 18 Y HN 0.421 nan 8.280 nan 0.000 0.523 19 G N 0.973 109.786 108.800 0.021 0.000 2.143 19 G HA2 -0.296 3.678 3.960 0.023 0.000 0.249 19 G HA3 -0.296 3.678 3.960 0.023 0.000 0.249 19 G C 0.054 174.983 174.900 0.049 0.000 0.981 19 G CA 0.007 45.118 45.100 0.018 0.000 0.665 19 G HN 0.323 nan 8.290 nan 0.000 0.528 20 I N 2.073 122.691 120.570 0.080 0.000 2.395 20 I HA 0.407 4.591 4.170 0.023 0.000 0.289 20 I C 0.896 177.055 176.117 0.069 0.000 1.023 20 I CA 0.163 61.507 61.300 0.073 0.000 1.350 20 I CB 1.345 39.386 38.000 0.068 0.000 1.409 20 I HN 0.234 nan 8.210 nan 0.000 0.507 21 T N 5.261 119.856 114.554 0.069 0.000 2.772 21 T HA 0.612 4.976 4.350 0.023 0.000 0.288 21 T C -0.461 174.294 174.700 0.091 0.000 0.994 21 T CA -0.814 61.326 62.100 0.067 0.000 0.951 21 T CB 0.697 69.595 68.868 0.050 0.000 0.933 21 T HN 0.306 nan 8.240 nan 0.000 0.447 22 L N 3.806 125.091 121.223 0.105 0.000 2.292 22 L HA 0.438 4.791 4.340 0.023 0.000 0.284 22 L C 0.592 177.518 176.870 0.093 0.000 1.065 22 L CA -0.993 53.931 54.840 0.140 0.000 0.806 22 L CB 0.524 42.693 42.059 0.183 0.000 1.175 22 L HN 0.759 nan 8.230 nan 0.000 0.431 23 D N 2.495 122.941 120.400 0.077 0.000 2.342 23 D HA 0.120 4.774 4.640 0.023 0.000 0.284 23 D C 0.714 177.038 176.300 0.039 0.000 1.198 23 D CA -0.358 53.670 54.000 0.045 0.000 1.061 23 D CB 0.481 41.297 40.800 0.027 0.000 1.130 23 D HN 0.242 nan 8.370 nan 0.000 0.541 24 K N -1.008 119.404 120.400 0.020 0.000 2.186 24 K HA -0.035 4.298 4.320 0.023 0.000 0.202 24 K C 1.985 178.587 176.600 0.003 0.000 1.052 24 K CA 1.115 57.411 56.287 0.015 0.000 0.965 24 K CB -1.054 31.451 32.500 0.007 0.000 0.746 24 K HN 0.535 nan 8.250 nan 0.000 0.457 25 T N 0.403 114.948 114.554 -0.014 0.000 3.014 25 T HA 0.118 4.481 4.350 0.023 0.000 0.263 25 T C 1.944 176.599 174.700 -0.075 0.000 1.078 25 T CA 0.996 63.070 62.100 -0.043 0.000 1.135 25 T CB -0.082 68.753 68.868 -0.056 0.000 0.895 25 T HN 0.194 nan 8.240 nan 0.000 0.480 26 A N 1.820 124.608 122.820 -0.054 0.000 1.873 26 A HA 0.043 4.377 4.320 0.023 0.000 0.215 26 A C 2.436 180.045 177.584 0.041 0.000 1.186 26 A CA 1.250 53.234 52.037 -0.088 0.000 0.616 26 A CB -0.592 18.454 19.000 0.077 0.000 0.823 26 A HN 0.582 nan 8.150 nan 0.000 0.442 27 R N -1.285 119.276 120.500 0.102 0.000 2.241 27 R HA -0.051 4.303 4.340 0.023 0.000 0.224 27 R C 1.650 177.997 176.300 0.079 0.000 1.101 27 R CA 1.039 57.215 56.100 0.125 0.000 0.995 27 R CB -0.290 30.061 30.300 0.084 0.000 0.870 27 R HN 0.428 nan 8.270 nan 0.000 0.463 28 L N 0.356 121.592 121.223 0.023 0.000 2.298 28 L HA 0.022 4.375 4.340 0.023 0.000 0.209 28 L C 1.576 178.434 176.870 -0.021 0.000 1.084 28 L CA 1.535 56.376 54.840 0.001 0.000 0.816 28 L CB 0.182 42.230 42.059 -0.018 0.000 0.967 28 L HN 0.056 nan 8.230 nan 0.000 0.460 29 E N -2.111 118.038 120.200 -0.086 0.000 2.127 29 E HA -0.148 4.216 4.350 0.023 0.000 0.191 29 E C 2.000 178.552 176.600 -0.079 0.000 0.964 29 E CA 0.720 57.033 56.400 -0.146 0.000 0.832 29 E CB -0.288 29.233 29.700 -0.299 0.000 0.790 29 E HN 0.434 nan 8.360 nan 0.000 0.465 30 W N 1.568 122.863 121.300 -0.008 0.000 2.290 30 W HA -0.182 4.501 4.660 0.039 0.000 0.318 30 W C -0.710 175.800 176.519 -0.015 0.000 1.248 30 W CA 0.881 58.220 57.345 -0.011 0.000 1.263 30 W CB -1.382 28.073 29.460 -0.008 0.000 1.147 30 W HN 0.197 nan 8.180 nan 0.000 0.494 31 P HA -0.315 nan 4.420 nan 0.000 0.216 31 P C 1.463 178.819 177.300 0.092 0.000 1.167 31 P CA 3.227 66.401 63.100 0.124 0.000 0.914 31 P CB -0.475 31.272 31.700 0.079 0.000 0.793 32 A N -1.228 121.635 122.820 0.071 0.000 1.933 32 A HA -0.166 4.168 4.320 0.023 0.000 0.218 32 A C 2.232 179.855 177.584 0.064 0.000 1.175 32 A CA 1.502 53.566 52.037 0.046 0.000 0.628 32 A CB -1.607 17.404 19.000 0.018 0.000 0.814 32 A HN 0.114 nan 8.150 nan 0.000 0.444 33 L N -0.747 120.540 121.223 0.107 0.000 2.044 33 L HA -0.119 4.234 4.340 0.023 0.000 0.205 33 L C 2.457 179.420 176.870 0.155 0.000 1.075 33 L CA 1.127 56.056 54.840 0.147 0.000 0.747 33 L CB -0.515 41.687 42.059 0.238 0.000 0.903 33 L HN 0.341 nan 8.230 nan 0.000 0.435 34 I N 0.159 120.830 120.570 0.168 0.000 2.286 34 I HA -0.303 3.880 4.170 0.023 0.000 0.248 34 I C 2.199 178.322 176.117 0.010 0.000 1.115 34 I CA 1.545 62.882 61.300 0.062 0.000 1.392 34 I CB -0.336 37.677 38.000 0.021 0.000 1.065 34 I HN 0.319 nan 8.210 nan 0.000 0.418 35 D N 0.936 121.352 120.400 0.026 0.000 2.144 35 D HA -0.148 4.506 4.640 0.023 0.000 0.199 35 D C 2.205 178.516 176.300 0.018 0.000 0.984 35 D CA 1.563 55.567 54.000 0.006 0.000 0.834 35 D CB -0.157 40.652 40.800 0.016 0.000 0.955 35 D HN 0.268 nan 8.370 nan 0.000 0.465 36 G N 0.025 108.848 108.800 0.038 0.000 2.418 36 G HA2 -0.175 3.799 3.960 0.023 0.000 0.217 36 G HA3 -0.175 3.799 3.960 0.023 0.000 0.217 36 G C 1.727 176.661 174.900 0.056 0.000 1.158 36 G CA 1.026 46.153 45.100 0.044 0.000 0.771 36 G HN 0.418 nan 8.290 nan 0.000 0.545 37 A N 0.650 123.505 122.820 0.059 0.000 1.902 37 A HA 0.103 4.437 4.320 0.023 0.000 0.217 37 A C 2.328 179.980 177.584 0.113 0.000 1.181 37 A CA 1.105 53.192 52.037 0.083 0.000 0.623 37 A CB -0.421 18.618 19.000 0.065 0.000 0.818 37 A HN 0.347 nan 8.150 nan 0.000 0.443 38 L N -0.281 120.942 121.223 0.000 0.000 2.549 38 L HA -0.089 4.264 4.340 0.023 0.000 0.229 38 L C 2.545 179.489 176.870 0.123 0.000 1.158 38 L CA 0.418 55.228 54.840 -0.049 0.000 0.842 38 L CB -0.572 41.377 42.059 -0.183 0.000 0.952 38 L HN 0.513 nan 8.230 nan 0.000 0.452 39 G N -0.810 108.052 108.800 0.104 0.000 2.432 39 G HA2 -0.235 3.739 3.960 0.023 0.000 0.219 39 G HA3 -0.235 3.739 3.960 0.023 0.000 0.219 39 G C 1.724 176.695 174.900 0.118 0.000 1.135 39 G CA 0.902 46.058 45.100 0.092 0.000 0.767 39 G HN 0.360 nan 8.290 nan 0.000 0.550 40 S N -0.175 115.622 115.700 0.162 0.000 2.406 40 S HA -0.025 4.459 4.470 0.023 0.000 0.228 40 S C 2.021 176.669 174.600 0.080 0.000 1.020 40 S CA 0.674 58.933 58.200 0.097 0.000 0.965 40 S CB -0.323 62.911 63.200 0.057 0.000 0.798 40 S HN 0.477 nan 8.310 nan 0.000 0.488 41 Y N 2.329 122.624 120.300 -0.009 0.000 2.242 41 Y HA -0.085 4.475 4.550 0.016 0.000 0.291 41 Y C 2.260 178.155 175.900 -0.009 0.000 1.137 41 Y CA 0.586 58.675 58.100 -0.018 0.000 1.181 41 Y CB -0.581 37.866 38.460 -0.023 0.000 0.989 41 Y HN 0.196 nan 8.280 nan 0.000 0.527 42 D N -0.488 120.012 120.400 0.167 0.000 2.117 42 D HA -0.156 4.498 4.640 0.023 0.000 0.197 42 D C 2.376 178.717 176.300 0.067 0.000 0.987 42 D CA 1.410 55.467 54.000 0.095 0.000 0.829 42 D CB -0.461 40.382 40.800 0.072 0.000 0.961 42 D HN 0.171 nan 8.370 nan 0.000 0.460 43 V N 0.806 120.754 119.914 0.056 0.000 2.343 43 V HA -0.187 3.947 4.120 0.023 0.000 0.247 43 V C 2.672 178.784 176.094 0.030 0.000 1.051 43 V CA 0.932 63.253 62.300 0.036 0.000 1.036 43 V CB -0.352 31.485 31.823 0.024 0.000 0.654 43 V HN 0.048 nan 8.190 nan 0.000 0.451 44 V N 0.023 119.942 119.914 0.008 0.000 2.343 44 V HA -0.255 3.879 4.120 0.023 0.000 0.247 44 V C 2.307 178.431 176.094 0.050 0.000 1.051 44 V CA 2.155 64.452 62.300 -0.004 0.000 1.036 44 V CB -0.654 31.112 31.823 -0.096 0.000 0.654 44 V HN 0.542 nan 8.190 nan 0.000 0.451 45 D N -0.587 119.842 120.400 0.049 0.000 2.104 45 D HA -0.206 4.448 4.640 0.023 0.000 0.194 45 D C 2.204 178.573 176.300 0.115 0.000 0.994 45 D CA 1.561 55.605 54.000 0.074 0.000 0.830 45 D CB -0.170 40.667 40.800 0.063 0.000 0.959 45 D HN 0.407 nan 8.370 nan 0.000 0.452 46 Q N 0.294 120.143 119.800 0.082 0.000 2.050 46 Q HA -0.032 4.321 4.340 0.023 0.000 0.202 46 Q C 2.298 178.341 176.000 0.071 0.000 0.980 46 Q CA 1.085 56.930 55.803 0.071 0.000 0.840 46 Q CB -0.426 28.341 28.738 0.048 0.000 0.898 46 Q HN 0.296 nan 8.270 nan 0.000 0.424 47 L N -0.794 120.470 121.223 0.068 0.000 2.046 47 L HA -0.195 4.159 4.340 0.023 0.000 0.208 47 L C 2.265 179.174 176.870 0.066 0.000 1.077 47 L CA 1.574 56.445 54.840 0.051 0.000 0.747 47 L CB -0.657 41.426 42.059 0.041 0.000 0.896 47 L HN 0.332 nan 8.230 nan 0.000 0.432 48 Y N 0.655 120.950 120.300 -0.009 0.000 2.224 48 Y HA -0.259 4.307 4.550 0.027 0.000 0.289 48 Y C 2.477 178.378 175.900 0.002 0.000 1.146 48 Y CA 1.362 59.457 58.100 -0.008 0.000 1.182 48 Y CB -0.121 38.332 38.460 -0.011 0.000 0.983 48 Y HN 0.105 nan 8.280 nan 0.000 0.524 49 A N -0.284 122.619 122.820 0.138 0.000 1.930 49 A HA -0.132 4.202 4.320 0.023 0.000 0.217 49 A C 1.702 179.273 177.584 -0.021 0.000 1.175 49 A CA 1.811 53.888 52.037 0.066 0.000 0.627 49 A CB -0.509 18.553 19.000 0.102 0.000 0.815 49 A HN 0.529 nan 8.150 nan 0.000 0.443 50 D N -1.645 118.746 120.400 -0.016 0.000 2.348 50 D HA 0.055 4.709 4.640 0.023 0.000 0.211 50 D C 1.380 177.645 176.300 -0.058 0.000 0.998 50 D CA 1.002 54.985 54.000 -0.027 0.000 0.873 50 D CB 0.386 41.182 40.800 -0.007 0.000 0.925 50 D HN 0.688 nan 8.370 nan 0.000 0.524 51 E N -0.968 119.172 120.200 -0.100 0.000 2.576 51 E HA 0.260 4.624 4.350 0.023 0.000 0.214 51 E C 0.481 176.975 176.600 -0.177 0.000 0.859 51 E CA 0.023 56.358 56.400 -0.109 0.000 1.399 51 E CB 0.861 30.522 29.700 -0.065 0.000 1.374 51 E HN 0.022 nan 8.360 nan 0.000 0.718 52 A N 0.593 123.208 122.820 -0.342 0.000 2.631 52 A HA 0.311 4.645 4.320 0.023 0.000 0.294 52 A C -0.072 177.081 177.584 -0.719 0.000 1.156 52 A CA -0.291 51.472 52.037 -0.458 0.000 0.963 52 A CB 0.331 19.088 19.000 -0.405 0.000 1.202 52 A HN 0.037 nan 8.150 nan 0.000 0.523 53 T N 4.249 118.495 114.554 -0.514 0.000 2.727 53 T HA 0.411 4.775 4.350 0.023 0.000 0.298 53 T C -2.325 172.284 174.700 -0.151 0.000 0.942 53 T CA -0.785 61.107 62.100 -0.346 0.000 0.997 53 T CB 0.796 69.557 68.868 -0.177 0.000 0.917 53 T HN 0.367 nan 8.240 nan 0.000 0.487 54 P HA 0.194 nan 4.420 nan 0.000 0.266 54 P C -2.492 174.797 177.300 -0.019 0.000 1.195 54 P CA -1.054 62.027 63.100 -0.032 0.000 0.768 54 P CB -0.194 31.512 31.700 0.010 0.000 0.838 55 P HA 0.053 nan 4.420 nan 0.000 0.271 55 P C 0.318 177.614 177.300 -0.006 0.000 1.238 55 P CA 0.098 63.190 63.100 -0.013 0.000 0.794 55 P CB 0.168 31.860 31.700 -0.012 0.000 0.959 56 T N 0.024 114.575 114.554 -0.005 0.000 2.874 56 T HA 0.441 4.805 4.350 0.023 0.000 0.281 56 T C -0.379 174.317 174.700 -0.007 0.000 0.994 56 T CA -0.025 62.072 62.100 -0.005 0.000 1.015 56 T CB 0.043 68.910 68.868 -0.001 0.000 1.028 56 T HN 0.331 nan 8.240 nan 0.000 0.523 57 T N 1.957 116.504 114.554 -0.011 0.000 2.909 57 T HA 0.547 4.910 4.350 0.023 0.000 0.299 57 T C -0.936 173.760 174.700 -0.008 0.000 1.073 57 T CA -0.818 61.276 62.100 -0.011 0.000 0.999 57 T CB 1.516 70.375 68.868 -0.016 0.000 1.098 57 T HN 0.603 nan 8.240 nan 0.000 0.477 58 S N 2.490 118.188 115.700 -0.004 0.000 2.395 58 S HA 0.623 5.106 4.470 0.023 0.000 0.207 58 S C -0.492 174.110 174.600 0.003 0.000 1.454 58 S CA -0.990 57.210 58.200 0.000 0.000 1.211 58 S CB 0.401 63.600 63.200 -0.002 0.000 1.093 58 S HN 0.584 nan 8.310 nan 0.000 0.472 59 R N 1.238 121.746 120.500 0.012 0.000 2.803 59 R HA 0.563 4.916 4.340 0.023 0.000 0.276 59 R C -0.570 175.754 176.300 0.041 0.000 0.978 59 R CA -0.779 55.332 56.100 0.017 0.000 0.939 59 R CB 1.803 32.112 30.300 0.015 0.000 1.179 59 R HN 0.606 nan 8.270 nan 0.000 0.472 60 E N 2.154 122.365 120.200 0.018 0.000 2.250 60 E HA 0.271 4.634 4.350 0.023 0.000 0.269 60 E C -0.687 175.931 176.600 0.030 0.000 1.018 60 E CA -0.677 55.716 56.400 -0.011 0.000 0.873 60 E CB 1.379 31.041 29.700 -0.064 0.000 1.134 60 E HN 0.558 nan 8.360 nan 0.000 0.403 61 H N -1.625 117.390 119.070 -0.091 0.000 3.014 61 H HA 0.779 5.350 4.556 0.024 0.000 0.337 61 H C -1.848 173.399 175.328 -0.134 0.000 1.320 61 H CA -1.164 54.810 56.048 -0.123 0.000 1.128 61 H CB 1.264 30.950 29.762 -0.127 0.000 1.862 61 H HN 0.547 nan 8.280 nan 0.000 0.536 62 A N 1.055 123.787 122.820 -0.147 0.000 2.574 62 A HA 0.502 4.836 4.320 0.023 0.000 0.297 62 A C -1.246 176.264 177.584 -0.123 0.000 1.062 62 A CA -0.582 51.342 52.037 -0.188 0.000 0.686 62 A CB 1.866 20.757 19.000 -0.182 0.000 1.285 62 A HN 0.390 nan 8.150 nan 0.000 0.403 63 V N 4.186 124.036 119.914 -0.106 0.000 2.368 63 V HA 0.341 4.474 4.120 0.023 0.000 0.266 63 V C -1.683 174.365 176.094 -0.076 0.000 1.045 63 V CA -0.967 61.277 62.300 -0.092 0.000 0.899 63 V CB 0.592 32.378 31.823 -0.062 0.000 1.006 63 V HN 0.834 nan 8.190 nan 0.000 0.470 64 P HA 0.117 nan 4.420 nan 0.000 0.269 64 P C 0.007 177.306 177.300 -0.002 0.000 1.215 64 P CA -0.040 63.026 63.100 -0.056 0.000 0.780 64 P CB 0.757 32.422 31.700 -0.058 0.000 0.898 65 S N 0.673 116.373 115.700 -0.000 0.000 2.603 65 S HA 0.341 4.824 4.470 0.023 0.000 0.268 65 S C 1.586 176.210 174.600 0.040 0.000 1.317 65 S CA -0.143 58.066 58.200 0.016 0.000 1.012 65 S CB 0.708 63.912 63.200 0.007 0.000 0.926 65 S HN 0.577 nan 8.310 nan 0.000 0.539 66 A N 2.139 124.986 122.820 0.044 0.000 2.042 66 A HA -0.101 4.233 4.320 0.023 0.000 0.222 66 A C 2.271 179.888 177.584 0.054 0.000 1.167 66 A CA 2.163 54.233 52.037 0.055 0.000 0.649 66 A CB -1.523 17.505 19.000 0.046 0.000 0.809 66 A HN 0.868 nan 8.150 nan 0.000 0.457 67 S N 0.171 115.895 115.700 0.041 0.000 2.371 67 S HA -0.124 4.359 4.470 0.023 0.000 0.224 67 S C 1.553 176.183 174.600 0.050 0.000 1.029 67 S CA 1.246 59.469 58.200 0.038 0.000 0.978 67 S CB -0.297 62.917 63.200 0.024 0.000 0.833 67 S HN 0.918 nan 8.310 nan 0.000 0.466 68 E N 0.862 121.094 120.200 0.053 0.000 2.437 68 E HA 0.139 4.503 4.350 0.023 0.000 0.189 68 E C 0.045 176.733 176.600 0.145 0.000 1.054 68 E CA 0.028 56.471 56.400 0.071 0.000 0.874 68 E CB -0.227 29.488 29.700 0.025 0.000 1.011 68 E HN 0.251 nan 8.360 nan 0.000 0.474 69 N N 1.195 119.983 118.700 0.148 0.000 2.646 69 N HA 0.114 4.868 4.740 0.023 0.000 0.296 69 N C -1.834 173.756 175.510 0.134 0.000 1.886 69 N CA -1.857 51.321 53.050 0.214 0.000 0.855 69 N CB 0.893 39.508 38.487 0.213 0.000 1.336 69 N HN -0.086 nan 8.380 nan 0.000 0.496 70 P HA -0.154 nan 4.420 nan 0.000 0.217 70 P C 0.726 178.057 177.300 0.052 0.000 1.148 70 P CA 1.165 64.303 63.100 0.064 0.000 0.828 70 P CB 0.451 32.180 31.700 0.048 0.000 0.783 71 L N -1.763 119.488 121.223 0.047 0.000 2.640 71 L HA 0.215 4.569 4.340 0.023 0.000 0.230 71 L C 0.789 177.683 176.870 0.040 0.000 1.123 71 L CA -0.002 54.855 54.840 0.029 0.000 0.900 71 L CB -0.460 41.598 42.059 -0.002 0.000 1.146 71 L HN -0.166 nan 8.230 nan 0.000 0.484 72 S N 0.230 115.973 115.700 0.072 0.000 3.561 72 S HA -0.273 4.211 4.470 0.023 0.000 0.318 72 S C 1.400 176.048 174.600 0.079 0.000 1.181 72 S CA 0.697 58.954 58.200 0.096 0.000 0.916 72 S CB -1.056 62.195 63.200 0.085 0.000 0.966 72 S HN 0.642 nan 8.310 nan 0.000 0.550 73 A N -0.996 121.835 122.820 0.017 0.000 2.072 73 A HA 0.274 4.607 4.320 0.023 0.000 0.216 73 A C 0.495 178.044 177.584 -0.058 0.000 1.156 73 A CA 0.265 52.253 52.037 -0.082 0.000 0.701 73 A CB -0.010 18.851 19.000 -0.232 0.000 0.816 73 A HN 0.643 nan 8.150 nan 0.000 0.458 74 W N -2.204 119.148 121.300 0.086 0.000 2.381 74 W HA 0.453 5.126 4.660 0.022 0.000 0.329 74 W C 0.940 177.556 176.519 0.162 0.000 1.157 74 W CA -0.679 56.727 57.345 0.102 0.000 1.240 74 W CB 0.544 30.043 29.460 0.065 0.000 1.199 74 W HN 0.300 nan 8.180 nan 0.000 0.579 75 Y N 2.362 122.877 120.300 0.359 0.000 2.351 75 Y HA 0.313 4.878 4.550 0.025 0.000 0.291 75 Y C 0.335 176.332 175.900 0.162 0.000 1.153 75 Y CA 0.822 59.041 58.100 0.198 0.000 1.193 75 Y CB -0.177 38.368 38.460 0.143 0.000 1.187 75 Y HN 0.061 nan 8.280 nan 0.000 0.524 76 V N -0.524 119.375 119.914 -0.025 0.000 3.087 76 V HA 0.689 4.823 4.120 0.023 0.000 0.306 76 V C -0.582 175.395 176.094 -0.195 0.000 1.187 76 V CA -0.234 61.944 62.300 -0.204 0.000 0.999 76 V CB 1.179 32.801 31.823 -0.335 0.000 1.049 76 V HN 0.376 nan 8.190 nan 0.000 0.431 77 T N 0.222 114.576 114.554 -0.332 0.000 2.945 77 T HA 0.943 5.307 4.350 0.023 0.000 0.286 77 T C 0.028 174.567 174.700 -0.268 0.000 1.025 77 T CA 0.071 61.846 62.100 -0.541 0.000 1.039 77 T CB 1.696 70.151 68.868 -0.688 0.000 1.068 77 T HN 1.895 nan 8.240 nan 0.000 0.497 78 T N -2.504 111.903 114.554 -0.246 0.000 2.731 78 T HA 0.681 5.045 4.350 0.023 0.000 0.300 78 T C -0.639 174.004 174.700 -0.095 0.000 1.283 78 T CA -0.867 61.167 62.100 -0.110 0.000 1.005 78 T CB 1.511 70.356 68.868 -0.038 0.000 1.420 78 T HN 0.759 nan 8.240 nan 0.000 0.503 79 S N 0.360 116.031 115.700 -0.048 0.000 2.564 79 S HA 0.416 4.899 4.470 0.023 0.000 0.141 79 S C -0.897 173.699 174.600 -0.007 0.000 1.474 79 S CA -0.723 57.460 58.200 -0.028 0.000 1.236 79 S CB -0.677 62.501 63.200 -0.036 0.000 1.481 79 S HN 0.620 nan 8.310 nan 0.000 0.397 80 I N 5.199 125.773 120.570 0.007 0.000 2.322 80 I HA 0.320 4.504 4.170 0.023 0.000 0.292 80 I C -1.876 174.254 176.117 0.021 0.000 1.060 80 I CA -2.073 59.235 61.300 0.014 0.000 1.309 80 I CB 1.071 39.083 38.000 0.019 0.000 1.415 80 I HN 0.339 nan 8.210 nan 0.000 0.492 81 P HA 0.185 nan 4.420 nan 0.000 0.272 81 P C -2.548 174.766 177.300 0.023 0.000 1.223 81 P CA -1.352 61.760 63.100 0.020 0.000 0.784 81 P CB 0.065 31.772 31.700 0.013 0.000 0.923 82 P HA 0.028 nan 4.420 nan 0.000 0.272 82 P C 0.865 178.176 177.300 0.019 0.000 1.230 82 P CA 0.126 63.242 63.100 0.027 0.000 0.788 82 P CB 0.263 31.983 31.700 0.032 0.000 0.949 83 T N -2.427 112.137 114.554 0.017 0.000 3.057 83 T HA 0.169 4.533 4.350 0.023 0.000 0.254 83 T C 0.663 175.370 174.700 0.012 0.000 1.094 83 T CA 0.178 62.286 62.100 0.012 0.000 1.088 83 T CB -0.071 68.803 68.868 0.010 0.000 0.934 83 T HN 0.390 nan 8.240 nan 0.000 0.497 84 S N 0.481 116.189 115.700 0.014 0.000 2.570 84 S HA 0.480 4.964 4.470 0.023 0.000 0.270 84 S C -1.826 172.784 174.600 0.017 0.000 1.149 84 S CA -0.936 57.272 58.200 0.013 0.000 0.837 84 S CB 1.948 65.154 63.200 0.011 0.000 1.124 84 S HN 0.253 nan 8.310 nan 0.000 0.465 85 D N 0.614 121.024 120.400 0.017 0.000 2.283 85 D HA 0.730 5.383 4.640 0.023 0.000 0.248 85 D C 0.493 176.805 176.300 0.020 0.000 1.072 85 D CA 0.244 54.257 54.000 0.021 0.000 0.929 85 D CB 1.566 42.378 40.800 0.020 0.000 1.182 85 D HN 0.724 nan 8.370 nan 0.000 0.433 86 G N -1.208 107.608 108.800 0.026 0.000 2.494 86 G HA2 0.215 4.189 3.960 0.023 0.000 0.308 86 G HA3 0.215 4.189 3.960 0.023 0.000 0.308 86 G C 0.543 175.461 174.900 0.031 0.000 1.263 86 G CA -0.115 44.998 45.100 0.023 0.000 0.840 86 G HN 0.356 nan 8.290 nan 0.000 0.479 87 V N -0.874 119.054 119.914 0.025 0.000 3.186 87 V HA 0.191 4.324 4.120 0.023 0.000 0.270 87 V C 1.643 177.768 176.094 0.050 0.000 1.149 87 V CA 1.718 64.038 62.300 0.035 0.000 1.160 87 V CB -0.806 31.028 31.823 0.019 0.000 0.758 87 V HN 0.432 nan 8.190 nan 0.000 0.516 88 L N -0.502 120.749 121.223 0.047 0.000 2.766 88 L HA 0.272 4.626 4.340 0.023 0.000 0.242 88 L C 0.960 177.904 176.870 0.123 0.000 1.136 88 L CA -0.172 54.722 54.840 0.090 0.000 0.933 88 L CB 0.037 42.115 42.059 0.032 0.000 1.241 88 L HN 0.152 nan 8.230 nan 0.000 0.522 89 T N 1.154 115.758 114.554 0.084 0.000 2.891 89 T HA 0.161 4.525 4.350 0.023 0.000 0.296 89 T C 1.242 175.993 174.700 0.085 0.000 1.025 89 T CA 1.501 63.645 62.100 0.073 0.000 1.149 89 T CB 0.573 69.472 68.868 0.052 0.000 1.007 89 T HN 0.657 nan 8.240 nan 0.000 0.528 90 G N 3.054 111.900 108.800 0.077 0.000 2.176 90 G HA2 -0.215 3.759 3.960 0.023 0.000 0.253 90 G HA3 -0.215 3.759 3.960 0.023 0.000 0.253 90 G C 0.168 175.118 174.900 0.083 0.000 0.979 90 G CA -0.355 44.786 45.100 0.068 0.000 0.641 90 G HN 0.651 nan 8.290 nan 0.000 0.530 91 R N 0.211 120.791 120.500 0.134 0.000 2.668 91 R HA 0.721 5.075 4.340 0.023 0.000 0.279 91 R C 0.316 176.716 176.300 0.167 0.000 0.976 91 R CA -0.718 55.477 56.100 0.159 0.000 0.978 91 R CB 0.848 31.386 30.300 0.398 0.000 1.133 91 R HN 0.377 nan 8.270 nan 0.000 0.484 92 R N 0.322 120.888 120.500 0.111 0.000 2.664 92 R HA 0.633 4.987 4.340 0.023 0.000 0.286 92 R C -0.658 175.763 176.300 0.202 0.000 0.967 92 R CA -1.048 55.136 56.100 0.140 0.000 0.933 92 R CB 2.139 32.503 30.300 0.106 0.000 1.146 92 R HN 0.327 nan 8.270 nan 0.000 0.468 93 V N 0.747 120.801 119.914 0.233 0.000 2.709 93 V HA 0.700 4.834 4.120 0.023 0.000 0.308 93 V C -1.026 175.209 176.094 0.236 0.000 1.062 93 V CA -0.603 61.854 62.300 0.261 0.000 0.901 93 V CB 1.895 33.878 31.823 0.267 0.000 1.003 93 V HN 0.955 nan 8.190 nan 0.000 0.425 94 A N 7.367 130.313 122.820 0.209 0.000 2.301 94 A HA 0.829 5.163 4.320 0.023 0.000 0.312 94 A C -0.677 177.003 177.584 0.160 0.000 1.182 94 A CA -0.619 51.555 52.037 0.228 0.000 0.826 94 A CB 0.681 19.698 19.000 0.028 0.000 1.134 94 A HN 0.701 nan 8.150 nan 0.000 0.501 95 I N 2.098 122.776 120.570 0.180 0.000 2.354 95 I HA 0.256 4.439 4.170 0.023 0.000 0.292 95 I C 0.555 176.737 176.117 0.108 0.000 0.989 95 I CA -0.499 60.872 61.300 0.119 0.000 1.188 95 I CB 1.349 39.413 38.000 0.106 0.000 1.342 95 I HN 0.804 nan 8.210 nan 0.000 0.457 96 K N 3.850 124.288 120.400 0.064 0.000 2.489 96 K HA -0.122 4.212 4.320 0.023 0.000 0.278 96 K C 0.781 177.415 176.600 0.056 0.000 1.000 96 K CA 0.172 56.489 56.287 0.049 0.000 1.012 96 K CB 0.576 33.093 32.500 0.028 0.000 0.903 96 K HN 0.476 nan 8.250 nan 0.000 0.485 97 D N 2.693 123.125 120.400 0.052 0.000 2.384 97 D HA -0.153 4.501 4.640 0.023 0.000 0.222 97 D C 1.066 177.369 176.300 0.005 0.000 0.976 97 D CA 1.304 55.325 54.000 0.034 0.000 0.915 97 D CB -0.007 40.770 40.800 -0.038 0.000 0.896 97 D HN 0.731 nan 8.370 nan 0.000 0.523 98 N N -1.303 117.404 118.700 0.011 0.000 2.398 98 N HA -0.009 4.745 4.740 0.023 0.000 0.188 98 N C -0.420 175.123 175.510 0.055 0.000 1.122 98 N CA -0.133 52.935 53.050 0.032 0.000 0.866 98 N CB 0.554 39.081 38.487 0.067 0.000 0.970 98 N HN -0.140 nan 8.380 nan 0.000 0.462 99 V N 1.898 121.829 119.914 0.028 0.000 2.370 99 V HA 0.211 4.344 4.120 0.023 0.000 0.283 99 V C 0.530 176.650 176.094 0.044 0.000 1.023 99 V CA -1.001 61.300 62.300 0.003 0.000 0.857 99 V CB 1.035 32.839 31.823 -0.031 0.000 0.985 99 V HN 0.340 nan 8.190 nan 0.000 0.443 100 T N 2.603 117.195 114.554 0.064 0.000 2.916 100 T HA 0.449 4.812 4.350 0.023 0.000 0.303 100 T C -0.400 174.321 174.700 0.035 0.000 1.025 100 T CA -0.360 61.784 62.100 0.073 0.000 1.142 100 T CB 1.033 69.971 68.868 0.116 0.000 0.947 100 T HN 0.365 nan 8.240 nan 0.000 0.544 101 V N 3.236 123.159 119.914 0.014 0.000 2.398 101 V HA 0.598 4.731 4.120 0.023 0.000 0.282 101 V C 0.750 176.827 176.094 -0.029 0.000 1.014 101 V CA -1.189 61.113 62.300 0.004 0.000 0.838 101 V CB 0.744 32.576 31.823 0.016 0.000 1.018 101 V HN 1.371 nan 8.190 nan 0.000 0.432 102 A N 3.542 126.347 122.820 -0.024 0.000 2.603 102 A HA 0.421 4.754 4.320 0.023 0.000 0.235 102 A C 1.658 179.207 177.584 -0.058 0.000 1.035 102 A CA 1.169 53.179 52.037 -0.045 0.000 0.755 102 A CB -0.343 18.645 19.000 -0.021 0.000 0.954 102 A HN 2.357 nan 8.150 nan 0.000 0.511 103 G N 0.471 109.218 108.800 -0.088 0.000 2.189 103 G HA2 -0.125 3.849 3.960 0.023 0.000 0.267 103 G HA3 -0.125 3.849 3.960 0.023 0.000 0.267 103 G C 0.147 174.986 174.900 -0.103 0.000 0.975 103 G CA 0.392 45.447 45.100 -0.076 0.000 0.644 103 G HN 1.645 nan 8.290 nan 0.000 0.537 104 V N 1.012 120.835 119.914 -0.150 0.000 2.604 104 V HA 0.557 4.691 4.120 0.023 0.000 0.305 104 V C -1.942 174.000 176.094 -0.253 0.000 1.043 104 V CA -1.859 60.305 62.300 -0.227 0.000 0.888 104 V CB 2.258 34.004 31.823 -0.128 0.000 0.995 104 V HN 0.048 nan 8.190 nan 0.000 0.429 105 P HA 0.346 nan 4.420 nan 0.000 0.270 105 P C -0.676 176.695 177.300 0.118 0.000 1.223 105 P CA -0.129 62.883 63.100 -0.148 0.000 0.785 105 P CB 0.378 31.962 31.700 -0.193 0.000 0.923 106 M N 1.130 120.837 119.600 0.178 0.000 2.490 106 M HA 0.478 4.972 4.480 0.023 0.000 0.286 106 M C -0.564 175.746 176.300 0.018 0.000 1.185 106 M CA -0.609 54.773 55.300 0.138 0.000 0.912 106 M CB 2.383 35.043 32.600 0.100 0.000 1.744 106 M HN 0.347 nan 8.290 nan 0.000 0.494 107 M N 0.120 119.583 119.600 -0.228 0.000 2.193 107 M HA 0.427 4.921 4.480 0.023 0.000 0.365 107 M C 0.103 176.266 176.300 -0.228 0.000 0.877 107 M CA -0.016 55.159 55.300 -0.207 0.000 1.077 107 M CB 0.503 32.914 32.600 -0.315 0.000 1.967 107 M HN 0.957 nan 8.290 nan 0.000 0.668 108 N N 2.800 121.357 118.700 -0.238 0.000 2.725 108 N HA -0.162 4.592 4.740 0.023 0.000 0.251 108 N C 0.734 176.142 175.510 -0.171 0.000 1.031 108 N CA 1.407 54.330 53.050 -0.212 0.000 0.720 108 N CB -1.548 36.726 38.487 -0.356 0.000 0.930 108 N HN 0.967 nan 8.380 nan 0.000 0.543 109 G N -1.279 107.415 108.800 -0.176 0.000 2.309 109 G HA2 -0.290 3.683 3.960 0.023 0.000 0.286 109 G HA3 -0.290 3.683 3.960 0.023 0.000 0.286 109 G C 0.065 174.928 174.900 -0.062 0.000 1.002 109 G CA 1.166 46.200 45.100 -0.108 0.000 0.786 109 G HN 1.282 nan 8.290 nan 0.000 0.511 110 S N -1.635 114.016 115.700 -0.082 0.000 2.542 110 S HA 0.672 5.156 4.470 0.023 0.000 0.293 110 S C 1.399 175.985 174.600 -0.025 0.000 1.089 110 S CA -0.766 57.419 58.200 -0.026 0.000 0.961 110 S CB 1.084 64.277 63.200 -0.011 0.000 1.062 110 S HN 0.152 nan 8.310 nan 0.000 0.483 111 R N 1.494 121.994 120.500 0.001 0.000 2.189 111 R HA -0.013 4.341 4.340 0.023 0.000 0.218 111 R C 1.901 178.116 176.300 -0.141 0.000 1.074 111 R CA 1.543 57.618 56.100 -0.041 0.000 0.991 111 R CB -1.342 28.976 30.300 0.030 0.000 0.883 111 R HN 0.863 nan 8.270 nan 0.000 0.457 112 T N -2.885 111.647 114.554 -0.037 0.000 3.160 112 T HA 0.084 4.448 4.350 0.023 0.000 0.257 112 T C 1.488 176.231 174.700 0.072 0.000 1.147 112 T CA 0.406 62.487 62.100 -0.031 0.000 1.064 112 T CB 0.132 69.029 68.868 0.047 0.000 0.949 112 T HN -0.055 nan 8.240 nan 0.000 0.526 113 V N -0.735 119.228 119.914 0.081 0.000 3.368 113 V HA 0.279 4.413 4.120 0.023 0.000 0.255 113 V C 0.703 176.953 176.094 0.259 0.000 1.466 113 V CA -0.459 61.964 62.300 0.205 0.000 1.095 113 V CB 0.446 32.276 31.823 0.012 0.000 0.899 113 V HN 0.475 nan 8.190 nan 0.000 0.440 114 E N 1.132 121.388 120.200 0.093 0.000 2.765 114 E HA 0.194 4.558 4.350 0.023 0.000 0.256 114 E C 1.196 177.919 176.600 0.205 0.000 0.935 114 E CA 1.309 57.768 56.400 0.099 0.000 0.954 114 E CB 0.050 29.775 29.700 0.042 0.000 0.908 114 E HN 0.548 nan 8.360 nan 0.000 0.500 115 G N 3.583 112.506 108.800 0.206 0.000 2.211 115 G HA2 -0.267 3.707 3.960 0.023 0.000 0.201 115 G HA3 -0.267 3.707 3.960 0.023 0.000 0.201 115 G C -0.290 174.669 174.900 0.099 0.000 0.997 115 G CA -0.139 45.078 45.100 0.194 0.000 0.652 115 G HN 0.517 nan 8.290 nan 0.000 0.500 116 F N 2.498 122.321 119.950 -0.212 0.000 2.410 116 F HA 0.705 5.250 4.527 0.030 0.000 0.348 116 F C 0.318 176.013 175.800 -0.175 0.000 1.106 116 F CA -0.060 57.664 58.000 -0.460 0.000 1.163 116 F CB 2.049 40.673 39.000 -0.627 0.000 1.129 116 F HN 0.038 nan 8.300 nan 0.000 0.516 117 T N 8.650 122.650 114.554 -0.923 0.000 2.912 117 T HA 0.423 4.787 4.350 0.023 0.000 0.326 117 T C -2.693 171.361 174.700 -1.076 0.000 1.080 117 T CA -1.963 59.680 62.100 -0.761 0.000 1.000 117 T CB 0.344 69.000 68.868 -0.353 0.000 1.008 117 T HN 0.498 nan 8.240 nan 0.000 0.473 118 P HA 0.148 nan 4.420 nan 0.000 0.270 118 P C 0.473 177.637 177.300 -0.227 0.000 1.223 118 P CA -0.199 62.557 63.100 -0.574 0.000 0.785 118 P CB 0.908 32.493 31.700 -0.193 0.000 0.923 119 S N 0.468 116.134 115.700 -0.057 0.000 2.512 119 S HA 0.184 4.667 4.470 0.023 0.000 0.216 119 S C 0.700 175.306 174.600 0.010 0.000 1.006 119 S CA -0.396 57.796 58.200 -0.015 0.000 0.915 119 S CB 0.136 63.356 63.200 0.033 0.000 0.824 119 S HN 0.409 nan 8.310 nan 0.000 0.497 120 R N 0.877 121.397 120.500 0.032 0.000 2.803 120 R HA 0.576 4.930 4.340 0.023 0.000 0.276 120 R C -1.668 174.652 176.300 0.032 0.000 0.978 120 R CA -0.806 55.317 56.100 0.038 0.000 0.939 120 R CB 0.780 31.119 30.300 0.064 0.000 1.179 120 R HN 0.103 nan 8.270 nan 0.000 0.472 121 D N 1.087 121.503 120.400 0.025 0.000 2.198 121 D HA 0.279 4.933 4.640 0.023 0.000 0.245 121 D C -0.118 176.197 176.300 0.025 0.000 1.079 121 D CA -0.115 53.898 54.000 0.021 0.000 0.854 121 D CB 1.813 42.622 40.800 0.014 0.000 1.148 121 D HN 0.579 nan 8.370 nan 0.000 0.456 122 A N 2.122 124.954 122.820 0.020 0.000 2.492 122 A HA 0.107 4.441 4.320 0.023 0.000 0.236 122 A C 1.504 179.089 177.584 0.001 0.000 1.078 122 A CA 0.102 52.142 52.037 0.005 0.000 0.773 122 A CB 0.210 19.193 19.000 -0.028 0.000 1.023 122 A HN 0.593 nan 8.150 nan 0.000 0.504 123 T N 0.755 115.307 114.554 -0.003 0.000 2.746 123 T HA -0.155 4.209 4.350 0.023 0.000 0.267 123 T C 1.953 176.650 174.700 -0.004 0.000 1.039 123 T CA 1.997 64.097 62.100 0.001 0.000 1.142 123 T CB -0.712 68.158 68.868 0.004 0.000 0.866 123 T HN 0.959 nan 8.240 nan 0.000 0.444 124 V N 0.087 119.992 119.914 -0.016 0.000 2.490 124 V HA -0.095 4.039 4.120 0.023 0.000 0.250 124 V C 2.407 178.498 176.094 -0.005 0.000 1.061 124 V CA 1.175 63.467 62.300 -0.014 0.000 1.064 124 V CB -1.351 30.457 31.823 -0.025 0.000 0.670 124 V HN 0.307 nan 8.190 nan 0.000 0.461 125 V N 1.224 121.138 119.914 -0.001 0.000 2.295 125 V HA -0.233 3.900 4.120 0.023 0.000 0.246 125 V C 2.831 178.932 176.094 0.012 0.000 1.049 125 V CA 2.799 65.106 62.300 0.012 0.000 1.024 125 V CB -1.153 30.679 31.823 0.016 0.000 0.648 125 V HN 0.665 nan 8.190 nan 0.000 0.447 126 T N -0.368 114.192 114.554 0.009 0.000 2.746 126 T HA -0.190 4.173 4.350 0.023 0.000 0.267 126 T C 2.051 176.756 174.700 0.007 0.000 1.039 126 T CA 1.460 63.565 62.100 0.009 0.000 1.142 126 T CB -0.232 68.642 68.868 0.009 0.000 0.866 126 T HN 0.421 nan 8.240 nan 0.000 0.444 127 R N 0.188 120.690 120.500 0.003 0.000 2.092 127 R HA 0.034 4.387 4.340 0.023 0.000 0.231 127 R C 2.200 178.498 176.300 -0.004 0.000 1.119 127 R CA 0.738 56.838 56.100 -0.001 0.000 0.970 127 R CB -0.391 29.907 30.300 -0.003 0.000 0.864 127 R HN 0.207 nan 8.270 nan 0.000 0.440 128 L N 0.743 121.963 121.223 -0.005 0.000 2.017 128 L HA -0.143 4.211 4.340 0.023 0.000 0.208 128 L C 2.195 179.072 176.870 0.011 0.000 1.073 128 L CA 1.629 56.465 54.840 -0.006 0.000 0.745 128 L CB -0.901 41.162 42.059 0.007 0.000 0.894 128 L HN 0.196 nan 8.230 nan 0.000 0.432 129 L N -0.894 120.340 121.223 0.018 0.000 2.083 129 L HA -0.154 4.200 4.340 0.023 0.000 0.209 129 L C 2.312 179.193 176.870 0.018 0.000 1.083 129 L CA 1.097 55.951 54.840 0.023 0.000 0.752 129 L CB -0.637 41.435 42.059 0.022 0.000 0.899 129 L HN 0.247 nan 8.230 nan 0.000 0.433 130 A N -0.572 122.255 122.820 0.012 0.000 2.235 130 A HA 0.261 4.595 4.320 0.023 0.000 0.208 130 A C 1.988 179.577 177.584 0.008 0.000 1.172 130 A CA 0.989 53.031 52.037 0.009 0.000 0.786 130 A CB -0.340 18.664 19.000 0.007 0.000 0.804 130 A HN 0.348 nan 8.150 nan 0.000 0.479 131 A N -2.183 120.642 122.820 0.007 0.000 2.390 131 A HA 0.485 4.819 4.320 0.023 0.000 0.232 131 A C 1.505 179.100 177.584 0.018 0.000 1.233 131 A CA 0.950 52.990 52.037 0.005 0.000 0.907 131 A CB -0.298 18.693 19.000 -0.014 0.000 0.967 131 A HN 1.641 nan 8.150 nan 0.000 0.512 132 G N -1.633 107.184 108.800 0.027 0.000 2.179 132 G HA2 0.134 4.107 3.960 0.023 0.000 0.220 132 G HA3 0.134 4.107 3.960 0.023 0.000 0.220 132 G C 0.503 175.439 174.900 0.060 0.000 0.990 132 G CA 0.126 45.251 45.100 0.040 0.000 0.646 132 G HN 1.525 nan 8.290 nan 0.000 0.517 133 A N -0.051 122.807 122.820 0.064 0.000 2.332 133 A HA 0.719 5.053 4.320 0.023 0.000 0.258 133 A C 0.488 178.123 177.584 0.085 0.000 1.087 133 A CA 1.040 53.136 52.037 0.099 0.000 0.802 133 A CB 0.570 19.632 19.000 0.104 0.000 1.042 133 A HN 0.712 nan 8.150 nan 0.000 0.489 134 T N 1.534 116.149 114.554 0.101 0.000 2.772 134 T HA 0.399 4.763 4.350 0.023 0.000 0.288 134 T C -0.327 174.431 174.700 0.097 0.000 0.994 134 T CA -0.250 61.898 62.100 0.079 0.000 0.951 134 T CB 0.912 69.819 68.868 0.066 0.000 0.933 134 T HN 0.403 nan 8.240 nan 0.000 0.447 135 V N 3.855 123.818 119.914 0.081 0.000 2.415 135 V HA 0.239 4.373 4.120 0.023 0.000 0.267 135 V C 1.272 177.418 176.094 0.087 0.000 1.042 135 V CA 0.037 62.396 62.300 0.098 0.000 1.000 135 V CB 0.491 32.359 31.823 0.076 0.000 1.015 135 V HN 1.115 nan 8.190 nan 0.000 0.478 136 A N 4.202 127.105 122.820 0.139 0.000 2.218 136 A HA 0.621 4.955 4.320 0.023 0.000 0.209 136 A C 1.106 178.667 177.584 -0.038 0.000 1.168 136 A CA 0.804 52.896 52.037 0.091 0.000 0.804 136 A CB -0.152 18.981 19.000 0.222 0.000 0.834 136 A HN 1.376 nan 8.150 nan 0.000 0.482 137 G N -0.857 108.022 108.800 0.131 0.000 2.369 137 G HA2 0.325 4.299 3.960 0.023 0.000 0.293 137 G HA3 0.325 4.299 3.960 0.023 0.000 0.293 137 G C -1.797 173.341 174.900 0.395 0.000 1.301 137 G CA -1.004 44.167 45.100 0.119 0.000 0.913 137 G HN 0.026 nan 8.290 nan 0.000 0.540 138 K N 0.306 120.936 120.400 0.383 0.000 2.213 138 K HA 0.745 5.079 4.320 0.023 0.000 0.270 138 K C 0.092 176.972 176.600 0.466 0.000 1.002 138 K CA -0.224 56.282 56.287 0.366 0.000 0.868 138 K CB 1.686 34.376 32.500 0.317 0.000 1.093 138 K HN 1.079 nan 8.250 nan 0.000 0.454 139 A N 2.946 125.927 122.820 0.269 0.000 2.290 139 A HA 0.369 4.702 4.320 0.023 0.000 0.310 139 A C 0.112 177.758 177.584 0.103 0.000 1.202 139 A CA -0.703 51.408 52.037 0.123 0.000 0.837 139 A CB 0.480 19.449 19.000 -0.052 0.000 1.139 139 A HN 0.451 nan 8.150 nan 0.000 0.509 140 V N 1.902 121.880 119.914 0.107 0.000 2.720 140 V HA 0.152 4.286 4.120 0.023 0.000 0.307 140 V C 0.793 176.894 176.094 0.012 0.000 1.071 140 V CA 0.391 62.726 62.300 0.058 0.000 1.199 140 V CB -0.529 31.340 31.823 0.076 0.000 0.900 140 V HN 1.168 nan 8.190 nan 0.000 0.494 141 C N 3.662 122.955 119.300 -0.012 0.000 2.889 141 C HA 0.704 5.178 4.460 0.023 0.000 0.307 141 C C -0.068 174.912 174.990 -0.017 0.000 1.251 141 C CA -1.209 57.802 59.018 -0.011 0.000 1.593 141 C CB 1.388 29.123 27.740 -0.007 0.000 2.104 141 C HN 0.772 nan 8.230 nan 0.000 0.476 142 E N 1.105 121.298 120.200 -0.012 0.000 2.458 142 E HA -0.008 4.356 4.350 0.023 0.000 0.264 142 E C -0.079 176.529 176.600 0.013 0.000 1.097 142 E CA 0.618 57.012 56.400 -0.010 0.000 0.973 142 E CB 0.328 30.016 29.700 -0.020 0.000 0.963 142 E HN 0.795 nan 8.360 nan 0.000 0.451 143 D N 2.019 122.443 120.400 0.039 0.000 2.402 143 D HA -0.109 4.544 4.640 0.023 0.000 0.268 143 D C 0.718 177.067 176.300 0.082 0.000 1.294 143 D CA 0.365 54.399 54.000 0.057 0.000 0.945 143 D CB -0.229 40.630 40.800 0.099 0.000 1.112 143 D HN 0.433 nan 8.370 nan 0.000 0.517 144 L N 3.166 124.403 121.223 0.023 0.000 4.137 144 L HA -0.410 3.944 4.340 0.023 0.000 0.421 144 L C 1.249 178.201 176.870 0.138 0.000 1.162 144 L CA 0.197 55.060 54.840 0.038 0.000 0.978 144 L CB -2.199 39.932 42.059 0.120 0.000 1.957 144 L HN 0.683 nan 8.230 nan 0.000 0.978 145 C N -2.461 116.896 119.300 0.094 0.000 4.570 145 C HA -0.264 4.210 4.460 0.023 0.000 0.280 145 C C 1.145 176.189 174.990 0.090 0.000 1.622 145 C CA 0.978 60.047 59.018 0.084 0.000 1.837 145 C CB -2.662 25.131 27.740 0.088 0.000 1.869 145 C HN 0.619 nan 8.230 nan 0.000 0.686 146 F N 2.026 122.033 119.950 0.095 0.000 2.669 146 F HA 0.478 5.021 4.527 0.027 0.000 0.353 146 F C 0.691 176.555 175.800 0.106 0.000 1.192 146 F CA 0.927 59.002 58.000 0.125 0.000 1.317 146 F CB 0.017 39.096 39.000 0.132 0.000 1.652 146 F HN 0.279 nan 8.300 nan 0.000 0.608 147 S N 0.458 116.204 115.700 0.076 0.000 2.563 147 S HA 0.452 4.936 4.470 0.023 0.000 0.279 147 S C 0.466 175.037 174.600 -0.048 0.000 1.155 147 S CA -0.208 58.005 58.200 0.022 0.000 0.928 147 S CB 0.941 64.094 63.200 -0.078 0.000 1.107 147 S HN 0.429 nan 8.310 nan 0.000 0.462 148 G N 1.782 110.561 108.800 -0.034 0.000 3.042 148 G HA2 0.309 4.283 3.960 0.023 0.000 0.212 148 G HA3 0.309 4.283 3.960 0.023 0.000 0.212 148 G C 0.569 175.484 174.900 0.024 0.000 1.166 148 G CA 0.432 45.513 45.100 -0.031 0.000 0.767 148 G HN 0.680 nan 8.290 nan 0.000 0.546 149 S N -0.712 114.954 115.700 -0.056 0.000 2.721 149 S HA 0.538 5.022 4.470 0.023 0.000 0.296 149 S C 1.142 175.675 174.600 -0.112 0.000 1.093 149 S CA 0.365 58.553 58.200 -0.019 0.000 0.959 149 S CB 1.347 64.511 63.200 -0.061 0.000 1.301 149 S HN 0.322 nan 8.310 nan 0.000 0.550 150 S N 0.499 116.158 115.700 -0.068 0.000 2.855 150 S HA 0.263 4.747 4.470 0.023 0.000 0.249 150 S C 0.150 174.749 174.600 -0.001 0.000 1.033 150 S CA -0.513 57.665 58.200 -0.036 0.000 1.038 150 S CB -0.668 62.557 63.200 0.042 0.000 0.960 150 S HN 0.678 nan 8.310 nan 0.000 0.548 151 F N 0.406 120.326 119.950 -0.050 0.000 2.661 151 F HA 0.416 4.957 4.527 0.024 0.000 0.306 151 F C 1.493 177.289 175.800 -0.007 0.000 1.094 151 F CA -0.028 57.938 58.000 -0.057 0.000 1.254 151 F CB -0.405 38.514 39.000 -0.135 0.000 1.040 151 F HN 0.240 nan 8.300 nan 0.000 0.562 152 T N -3.599 110.842 114.554 -0.188 0.000 3.060 152 T HA 0.318 4.681 4.350 0.023 0.000 0.249 152 T C -2.086 172.669 174.700 0.091 0.000 1.079 152 T CA -0.774 61.352 62.100 0.043 0.000 1.013 152 T CB -1.139 67.737 68.868 0.014 0.000 0.975 152 T HN -0.015 nan 8.240 nan 0.000 0.518 153 P HA 0.331 nan 4.420 nan 0.000 0.267 153 P C 0.805 178.153 177.300 0.080 0.000 1.205 153 P CA 0.077 63.208 63.100 0.051 0.000 0.765 153 P CB 0.701 32.424 31.700 0.039 0.000 0.828 154 A N 3.207 126.065 122.820 0.064 0.000 2.070 154 A HA -0.140 4.194 4.320 0.023 0.000 0.220 154 A C 1.821 179.454 177.584 0.082 0.000 1.159 154 A CA 1.913 53.995 52.037 0.077 0.000 0.656 154 A CB -1.165 17.868 19.000 0.055 0.000 0.800 154 A HN 0.567 nan 8.150 nan 0.000 0.453 155 S N -1.721 114.025 115.700 0.077 0.000 2.593 155 S HA 0.458 4.941 4.470 0.023 0.000 0.217 155 S C 0.922 175.585 174.600 0.105 0.000 0.966 155 S CA 0.590 58.852 58.200 0.103 0.000 0.914 155 S CB -0.607 62.670 63.200 0.128 0.000 0.776 155 S HN 1.961 nan 8.310 nan 0.000 0.523 156 G N 1.497 110.357 108.800 0.100 0.000 2.497 156 G HA2 0.098 4.072 3.960 0.023 0.000 0.686 156 G HA3 0.098 4.072 3.960 0.023 0.000 0.686 156 G C -3.554 171.406 174.900 0.099 0.000 1.288 156 G CA -0.727 44.434 45.100 0.102 0.000 0.899 156 G HN 0.226 nan 8.290 nan 0.000 0.608 157 P HA 0.509 nan 4.420 nan 0.000 0.284 157 P C -0.050 177.294 177.300 0.074 0.000 1.253 157 P CA -0.322 62.838 63.100 0.101 0.000 0.800 157 P CB 1.705 33.479 31.700 0.124 0.000 0.961 158 V N 4.773 124.723 119.914 0.061 0.000 2.461 158 V HA 0.217 4.351 4.120 0.023 0.000 0.275 158 V C 1.156 177.275 176.094 0.041 0.000 1.047 158 V CA -0.348 61.978 62.300 0.043 0.000 0.955 158 V CB 0.102 31.941 31.823 0.027 0.000 0.988 158 V HN 0.476 nan 8.190 nan 0.000 0.471 159 R N 3.432 123.953 120.500 0.036 0.000 2.357 159 R HA 0.278 4.631 4.340 0.023 0.000 0.296 159 R C 0.166 176.490 176.300 0.040 0.000 1.052 159 R CA -0.671 55.449 56.100 0.034 0.000 0.988 159 R CB 0.560 30.879 30.300 0.031 0.000 1.025 159 R HN 0.642 nan 8.270 nan 0.000 0.469 160 N N 4.129 122.859 118.700 0.050 0.000 2.497 160 N HA 0.020 4.774 4.740 0.023 0.000 0.268 160 N C -1.610 173.968 175.510 0.114 0.000 1.171 160 N CA -1.654 51.454 53.050 0.098 0.000 0.948 160 N CB 1.035 39.583 38.487 0.101 0.000 1.069 160 N HN 0.371 nan 8.380 nan 0.000 0.460 161 P HA -0.055 nan 4.420 nan 0.000 0.234 161 P C 0.619 177.906 177.300 -0.021 0.000 1.167 161 P CA 0.910 64.025 63.100 0.025 0.000 0.763 161 P CB 0.010 31.698 31.700 -0.021 0.000 0.835 162 W N 0.218 121.531 121.300 0.021 0.000 2.737 162 W HA 0.155 4.828 4.660 0.023 0.000 0.262 162 W C 0.469 176.994 176.519 0.011 0.000 1.282 162 W CA 0.606 57.967 57.345 0.027 0.000 1.386 162 W CB 0.317 29.807 29.460 0.050 0.000 1.099 162 W HN -0.097 nan 8.180 nan 0.000 0.621 163 D N -0.944 119.574 120.400 0.196 0.000 2.300 163 D HA 0.078 4.732 4.640 0.023 0.000 0.218 163 D C 0.406 176.744 176.300 0.063 0.000 1.326 163 D CA -0.291 53.773 54.000 0.106 0.000 0.942 163 D CB 0.721 41.581 40.800 0.101 0.000 1.495 163 D HN -0.067 nan 8.370 nan 0.000 0.545 164 R N 1.236 121.760 120.500 0.040 0.000 2.395 164 R HA -0.045 4.309 4.340 0.023 0.000 0.203 164 R C 0.959 177.270 176.300 0.019 0.000 1.076 164 R CA 0.646 56.763 56.100 0.028 0.000 1.059 164 R CB 0.334 30.645 30.300 0.020 0.000 0.860 164 R HN 0.370 nan 8.270 nan 0.000 0.476 165 Q N -0.173 119.635 119.800 0.013 0.000 2.317 165 Q HA 0.149 4.503 4.340 0.023 0.000 0.220 165 Q C 0.279 176.269 176.000 -0.017 0.000 0.873 165 Q CA 0.479 56.281 55.803 -0.001 0.000 0.936 165 Q CB 0.816 29.551 28.738 -0.004 0.000 1.105 165 Q HN 0.235 nan 8.270 nan 0.000 0.520 166 R N 1.516 122.005 120.500 -0.018 0.000 2.720 166 R HA 0.257 4.611 4.340 0.023 0.000 0.272 166 R C 0.078 176.338 176.300 -0.067 0.000 0.991 166 R CA -0.536 55.529 56.100 -0.059 0.000 1.010 166 R CB 1.145 31.401 30.300 -0.073 0.000 1.141 166 R HN 0.120 nan 8.270 nan 0.000 0.494 167 E N 0.706 120.830 120.200 -0.126 0.000 2.436 167 E HA 0.041 4.404 4.350 0.023 0.000 0.262 167 E C -0.140 176.387 176.600 -0.121 0.000 1.063 167 E CA 0.007 56.343 56.400 -0.108 0.000 0.944 167 E CB 0.716 30.334 29.700 -0.137 0.000 0.950 167 E HN 0.670 nan 8.360 nan 0.000 0.444 168 A N 2.679 125.499 122.820 -0.001 0.000 2.267 168 A HA 0.409 4.743 4.320 0.023 0.000 0.213 168 A C 1.074 178.768 177.584 0.182 0.000 1.192 168 A CA 0.607 52.686 52.037 0.070 0.000 0.851 168 A CB -0.422 18.615 19.000 0.062 0.000 0.881 168 A HN 1.146 nan 8.150 nan 0.000 0.494 169 G N -2.012 106.918 108.800 0.216 0.000 2.627 169 G HA2 0.445 4.419 3.960 0.023 0.000 0.214 169 G HA3 0.445 4.419 3.960 0.023 0.000 0.214 169 G C 0.260 175.257 174.900 0.161 0.000 1.331 169 G CA -0.362 45.001 45.100 0.437 0.000 0.891 169 G HN 2.215 nan 8.290 nan 0.000 0.539 170 G N -2.731 106.124 108.800 0.092 0.000 2.325 170 G HA2 0.654 4.627 3.960 0.023 0.000 0.297 170 G HA3 0.654 4.627 3.960 0.023 0.000 0.297 170 G C 0.649 175.529 174.900 -0.034 0.000 1.448 170 G CA 0.958 46.063 45.100 0.008 0.000 0.838 170 G HN 2.240 nan 8.290 nan 0.000 0.579 171 S N -1.323 114.352 115.700 -0.041 0.000 2.562 171 S HA 0.127 4.611 4.470 0.023 0.000 0.221 171 S C 1.308 175.902 174.600 -0.010 0.000 0.975 171 S CA 1.280 59.466 58.200 -0.023 0.000 0.918 171 S CB 0.118 63.310 63.200 -0.013 0.000 0.772 171 S HN 0.740 nan 8.310 nan 0.000 0.531 172 S N 1.550 117.244 115.700 -0.009 0.000 2.667 172 S HA 0.380 4.864 4.470 0.023 0.000 0.251 172 S C 1.625 176.222 174.600 -0.003 0.000 1.075 172 S CA -0.072 58.125 58.200 -0.005 0.000 1.130 172 S CB -0.051 63.146 63.200 -0.006 0.000 0.795 172 S HN 0.672 nan 8.310 nan 0.000 0.462 173 G N 2.563 111.366 108.800 0.004 0.000 2.491 173 G HA2 -0.193 3.781 3.960 0.023 0.000 0.218 173 G HA3 -0.193 3.781 3.960 0.023 0.000 0.218 173 G C 1.449 176.346 174.900 -0.006 0.000 1.180 173 G CA 0.857 45.968 45.100 0.019 0.000 0.774 173 G HN 0.587 nan 8.290 nan 0.000 0.562 174 G N 0.551 109.337 108.800 -0.024 0.000 2.476 174 G HA2 -0.202 3.772 3.960 0.023 0.000 0.218 174 G HA3 -0.202 3.772 3.960 0.023 0.000 0.218 174 G C 2.173 176.998 174.900 -0.124 0.000 1.164 174 G CA 1.615 46.671 45.100 -0.072 0.000 0.768 174 G HN 0.443 nan 8.290 nan 0.000 0.560 175 S N 1.151 116.801 115.700 -0.083 0.000 2.353 175 S HA -0.102 4.382 4.470 0.023 0.000 0.222 175 S C 2.821 177.378 174.600 -0.071 0.000 1.035 175 S CA 1.496 59.645 58.200 -0.085 0.000 1.025 175 S CB -0.579 62.604 63.200 -0.028 0.000 0.902 175 S HN 0.635 nan 8.310 nan 0.000 0.440 176 A N 1.621 124.422 122.820 -0.031 0.000 1.902 176 A HA 0.067 4.400 4.320 0.023 0.000 0.217 176 A C 2.381 179.964 177.584 -0.002 0.000 1.181 176 A CA 1.849 53.885 52.037 -0.002 0.000 0.623 176 A CB -1.209 17.806 19.000 0.025 0.000 0.818 176 A HN 0.529 nan 8.150 nan 0.000 0.443 177 A N -0.127 122.681 122.820 -0.020 0.000 1.865 177 A HA -0.114 4.220 4.320 0.023 0.000 0.217 177 A C 2.191 179.725 177.584 -0.082 0.000 1.191 177 A CA 1.639 53.662 52.037 -0.023 0.000 0.623 177 A CB -0.726 18.249 19.000 -0.041 0.000 0.826 177 A HN 0.487 nan 8.150 nan 0.000 0.444 178 L N -0.643 120.470 121.223 -0.183 0.000 2.042 178 L HA -0.184 4.170 4.340 0.023 0.000 0.210 178 L C 2.551 179.340 176.870 -0.136 0.000 1.076 178 L CA 1.219 55.903 54.840 -0.259 0.000 0.749 178 L CB -0.602 41.152 42.059 -0.509 0.000 0.893 178 L HN 0.266 nan 8.230 nan 0.000 0.432 179 V N -0.091 119.769 119.914 -0.090 0.000 2.307 179 V HA -0.258 3.876 4.120 0.023 0.000 0.245 179 V C 2.726 178.811 176.094 -0.014 0.000 1.045 179 V CA 1.788 64.060 62.300 -0.046 0.000 1.024 179 V CB -0.761 31.054 31.823 -0.013 0.000 0.651 179 V HN 0.473 nan 8.190 nan 0.000 0.449 180 A N 0.295 123.128 122.820 0.021 0.000 1.902 180 A HA -0.263 4.071 4.320 0.023 0.000 0.217 180 A C 2.008 179.597 177.584 0.008 0.000 1.181 180 A CA 2.257 54.338 52.037 0.074 0.000 0.623 180 A CB -0.802 18.299 19.000 0.168 0.000 0.818 180 A HN 0.591 nan 8.150 nan 0.000 0.443 181 N N -1.069 117.616 118.700 -0.025 0.000 2.550 181 N HA 0.120 4.874 4.740 0.023 0.000 0.186 181 N C 1.007 176.491 175.510 -0.044 0.000 1.110 181 N CA 1.367 54.386 53.050 -0.052 0.000 0.912 181 N CB -0.069 38.387 38.487 -0.051 0.000 0.968 181 N HN 0.650 nan 8.380 nan 0.000 0.448 182 G N -0.320 108.457 108.800 -0.038 0.000 2.143 182 G HA2 -0.247 3.726 3.960 0.023 0.000 0.249 182 G HA3 -0.247 3.726 3.960 0.023 0.000 0.249 182 G C 0.552 175.445 174.900 -0.012 0.000 0.981 182 G CA 0.430 45.510 45.100 -0.034 0.000 0.665 182 G HN 0.429 nan 8.290 nan 0.000 0.528 183 D N -0.570 119.829 120.400 -0.002 0.000 2.224 183 D HA 0.114 4.767 4.640 0.023 0.000 0.205 183 D C 1.550 177.912 176.300 0.103 0.000 0.965 183 D CA 1.843 55.888 54.000 0.075 0.000 0.852 183 D CB 0.362 41.216 40.800 0.090 0.000 0.947 183 D HN 0.963 nan 8.370 nan 0.000 0.494 184 V N -2.818 117.107 119.914 0.019 0.000 3.159 184 V HA 0.328 4.461 4.120 0.023 0.000 0.308 184 V C 0.206 176.230 176.094 -0.117 0.000 1.190 184 V CA -0.881 61.426 62.300 0.011 0.000 1.037 184 V CB 2.509 34.372 31.823 0.067 0.000 1.060 184 V HN -0.292 nan 8.190 nan 0.000 0.437 185 D N 0.299 120.546 120.400 -0.255 0.000 2.216 185 D HA 0.205 4.859 4.640 0.023 0.000 0.208 185 D C -0.072 175.749 176.300 -0.799 0.000 0.960 185 D CA 1.816 55.428 54.000 -0.648 0.000 0.861 185 D CB 0.351 40.532 40.800 -1.032 0.000 0.985 185 D HN 0.546 nan 8.370 nan 0.000 0.493 186 F N -0.302 119.673 119.950 0.042 0.000 2.692 186 F HA 0.647 5.187 4.527 0.023 0.000 0.320 186 F C -0.433 175.382 175.800 0.025 0.000 1.123 186 F CA -1.343 56.675 58.000 0.030 0.000 0.961 186 F CB 1.744 40.764 39.000 0.033 0.000 1.383 186 F HN -0.260 nan 8.300 nan 0.000 0.483 187 A N 0.847 123.808 122.820 0.236 0.000 2.574 187 A HA 0.770 5.103 4.320 0.023 0.000 0.297 187 A C -1.970 175.671 177.584 0.095 0.000 1.062 187 A CA -0.582 51.531 52.037 0.126 0.000 0.686 187 A CB 1.448 20.478 19.000 0.049 0.000 1.285 187 A HN 0.579 nan 8.150 nan 0.000 0.403 188 I N 2.022 122.633 120.570 0.069 0.000 2.321 188 I HA 0.530 4.714 4.170 0.023 0.000 0.291 188 I C 0.794 176.929 176.117 0.030 0.000 0.998 188 I CA 0.225 61.549 61.300 0.041 0.000 1.227 188 I CB 0.808 38.825 38.000 0.028 0.000 1.368 188 I HN 0.815 nan 8.210 nan 0.000 0.466 189 G N 3.922 112.737 108.800 0.025 0.000 2.537 189 G HA2 0.729 4.703 3.960 0.023 0.000 0.308 189 G HA3 0.729 4.703 3.960 0.023 0.000 0.308 189 G C -0.571 174.352 174.900 0.039 0.000 1.237 189 G CA -0.671 44.443 45.100 0.023 0.000 0.968 189 G HN 0.704 nan 8.290 nan 0.000 0.481 190 G N -0.837 107.997 108.800 0.056 0.000 2.454 190 G HA2 0.561 4.535 3.960 0.023 0.000 0.329 190 G HA3 0.561 4.535 3.960 0.023 0.000 0.329 190 G C -1.617 173.337 174.900 0.091 0.000 1.177 190 G CA -0.315 44.859 45.100 0.124 0.000 0.951 190 G HN 0.465 nan 8.290 nan 0.000 0.485 191 D N 0.155 120.633 120.400 0.129 0.000 2.763 191 D HA 0.313 4.967 4.640 0.023 0.000 0.235 191 D C -0.053 176.304 176.300 0.094 0.000 1.334 191 D CA -0.367 53.651 54.000 0.030 0.000 0.950 191 D CB 2.571 43.318 40.800 -0.089 0.000 1.433 191 D HN 0.195 nan 8.370 nan 0.000 0.580 192 Q N 1.274 121.118 119.800 0.073 0.000 2.422 192 Q HA 0.335 4.688 4.340 0.023 0.000 0.255 192 Q C 1.364 177.494 176.000 0.217 0.000 0.864 192 Q CA 0.496 56.401 55.803 0.170 0.000 0.968 192 Q CB 1.228 30.040 28.738 0.124 0.000 1.130 192 Q HN 0.514 nan 8.270 nan 0.000 0.556 193 G N -1.764 107.032 108.800 -0.006 0.000 3.815 193 G HA2 0.465 4.438 3.960 0.023 0.000 0.265 193 G HA3 0.465 4.438 3.960 0.023 0.000 0.265 193 G C 0.555 175.230 174.900 -0.375 0.000 1.026 193 G CA 0.072 44.974 45.100 -0.329 0.000 0.868 193 G HN 0.346 nan 8.290 nan 0.000 0.476 194 G N -0.650 108.006 108.800 -0.239 0.000 2.276 194 G HA2 0.188 4.162 3.960 0.023 0.000 0.177 194 G HA3 0.188 4.162 3.960 0.023 0.000 0.177 194 G C 1.186 175.978 174.900 -0.180 0.000 1.017 194 G CA 0.778 45.737 45.100 -0.234 0.000 0.750 194 G HN 1.045 nan 8.290 nan 0.000 0.506 195 A N -0.072 122.672 122.820 -0.126 0.000 2.131 195 A HA 0.211 4.545 4.320 0.023 0.000 0.220 195 A C 2.173 179.713 177.584 -0.073 0.000 1.158 195 A CA 1.781 53.768 52.037 -0.083 0.000 0.665 195 A CB -0.251 18.727 19.000 -0.037 0.000 0.795 195 A HN 0.654 nan 8.150 nan 0.000 0.460 196 I N -2.126 118.389 120.570 -0.091 0.000 2.628 196 I HA -0.069 4.114 4.170 0.023 0.000 0.255 196 I C 2.661 178.713 176.117 -0.109 0.000 1.119 196 I CA 0.536 61.789 61.300 -0.079 0.000 1.448 196 I CB -0.144 37.809 38.000 -0.078 0.000 1.133 196 I HN 0.209 nan 8.210 nan 0.000 0.438 197 R N 0.717 121.124 120.500 -0.155 0.000 2.073 197 R HA 0.005 4.359 4.340 0.023 0.000 0.229 197 R C 2.261 178.422 176.300 -0.232 0.000 1.120 197 R CA 1.182 57.171 56.100 -0.186 0.000 0.967 197 R CB -0.183 29.989 30.300 -0.213 0.000 0.862 197 R HN 0.261 nan 8.270 nan 0.000 0.436 198 I N 1.467 121.881 120.570 -0.260 0.000 2.113 198 I HA -0.209 3.974 4.170 0.023 0.000 0.238 198 I C -0.713 175.214 176.117 -0.316 0.000 1.070 198 I CA 1.307 62.382 61.300 -0.376 0.000 1.332 198 I CB -1.151 36.651 38.000 -0.330 0.000 1.044 198 I HN 0.115 nan 8.210 nan 0.000 0.402 199 P HA -0.177 nan 4.420 nan 0.000 0.217 199 P C 1.406 178.709 177.300 0.006 0.000 1.150 199 P CA 2.049 65.162 63.100 0.022 0.000 0.832 199 P CB -0.022 31.695 31.700 0.028 0.000 0.787 200 A N 0.966 123.750 122.820 -0.060 0.000 1.865 200 A HA -0.116 4.217 4.320 0.023 0.000 0.217 200 A C 2.567 180.096 177.584 -0.093 0.000 1.191 200 A CA 2.512 54.514 52.037 -0.058 0.000 0.623 200 A CB -1.643 17.310 19.000 -0.079 0.000 0.826 200 A HN 0.231 nan 8.150 nan 0.000 0.444 201 A N -1.085 121.630 122.820 -0.176 0.000 1.883 201 A HA -0.119 4.214 4.320 0.023 0.000 0.217 201 A C 2.132 179.650 177.584 -0.110 0.000 1.186 201 A CA 1.574 53.476 52.037 -0.224 0.000 0.624 201 A CB -0.921 17.863 19.000 -0.360 0.000 0.822 201 A HN 0.565 nan 8.150 nan 0.000 0.444 202 F N -0.708 119.173 119.950 -0.115 0.000 2.171 202 F HA -0.238 4.302 4.527 0.022 0.000 0.300 202 F C 2.078 177.825 175.800 -0.089 0.000 1.090 202 F CA 0.757 58.703 58.000 -0.090 0.000 1.293 202 F CB -0.082 38.895 39.000 -0.038 0.000 1.013 202 F HN 0.238 nan 8.300 nan 0.000 0.486 203 C N 0.077 119.473 119.300 0.159 0.000 2.673 203 C HA 0.349 4.823 4.460 0.023 0.000 0.274 203 C C 1.626 176.714 174.990 0.164 0.000 1.276 203 C CA 0.415 59.545 59.018 0.187 0.000 1.701 203 C CB -0.945 26.915 27.740 0.199 0.000 1.836 203 C HN 0.739 nan 8.230 nan 0.000 0.596 204 G N 1.475 110.241 108.800 -0.057 0.000 2.221 204 G HA2 -0.156 3.817 3.960 0.023 0.000 0.265 204 G HA3 -0.156 3.817 3.960 0.023 0.000 0.265 204 G C -0.019 174.831 174.900 -0.084 0.000 1.041 204 G CA 0.665 45.675 45.100 -0.150 0.000 0.807 204 G HN 0.916 nan 8.290 nan 0.000 0.502 205 V N -3.974 115.906 119.914 -0.058 0.000 3.182 205 V HA 0.910 5.043 4.120 0.023 0.000 0.311 205 V C 0.645 176.694 176.094 -0.076 0.000 1.221 205 V CA -1.240 61.041 62.300 -0.031 0.000 1.060 205 V CB 1.897 33.740 31.823 0.034 0.000 1.164 205 V HN 0.500 nan 8.190 nan 0.000 0.466 206 V N 0.749 120.642 119.914 -0.035 0.000 2.481 206 V HA 0.796 4.930 4.120 0.023 0.000 0.286 206 V C 0.715 176.800 176.094 -0.016 0.000 1.042 206 V CA 0.613 62.893 62.300 -0.034 0.000 0.928 206 V CB 0.976 32.795 31.823 -0.006 0.000 0.986 206 V HN 1.296 nan 8.190 nan 0.000 0.462 207 G N 2.116 110.897 108.800 -0.031 0.000 2.723 207 G HA2 0.544 4.518 3.960 0.023 0.000 0.295 207 G HA3 0.544 4.518 3.960 0.023 0.000 0.295 207 G C -1.644 173.259 174.900 0.006 0.000 1.464 207 G CA -0.455 44.632 45.100 -0.021 0.000 1.012 207 G HN 0.774 nan 8.290 nan 0.000 0.522 208 H N 1.496 120.507 119.070 -0.097 0.000 2.587 208 H HA 0.460 5.031 4.556 0.024 0.000 0.325 208 H C -0.312 174.946 175.328 -0.116 0.000 1.012 208 H CA -0.633 55.342 56.048 -0.122 0.000 1.213 208 H CB 1.519 31.204 29.762 -0.129 0.000 1.431 208 H HN 0.370 nan 8.280 nan 0.000 0.492 209 K N 7.424 127.510 120.400 -0.524 0.000 2.266 209 K HA 0.294 4.628 4.320 0.023 0.000 0.274 209 K C -2.717 173.463 176.600 -0.699 0.000 1.090 209 K CA -1.921 54.096 56.287 -0.450 0.000 0.925 209 K CB 0.576 32.829 32.500 -0.412 0.000 1.225 209 K HN 0.441 nan 8.250 nan 0.000 0.458 210 P HA 0.014 nan 4.420 nan 0.000 0.274 210 P C -0.602 176.581 177.300 -0.195 0.000 1.260 210 P CA -0.332 62.537 63.100 -0.384 0.000 0.793 210 P CB 0.375 32.019 31.700 -0.093 0.000 1.048 211 T N 0.952 115.379 114.554 -0.212 0.000 2.934 211 T HA -0.010 4.354 4.350 0.023 0.000 0.306 211 T C 0.170 174.775 174.700 -0.159 0.000 1.042 211 T CA 0.285 62.175 62.100 -0.351 0.000 1.145 211 T CB -0.551 67.861 68.868 -0.760 0.000 0.982 211 T HN 0.171 nan 8.240 nan 0.000 0.544 212 F N 2.669 122.500 119.950 -0.198 0.000 2.608 212 F HA 0.348 4.888 4.527 0.021 0.000 0.380 212 F C 1.399 177.145 175.800 -0.090 0.000 1.083 212 F CA 1.089 58.981 58.000 -0.181 0.000 1.266 212 F CB -0.247 38.673 39.000 -0.134 0.000 1.076 212 F HN 0.802 nan 8.300 nan 0.000 0.574 213 G N 4.408 112.737 108.800 -0.785 0.000 2.225 213 G HA2 -0.359 3.615 3.960 0.023 0.000 0.254 213 G HA3 -0.359 3.615 3.960 0.023 0.000 0.254 213 G C 0.718 175.596 174.900 -0.035 0.000 0.988 213 G CA 0.387 45.222 45.100 -0.443 0.000 0.625 213 G HN 0.835 nan 8.290 nan 0.000 0.527 214 L N 0.996 122.261 121.223 0.070 0.000 2.005 214 L HA 0.391 4.745 4.340 0.023 0.000 0.207 214 L C 1.455 178.376 176.870 0.085 0.000 1.072 214 L CA 1.743 56.707 54.840 0.208 0.000 0.744 214 L CB -0.203 41.990 42.059 0.225 0.000 0.895 214 L HN 0.234 nan 8.230 nan 0.000 0.433 215 V N 2.853 122.782 119.914 0.025 0.000 2.407 215 V HA 0.313 4.447 4.120 0.023 0.000 0.278 215 V C -2.136 173.956 176.094 -0.003 0.000 1.037 215 V CA -1.619 60.692 62.300 0.019 0.000 0.900 215 V CB 0.618 32.454 31.823 0.022 0.000 0.983 215 V HN 0.243 nan 8.190 nan 0.000 0.459 216 P HA -0.017 nan 4.420 nan 0.000 0.268 216 P C -0.290 177.025 177.300 0.024 0.000 1.204 216 P CA 0.161 63.263 63.100 0.004 0.000 0.768 216 P CB 0.730 32.434 31.700 0.006 0.000 0.842 217 Y N 2.176 122.421 120.300 -0.091 0.000 2.523 217 Y HA 0.010 4.573 4.550 0.023 0.000 0.279 217 Y C 0.721 176.592 175.900 -0.048 0.000 1.139 217 Y CA 0.488 58.540 58.100 -0.080 0.000 1.296 217 Y CB -0.319 38.068 38.460 -0.122 0.000 1.045 217 Y HN 0.228 nan 8.280 nan 0.000 0.538 218 T N 1.377 115.942 114.554 0.019 0.000 2.656 218 T HA 0.202 4.565 4.350 0.023 0.000 0.258 218 T C 1.216 175.901 174.700 -0.023 0.000 1.020 218 T CA 1.516 63.632 62.100 0.026 0.000 1.191 218 T CB -0.582 68.311 68.868 0.041 0.000 1.004 218 T HN 0.737 nan 8.240 nan 0.000 0.498 219 G N 1.881 110.699 108.800 0.030 0.000 2.213 219 G HA2 -0.012 3.961 3.960 0.023 0.000 0.226 219 G HA3 -0.012 3.961 3.960 0.023 0.000 0.226 219 G C 0.189 175.069 174.900 -0.034 0.000 0.992 219 G CA -0.138 44.988 45.100 0.043 0.000 0.632 219 G HN 1.190 nan 8.290 nan 0.000 0.511 220 A N -0.027 122.628 122.820 -0.276 0.000 2.303 220 A HA 0.730 5.063 4.320 0.023 0.000 0.317 220 A C -0.227 177.262 177.584 -0.157 0.000 1.149 220 A CA -0.520 51.289 52.037 -0.380 0.000 0.822 220 A CB 0.668 19.023 19.000 -1.074 0.000 1.131 220 A HN 1.141 nan 8.150 nan 0.000 0.493 221 F N 3.568 123.452 119.950 -0.111 0.000 2.533 221 F HA 0.344 4.883 4.527 0.020 0.000 0.378 221 F C -1.954 173.871 175.800 0.041 0.000 1.070 221 F CA -1.387 56.556 58.000 -0.094 0.000 1.172 221 F CB 0.537 39.468 39.000 -0.115 0.000 1.085 221 F HN 0.321 nan 8.300 nan 0.000 0.552 222 P HA 0.214 nan 4.420 nan 0.000 0.274 222 P C 0.284 177.475 177.300 -0.181 0.000 1.246 222 P CA 0.073 63.020 63.100 -0.254 0.000 0.795 222 P CB 1.314 32.715 31.700 -0.499 0.000 1.006 223 I N -1.293 119.233 120.570 -0.074 0.000 3.650 223 I HA 0.217 4.400 4.170 0.023 0.000 0.261 223 I C 0.450 176.580 176.117 0.022 0.000 1.154 223 I CA 0.417 61.753 61.300 0.060 0.000 1.418 223 I CB 0.433 38.520 38.000 0.145 0.000 1.539 223 I HN 0.259 nan 8.210 nan 0.000 0.449 224 E N 1.353 121.541 120.200 -0.020 0.000 2.361 224 E HA 0.231 4.594 4.350 0.023 0.000 0.270 224 E C 0.091 176.660 176.600 -0.051 0.000 0.911 224 E CA -0.226 56.169 56.400 -0.009 0.000 0.818 224 E CB 1.939 31.653 29.700 0.024 0.000 1.332 224 E HN 0.079 nan 8.360 nan 0.000 0.402 225 R N 1.031 121.496 120.500 -0.058 0.000 2.159 225 R HA -0.224 4.129 4.340 0.023 0.000 0.252 225 R C 1.724 178.049 176.300 0.042 0.000 1.144 225 R CA 2.804 58.871 56.100 -0.054 0.000 0.961 225 R CB -0.135 30.160 30.300 -0.009 0.000 0.877 225 R HN 0.524 nan 8.270 nan 0.000 0.444 226 T N -1.960 112.602 114.554 0.013 0.000 3.160 226 T HA -0.008 4.356 4.350 0.023 0.000 0.257 226 T C 1.529 176.021 174.700 -0.347 0.000 1.147 226 T CA 0.872 62.887 62.100 -0.141 0.000 1.064 226 T CB -0.227 68.555 68.868 -0.143 0.000 0.949 226 T HN 0.550 nan 8.240 nan 0.000 0.526 227 I N -2.967 117.565 120.570 -0.064 0.000 4.225 227 I HA 0.453 4.637 4.170 0.023 0.000 0.327 227 I C -0.983 175.278 176.117 0.241 0.000 1.422 227 I CA -0.780 60.573 61.300 0.089 0.000 1.150 227 I CB 0.367 38.471 38.000 0.174 0.000 1.192 227 I HN -0.176 nan 8.210 nan 0.000 0.440 228 D N 3.414 123.828 120.400 0.023 0.000 2.390 228 D HA 0.308 4.962 4.640 0.023 0.000 0.249 228 D C -0.319 175.872 176.300 -0.182 0.000 1.144 228 D CA 0.734 54.568 54.000 -0.276 0.000 0.880 228 D CB 0.596 40.727 40.800 -1.116 0.000 1.182 228 D HN 0.397 nan 8.370 nan 0.000 0.451 229 H N 1.298 120.406 119.070 0.064 0.000 2.894 229 H HA 0.407 4.977 4.556 0.022 0.000 0.367 229 H C -0.414 175.075 175.328 0.270 0.000 1.144 229 H CA -0.722 55.426 56.048 0.166 0.000 1.180 229 H CB 2.032 31.849 29.762 0.091 0.000 1.758 229 H HN 0.120 nan 8.280 nan 0.000 0.541 230 L N 1.410 122.825 121.223 0.318 0.000 2.342 230 L HA 0.717 5.071 4.340 0.023 0.000 0.271 230 L C 0.350 177.272 176.870 0.086 0.000 1.008 230 L CA -0.582 54.350 54.840 0.154 0.000 0.818 230 L CB 2.237 44.317 42.059 0.035 0.000 1.296 230 L HN 0.830 nan 8.230 nan 0.000 0.427 231 G N 1.908 110.735 108.800 0.045 0.000 2.600 231 G HA2 0.579 4.552 3.960 0.023 0.000 0.293 231 G HA3 0.579 4.552 3.960 0.023 0.000 0.293 231 G C -3.259 171.654 174.900 0.022 0.000 1.408 231 G CA -0.633 44.480 45.100 0.022 0.000 0.782 231 G HN 0.275 nan 8.290 nan 0.000 0.482 232 P HA 0.602 nan 4.420 nan 0.000 0.290 232 P C -0.925 176.405 177.300 0.052 0.000 1.275 232 P CA -0.487 62.634 63.100 0.035 0.000 0.841 232 P CB 2.184 33.887 31.700 0.005 0.000 1.042 233 I N 2.339 122.951 120.570 0.070 0.000 2.439 233 I HA 0.359 4.543 4.170 0.023 0.000 0.285 233 I C 0.539 176.721 176.117 0.110 0.000 1.021 233 I CA -0.161 61.176 61.300 0.061 0.000 1.091 233 I CB 2.108 40.130 38.000 0.036 0.000 1.242 233 I HN 0.421 nan 8.210 nan 0.000 0.439 234 T N 1.286 115.901 114.554 0.103 0.000 2.804 234 T HA 0.443 4.807 4.350 0.023 0.000 0.290 234 T C 0.546 175.293 174.700 0.078 0.000 1.099 234 T CA -0.794 61.391 62.100 0.143 0.000 1.011 234 T CB 2.304 71.312 68.868 0.233 0.000 1.291 234 T HN 0.515 nan 8.240 nan 0.000 0.523 235 R N -0.061 120.479 120.500 0.067 0.000 2.161 235 R HA 0.188 4.542 4.340 0.023 0.000 0.213 235 R C 0.590 176.929 176.300 0.065 0.000 1.055 235 R CA 1.166 57.297 56.100 0.052 0.000 0.996 235 R CB -0.114 30.201 30.300 0.026 0.000 0.901 235 R HN 0.914 nan 8.270 nan 0.000 0.456 236 T N -4.819 109.788 114.554 0.089 0.000 2.896 236 T HA 0.232 4.596 4.350 0.023 0.000 0.297 236 T C 0.943 175.698 174.700 0.092 0.000 1.108 236 T CA -0.965 61.190 62.100 0.091 0.000 1.004 236 T CB 1.870 70.806 68.868 0.112 0.000 1.159 236 T HN -0.216 nan 8.240 nan 0.000 0.499 237 V N 1.249 121.206 119.914 0.072 0.000 2.407 237 V HA -0.180 3.953 4.120 0.023 0.000 0.248 237 V C 2.580 178.700 176.094 0.044 0.000 1.055 237 V CA 2.161 64.482 62.300 0.036 0.000 1.049 237 V CB -1.251 30.591 31.823 0.032 0.000 0.662 237 V HN 1.034 nan 8.190 nan 0.000 0.455 238 H N 0.415 119.502 119.070 0.029 0.000 2.319 238 H HA -0.186 4.384 4.556 0.023 0.000 0.299 238 H C 2.070 177.433 175.328 0.057 0.000 1.092 238 H CA 2.132 58.203 56.048 0.039 0.000 1.302 238 H CB -0.073 29.718 29.762 0.048 0.000 1.373 238 H HN 0.395 nan 8.280 nan 0.000 0.497 239 D N 0.455 120.985 120.400 0.216 0.000 2.144 239 D HA -0.071 4.582 4.640 0.023 0.000 0.199 239 D C 2.270 178.605 176.300 0.060 0.000 0.984 239 D CA 1.157 55.305 54.000 0.248 0.000 0.834 239 D CB -0.437 40.649 40.800 0.477 0.000 0.955 239 D HN 0.489 nan 8.370 nan 0.000 0.465 240 A N 0.989 123.825 122.820 0.027 0.000 1.902 240 A HA -0.057 4.276 4.320 0.023 0.000 0.217 240 A C 2.304 179.794 177.584 -0.157 0.000 1.181 240 A CA 2.150 54.156 52.037 -0.051 0.000 0.623 240 A CB -0.649 18.313 19.000 -0.064 0.000 0.818 240 A HN 0.236 nan 8.150 nan 0.000 0.443 241 A N -0.784 121.924 122.820 -0.187 0.000 1.930 241 A HA 0.042 4.376 4.320 0.023 0.000 0.217 241 A C 2.098 179.591 177.584 -0.151 0.000 1.175 241 A CA 1.613 53.533 52.037 -0.196 0.000 0.627 241 A CB -0.513 18.385 19.000 -0.170 0.000 0.815 241 A HN 0.596 nan 8.150 nan 0.000 0.443 242 L N -0.757 120.333 121.223 -0.222 0.000 2.027 242 L HA -0.080 4.273 4.340 0.023 0.000 0.206 242 L C 2.471 179.237 176.870 -0.174 0.000 1.074 242 L CA 1.964 56.693 54.840 -0.185 0.000 0.745 242 L CB -0.494 41.462 42.059 -0.172 0.000 0.898 242 L HN 0.411 nan 8.230 nan 0.000 0.433 243 M N -1.572 117.878 119.600 -0.249 0.000 2.108 243 M HA -0.229 4.264 4.480 0.023 0.000 0.261 243 M C 2.213 178.430 176.300 -0.138 0.000 1.066 243 M CA 1.744 56.881 55.300 -0.271 0.000 1.107 243 M CB -0.391 32.032 32.600 -0.296 0.000 1.356 243 M HN 0.380 nan 8.290 nan 0.000 0.406 244 L N 0.393 121.543 121.223 -0.122 0.000 2.079 244 L HA -0.193 4.160 4.340 0.023 0.000 0.210 244 L C 2.633 179.538 176.870 0.058 0.000 1.081 244 L CA 2.234 57.011 54.840 -0.104 0.000 0.752 244 L CB -0.640 41.213 42.059 -0.343 0.000 0.896 244 L HN 0.394 nan 8.230 nan 0.000 0.433 245 S N -2.436 113.345 115.700 0.134 0.000 2.442 245 S HA -0.113 4.371 4.470 0.023 0.000 0.236 245 S C 1.781 176.421 174.600 0.067 0.000 1.007 245 S CA 1.230 59.539 58.200 0.181 0.000 0.965 245 S CB -0.776 62.485 63.200 0.101 0.000 0.773 245 S HN 0.244 nan 8.310 nan 0.000 0.504 246 V N 2.265 122.183 119.914 0.006 0.000 2.599 246 V HA 0.137 4.270 4.120 0.023 0.000 0.245 246 V C 2.287 178.379 176.094 -0.003 0.000 1.046 246 V CA 1.248 63.539 62.300 -0.015 0.000 1.065 246 V CB -0.418 31.369 31.823 -0.061 0.000 0.703 246 V HN 0.742 nan 8.190 nan 0.000 0.464 247 I N -1.082 119.486 120.570 -0.005 0.000 3.228 247 I HA 0.394 4.578 4.170 0.023 0.000 0.279 247 I C 1.286 177.421 176.117 0.030 0.000 1.221 247 I CA 0.212 61.514 61.300 0.002 0.000 1.458 247 I CB -0.310 37.681 38.000 -0.015 0.000 1.105 247 I HN 0.087 nan 8.210 nan 0.000 0.445 248 A N 1.818 124.678 122.820 0.066 0.000 2.425 248 A HA 0.552 4.886 4.320 0.023 0.000 0.242 248 A C 0.680 178.316 177.584 0.086 0.000 1.077 248 A CA 0.669 52.769 52.037 0.104 0.000 0.781 248 A CB -0.600 18.530 19.000 0.217 0.000 1.020 248 A HN 0.950 nan 8.150 nan 0.000 0.494 249 G N 0.720 109.568 108.800 0.080 0.000 2.697 249 G HA2 0.091 4.065 3.960 0.023 0.000 0.684 249 G HA3 0.091 4.065 3.960 0.023 0.000 0.684 249 G C -0.532 174.384 174.900 0.027 0.000 1.274 249 G CA -0.727 44.401 45.100 0.048 0.000 0.806 249 G HN 0.936 nan 8.290 nan 0.000 0.644 250 R N 0.505 121.013 120.500 0.014 0.000 2.698 250 R HA 0.285 4.639 4.340 0.023 0.000 0.266 250 R C 0.879 177.184 176.300 0.009 0.000 1.026 250 R CA 0.889 56.993 56.100 0.007 0.000 1.102 250 R CB 0.439 30.737 30.300 -0.002 0.000 0.978 250 R HN 0.740 nan 8.270 nan 0.000 0.436 251 D N 0.425 120.832 120.400 0.011 0.000 2.500 251 D HA 0.078 4.732 4.640 0.023 0.000 0.217 251 D C 0.954 177.266 176.300 0.019 0.000 1.159 251 D CA 0.365 54.374 54.000 0.015 0.000 0.828 251 D CB 0.542 41.352 40.800 0.017 0.000 1.039 251 D HN 0.712 nan 8.370 nan 0.000 0.512 252 G N 0.859 109.670 108.800 0.019 0.000 2.155 252 G HA2 -0.374 3.599 3.960 0.023 0.000 0.257 252 G HA3 -0.374 3.599 3.960 0.023 0.000 0.257 252 G C 0.634 175.557 174.900 0.037 0.000 0.983 252 G CA 0.642 45.757 45.100 0.024 0.000 0.676 252 G HN 0.512 nan 8.290 nan 0.000 0.528 253 N N -0.706 118.019 118.700 0.042 0.000 2.193 253 N HA 0.171 4.924 4.740 0.023 0.000 0.210 253 N C -0.362 175.187 175.510 0.065 0.000 1.215 253 N CA -0.038 53.049 53.050 0.061 0.000 0.901 253 N CB 0.704 39.229 38.487 0.063 0.000 1.060 253 N HN 0.220 nan 8.380 nan 0.000 0.508 254 D N 1.545 121.971 120.400 0.043 0.000 2.427 254 D HA 0.154 4.808 4.640 0.023 0.000 0.226 254 D C -1.632 174.679 176.300 0.018 0.000 1.076 254 D CA -2.455 51.563 54.000 0.030 0.000 0.849 254 D CB 1.535 42.343 40.800 0.013 0.000 1.052 254 D HN 0.013 nan 8.370 nan 0.000 0.515 255 P HA -0.142 nan 4.420 nan 0.000 0.223 255 P C 0.916 178.237 177.300 0.034 0.000 1.144 255 P CA 0.634 63.761 63.100 0.046 0.000 0.783 255 P CB 0.448 32.189 31.700 0.068 0.000 0.771 256 R N -0.408 120.081 120.500 -0.018 0.000 2.148 256 R HA 0.009 4.363 4.340 0.023 0.000 0.223 256 R C 1.191 177.421 176.300 -0.118 0.000 1.088 256 R CA 0.576 56.628 56.100 -0.080 0.000 0.985 256 R CB -0.316 29.779 30.300 -0.341 0.000 0.880 256 R HN 0.449 nan 8.270 nan 0.000 0.451 257 Q N 0.974 120.727 119.800 -0.079 0.000 2.314 257 Q HA 0.359 4.712 4.340 0.023 0.000 0.257 257 Q C -0.647 175.364 176.000 0.018 0.000 0.975 257 Q CA -0.527 55.255 55.803 -0.035 0.000 0.933 257 Q CB 1.668 30.389 28.738 -0.029 0.000 1.195 257 Q HN 0.170 nan 8.270 nan 0.000 0.426 258 A N 2.621 125.471 122.820 0.050 0.000 2.386 258 A HA 0.030 4.364 4.320 0.023 0.000 0.248 258 A C 0.456 178.040 177.584 0.000 0.000 1.082 258 A CA -0.452 51.610 52.037 0.042 0.000 0.789 258 A CB 0.359 19.400 19.000 0.069 0.000 1.025 258 A HN 0.758 nan 8.150 nan 0.000 0.490 259 D N 0.732 121.131 120.400 -0.002 0.000 2.190 259 D HA -0.152 4.502 4.640 0.023 0.000 0.200 259 D C 2.188 178.462 176.300 -0.044 0.000 0.992 259 D CA 2.185 56.175 54.000 -0.016 0.000 0.854 259 D CB -0.117 40.678 40.800 -0.008 0.000 0.936 259 D HN 0.637 nan 8.370 nan 0.000 0.462 260 S N -0.530 115.131 115.700 -0.065 0.000 2.561 260 S HA 0.018 4.502 4.470 0.023 0.000 0.225 260 S C 0.962 175.440 174.600 -0.205 0.000 0.977 260 S CA -0.299 57.833 58.200 -0.113 0.000 0.926 260 S CB -0.132 63.002 63.200 -0.109 0.000 0.769 260 S HN -0.068 nan 8.310 nan 0.000 0.533 261 V N 3.071 122.862 119.914 -0.205 0.000 2.599 261 V HA 0.213 4.347 4.120 0.023 0.000 0.300 261 V C 0.101 176.089 176.094 -0.178 0.000 1.034 261 V CA 0.493 62.621 62.300 -0.287 0.000 1.115 261 V CB 0.236 31.991 31.823 -0.112 0.000 0.934 261 V HN 0.451 nan 8.190 nan 0.000 0.485 262 E N 2.587 122.669 120.200 -0.196 0.000 2.331 262 E HA 0.578 4.941 4.350 0.023 0.000 0.275 262 E C -0.421 176.166 176.600 -0.021 0.000 0.895 262 E CA -0.697 55.649 56.400 -0.090 0.000 0.753 262 E CB 2.232 31.872 29.700 -0.101 0.000 1.216 262 E HN 0.704 nan 8.360 nan 0.000 0.434 263 A N 1.715 124.544 122.820 0.015 0.000 2.477 263 A HA 0.566 4.900 4.320 0.023 0.000 0.246 263 A C 0.687 178.230 177.584 -0.069 0.000 1.078 263 A CA 0.608 52.685 52.037 0.067 0.000 0.770 263 A CB 0.274 19.308 19.000 0.056 0.000 1.011 263 A HN 0.544 nan 8.150 nan 0.000 0.494 264 G N 0.093 108.789 108.800 -0.174 0.000 2.531 264 G HA2 0.454 4.428 3.960 0.023 0.000 0.281 264 G HA3 0.454 4.428 3.960 0.023 0.000 0.281 264 G C -0.803 173.574 174.900 -0.870 0.000 1.382 264 G CA -0.222 44.626 45.100 -0.420 0.000 1.045 264 G HN 0.658 nan 8.290 nan 0.000 0.533 265 D N -0.598 119.407 120.400 -0.658 0.000 2.454 265 D HA 0.259 4.913 4.640 0.023 0.000 0.225 265 D C -0.283 175.743 176.300 -0.457 0.000 1.081 265 D CA -0.514 53.183 54.000 -0.505 0.000 0.864 265 D CB 0.691 41.358 40.800 -0.222 0.000 1.040 265 D HN 0.358 nan 8.370 nan 0.000 0.517 266 Y N 2.301 122.581 120.300 -0.032 0.000 2.457 266 Y HA 0.202 4.766 4.550 0.023 0.000 0.263 266 Y C 1.620 177.477 175.900 -0.072 0.000 1.164 266 Y CA -0.185 57.881 58.100 -0.057 0.000 1.274 266 Y CB 0.629 39.038 38.460 -0.085 0.000 1.097 266 Y HN 0.271 nan 8.280 nan 0.000 0.523 267 L N -2.226 119.001 121.223 0.007 0.000 2.526 267 L HA 0.039 4.393 4.340 0.023 0.000 0.210 267 L C 2.197 179.077 176.870 0.016 0.000 1.048 267 L CA 0.245 55.086 54.840 0.001 0.000 0.852 267 L CB -0.295 41.755 42.059 -0.014 0.000 1.128 267 L HN -0.065 nan 8.230 nan 0.000 0.482 268 S N 0.127 115.823 115.700 -0.006 0.000 2.372 268 S HA -0.206 4.278 4.470 0.023 0.000 0.227 268 S C 1.679 176.289 174.600 0.016 0.000 1.044 268 S CA 2.290 60.492 58.200 0.002 0.000 1.050 268 S CB -0.394 62.795 63.200 -0.017 0.000 0.901 268 S HN 0.629 nan 8.310 nan 0.000 0.447 269 T N -0.860 113.704 114.554 0.016 0.000 3.214 269 T HA 0.354 4.718 4.350 0.023 0.000 0.264 269 T C 1.189 175.911 174.700 0.037 0.000 1.012 269 T CA -0.252 61.863 62.100 0.025 0.000 0.901 269 T CB 0.036 68.917 68.868 0.021 0.000 1.070 269 T HN 0.105 nan 8.240 nan 0.000 0.561 270 L N 1.485 122.735 121.223 0.045 0.000 2.083 270 L HA 0.066 4.419 4.340 0.023 0.000 0.209 270 L C 1.327 178.232 176.870 0.060 0.000 1.083 270 L CA 1.841 56.714 54.840 0.054 0.000 0.752 270 L CB -0.272 41.825 42.059 0.063 0.000 0.899 270 L HN 0.224 nan 8.230 nan 0.000 0.433 271 D N -1.097 119.340 120.400 0.060 0.000 2.363 271 D HA 0.114 4.767 4.640 0.023 0.000 0.214 271 D C 0.487 176.812 176.300 0.040 0.000 1.093 271 D CA 0.083 54.115 54.000 0.053 0.000 0.837 271 D CB 0.360 41.192 40.800 0.054 0.000 0.948 271 D HN 0.247 nan 8.370 nan 0.000 0.507 272 S N 1.839 117.561 115.700 0.037 0.000 2.573 272 S HA 0.031 4.514 4.470 0.023 0.000 0.277 272 S C 0.243 174.863 174.600 0.033 0.000 1.346 272 S CA -0.521 57.697 58.200 0.031 0.000 1.034 272 S CB 0.825 64.042 63.200 0.028 0.000 0.879 272 S HN 0.261 nan 8.310 nan 0.000 0.528 273 D N 0.222 120.640 120.400 0.029 0.000 2.399 273 D HA 0.059 4.713 4.640 0.023 0.000 0.241 273 D C 0.798 177.118 176.300 0.033 0.000 1.133 273 D CA -0.655 53.364 54.000 0.031 0.000 0.890 273 D CB 0.502 41.318 40.800 0.026 0.000 1.201 273 D HN 0.265 nan 8.370 nan 0.000 0.432 274 V N -2.327 117.610 119.914 0.038 0.000 3.177 274 V HA 0.167 4.300 4.120 0.023 0.000 0.342 274 V C 0.301 176.419 176.094 0.039 0.000 1.379 274 V CA -0.748 61.576 62.300 0.040 0.000 1.191 274 V CB -0.518 31.334 31.823 0.049 0.000 1.167 274 V HN 0.431 nan 8.190 nan 0.000 0.471 275 D N 2.139 122.559 120.400 0.033 0.000 2.434 275 D HA 0.353 5.006 4.640 0.023 0.000 0.252 275 D C 1.410 177.727 176.300 0.028 0.000 1.185 275 D CA 2.091 56.109 54.000 0.031 0.000 0.886 275 D CB 1.151 41.966 40.800 0.026 0.000 1.148 275 D HN 0.675 nan 8.370 nan 0.000 0.483 276 G N 3.176 111.993 108.800 0.029 0.000 2.194 276 G HA2 -0.242 3.731 3.960 0.023 0.000 0.236 276 G HA3 -0.242 3.731 3.960 0.023 0.000 0.236 276 G C 0.588 175.504 174.900 0.027 0.000 0.987 276 G CA -0.231 44.883 45.100 0.024 0.000 0.635 276 G HN 0.508 nan 8.290 nan 0.000 0.520 277 L N 1.149 122.393 121.223 0.036 0.000 2.416 277 L HA 0.369 4.723 4.340 0.023 0.000 0.272 277 L C 1.073 177.979 176.870 0.061 0.000 1.161 277 L CA -0.288 54.578 54.840 0.043 0.000 0.845 277 L CB 0.572 42.658 42.059 0.046 0.000 1.119 277 L HN 0.163 nan 8.230 nan 0.000 0.464 278 R N 4.311 124.855 120.500 0.073 0.000 2.221 278 R HA 0.502 4.856 4.340 0.023 0.000 0.327 278 R C -0.721 175.732 176.300 0.256 0.000 1.033 278 R CA -0.302 55.882 56.100 0.140 0.000 0.887 278 R CB 0.923 31.236 30.300 0.022 0.000 1.057 278 R HN 0.500 nan 8.270 nan 0.000 0.455 279 I N 1.818 122.541 120.570 0.255 0.000 2.362 279 I HA 0.288 4.472 4.170 0.023 0.000 0.289 279 I C 0.584 176.694 176.117 -0.011 0.000 0.994 279 I CA -0.551 60.818 61.300 0.114 0.000 1.158 279 I CB 2.061 40.064 38.000 0.005 0.000 1.315 279 I HN 0.658 nan 8.210 nan 0.000 0.451 280 G N 7.428 116.030 108.800 -0.330 0.000 2.347 280 G HA2 0.583 4.557 3.960 0.023 0.000 0.314 280 G HA3 0.583 4.557 3.960 0.023 0.000 0.314 280 G C -0.372 174.213 174.900 -0.525 0.000 1.126 280 G CA -0.441 44.051 45.100 -1.013 0.000 0.929 280 G HN 0.531 nan 8.290 nan 0.000 0.441 281 I N 3.021 123.332 120.570 -0.432 0.000 2.322 281 I HA 0.040 4.223 4.170 0.023 0.000 0.292 281 I C 0.171 176.171 176.117 -0.195 0.000 1.060 281 I CA -0.465 60.678 61.300 -0.261 0.000 1.309 281 I CB 1.409 39.206 38.000 -0.339 0.000 1.415 281 I HN 0.044 nan 8.210 nan 0.000 0.492 282 V N 8.199 128.073 119.914 -0.066 0.000 2.421 282 V HA 0.082 4.215 4.120 0.023 0.000 0.271 282 V C 1.540 177.702 176.094 0.113 0.000 1.031 282 V CA -0.033 62.249 62.300 -0.031 0.000 1.032 282 V CB 0.252 32.024 31.823 -0.086 0.000 1.009 282 V HN 0.760 nan 8.190 nan 0.000 0.477 283 R N 2.840 123.360 120.500 0.034 0.000 2.083 283 R HA -0.183 4.171 4.340 0.023 0.000 0.237 283 R C 1.693 178.114 176.300 0.201 0.000 1.137 283 R CA 1.710 57.850 56.100 0.067 0.000 0.951 283 R CB -0.029 30.274 30.300 0.005 0.000 0.851 283 R HN 0.683 nan 8.270 nan 0.000 0.434 284 E N -0.437 119.859 120.200 0.159 0.000 2.463 284 E HA -0.076 4.288 4.350 0.023 0.000 0.201 284 E C 1.488 178.320 176.600 0.388 0.000 1.045 284 E CA 0.941 57.481 56.400 0.233 0.000 0.872 284 E CB -0.072 29.750 29.700 0.204 0.000 0.797 284 E HN 0.484 nan 8.360 nan 0.000 0.538 285 G N -0.836 108.106 108.800 0.237 0.000 2.985 285 G HA2 0.100 4.074 3.960 0.023 0.000 0.209 285 G HA3 0.100 4.074 3.960 0.023 0.000 0.209 285 G C -0.123 174.556 174.900 -0.369 0.000 1.165 285 G CA -0.107 44.995 45.100 0.002 0.000 0.776 285 G HN 0.016 nan 8.290 nan 0.000 0.541 286 F N -1.597 118.273 119.950 -0.133 0.000 2.611 286 F HA 0.599 5.140 4.527 0.023 0.000 0.324 286 F C 1.046 176.775 175.800 -0.119 0.000 1.061 286 F CA -0.915 56.959 58.000 -0.210 0.000 0.954 286 F CB 1.543 40.472 39.000 -0.119 0.000 1.301 286 F HN 0.041 nan 8.300 nan 0.000 0.482 287 G N 0.855 109.698 108.800 0.071 0.000 2.295 287 G HA2 -0.270 3.703 3.960 0.023 0.000 0.287 287 G HA3 -0.270 3.703 3.960 0.023 0.000 0.287 287 G C -0.234 174.764 174.900 0.164 0.000 1.055 287 G CA -0.101 45.057 45.100 0.096 0.000 0.922 287 G HN 0.872 nan 8.290 nan 0.000 0.503 288 H N -0.876 118.206 119.070 0.020 0.000 2.607 288 H HA 0.435 5.005 4.556 0.023 0.000 0.367 288 H C 1.829 177.163 175.328 0.010 0.000 1.181 288 H CA -0.349 55.696 56.048 -0.005 0.000 1.402 288 H CB 1.075 30.807 29.762 -0.050 0.000 1.474 288 H HN 0.284 nan 8.280 nan 0.000 0.596 289 A N 2.795 125.693 122.820 0.129 0.000 1.917 289 A HA -0.113 4.221 4.320 0.023 0.000 0.219 289 A C 1.017 178.651 177.584 0.085 0.000 1.182 289 A CA 1.124 53.209 52.037 0.079 0.000 0.633 289 A CB -0.246 18.783 19.000 0.047 0.000 0.819 289 A HN 0.364 nan 8.150 nan 0.000 0.448 290 V N 1.515 121.493 119.914 0.106 0.000 2.320 290 V HA 0.528 4.661 4.120 0.023 0.000 0.265 290 V C -0.112 176.092 176.094 0.182 0.000 1.048 290 V CA 0.490 62.864 62.300 0.123 0.000 0.865 290 V CB -0.298 31.600 31.823 0.125 0.000 1.043 290 V HN 0.740 nan 8.190 nan 0.000 0.474 291 S N 3.818 119.614 115.700 0.160 0.000 2.645 291 S HA 0.465 4.949 4.470 0.023 0.000 0.268 291 S C -1.464 173.211 174.600 0.126 0.000 1.110 291 S CA -1.137 57.172 58.200 0.182 0.000 0.823 291 S CB 1.631 64.867 63.200 0.061 0.000 1.091 291 S HN 0.468 nan 8.310 nan 0.000 0.466 292 Q N 0.826 120.704 119.800 0.130 0.000 2.425 292 Q HA 0.388 4.741 4.340 0.023 0.000 0.254 292 Q C -2.209 173.824 176.000 0.054 0.000 1.032 292 Q CA -2.281 53.573 55.803 0.084 0.000 0.798 292 Q CB 1.579 30.381 28.738 0.107 0.000 1.210 292 Q HN 0.410 nan 8.270 nan 0.000 0.491 293 P HA -0.265 nan 4.420 nan 0.000 0.217 293 P C 0.651 177.977 177.300 0.044 0.000 1.151 293 P CA 1.366 64.492 63.100 0.043 0.000 0.849 293 P CB 0.373 32.096 31.700 0.038 0.000 0.787 294 E N -0.722 119.501 120.200 0.039 0.000 2.097 294 E HA -0.150 4.214 4.350 0.023 0.000 0.196 294 E C 1.928 178.552 176.600 0.040 0.000 1.000 294 E CA 1.267 57.690 56.400 0.038 0.000 0.804 294 E CB -0.547 29.174 29.700 0.033 0.000 0.740 294 E HN 0.099 nan 8.360 nan 0.000 0.454 295 V N 1.848 121.783 119.914 0.036 0.000 2.261 295 V HA -0.248 3.885 4.120 0.023 0.000 0.246 295 V C 1.831 177.929 176.094 0.006 0.000 1.047 295 V CA 1.996 64.306 62.300 0.016 0.000 1.015 295 V CB -0.469 31.357 31.823 0.005 0.000 0.642 295 V HN 0.172 nan 8.190 nan 0.000 0.446 296 D N 0.118 120.527 120.400 0.016 0.000 2.123 296 D HA -0.164 4.490 4.640 0.023 0.000 0.196 296 D C 1.933 178.350 176.300 0.195 0.000 0.992 296 D CA 1.463 55.516 54.000 0.088 0.000 0.833 296 D CB -0.349 40.536 40.800 0.141 0.000 0.954 296 D HN 0.462 nan 8.370 nan 0.000 0.455 297 D N 0.482 120.953 120.400 0.118 0.000 2.117 297 D HA -0.076 4.577 4.640 0.023 0.000 0.198 297 D C 2.042 178.397 176.300 0.092 0.000 0.982 297 D CA 1.044 55.102 54.000 0.096 0.000 0.828 297 D CB -0.209 40.628 40.800 0.061 0.000 0.967 297 D HN 0.129 nan 8.370 nan 0.000 0.464 298 A N 0.930 123.795 122.820 0.076 0.000 1.877 298 A HA -0.145 4.188 4.320 0.023 0.000 0.216 298 A C 2.557 180.189 177.584 0.079 0.000 1.186 298 A CA 1.342 53.423 52.037 0.073 0.000 0.620 298 A CB -0.772 18.263 19.000 0.059 0.000 0.822 298 A HN 0.149 nan 8.150 nan 0.000 0.443 299 V N -0.029 119.925 119.914 0.066 0.000 2.427 299 V HA -0.215 3.918 4.120 0.023 0.000 0.248 299 V C 2.618 178.770 176.094 0.096 0.000 1.051 299 V CA 2.148 64.470 62.300 0.037 0.000 1.048 299 V CB -0.852 30.945 31.823 -0.042 0.000 0.666 299 V HN 0.692 nan 8.190 nan 0.000 0.456 300 R N 0.604 121.225 120.500 0.200 0.000 2.081 300 R HA -0.160 4.194 4.340 0.023 0.000 0.235 300 R C 2.277 178.622 176.300 0.075 0.000 1.131 300 R CA 1.768 57.925 56.100 0.094 0.000 0.960 300 R CB -0.472 29.839 30.300 0.018 0.000 0.856 300 R HN 0.454 nan 8.270 nan 0.000 0.436 301 A N 0.786 123.677 122.820 0.118 0.000 1.877 301 A HA -0.076 4.258 4.320 0.023 0.000 0.216 301 A C 2.411 180.074 177.584 0.131 0.000 1.186 301 A CA 1.622 53.745 52.037 0.144 0.000 0.620 301 A CB -0.911 18.152 19.000 0.106 0.000 0.822 301 A HN 0.557 nan 8.150 nan 0.000 0.443 302 A N -0.039 122.844 122.820 0.104 0.000 1.908 302 A HA 0.077 4.411 4.320 0.023 0.000 0.218 302 A C 2.514 180.098 177.584 -0.001 0.000 1.181 302 A CA 2.362 54.475 52.037 0.127 0.000 0.627 302 A CB -1.072 17.981 19.000 0.089 0.000 0.818 302 A HN 1.111 nan 8.150 nan 0.000 0.445 303 A N -1.308 121.441 122.820 -0.118 0.000 1.902 303 A HA -0.202 4.132 4.320 0.023 0.000 0.217 303 A C 2.060 179.552 177.584 -0.152 0.000 1.181 303 A CA 1.630 53.540 52.037 -0.211 0.000 0.623 303 A CB -0.907 17.928 19.000 -0.275 0.000 0.818 303 A HN 0.667 nan 8.150 nan 0.000 0.443 304 H N 0.453 119.514 119.070 -0.015 0.000 2.423 304 H HA -0.082 4.488 4.556 0.023 0.000 0.297 304 H C 2.639 177.987 175.328 0.033 0.000 1.075 304 H CA 1.621 57.668 56.048 -0.001 0.000 1.342 304 H CB -0.392 29.363 29.762 -0.012 0.000 1.395 304 H HN 0.691 nan 8.280 nan 0.000 0.530 305 S N 0.950 116.756 115.700 0.177 0.000 2.465 305 S HA -0.100 4.383 4.470 0.023 0.000 0.241 305 S C 2.094 176.779 174.600 0.143 0.000 1.000 305 S CA 0.558 58.850 58.200 0.154 0.000 0.964 305 S CB -0.804 62.504 63.200 0.180 0.000 0.763 305 S HN 0.311 nan 8.310 nan 0.000 0.512 306 L N 2.114 123.418 121.223 0.135 0.000 2.450 306 L HA -0.059 4.295 4.340 0.023 0.000 0.224 306 L C 2.895 179.821 176.870 0.093 0.000 1.149 306 L CA 1.301 56.213 54.840 0.121 0.000 0.816 306 L CB -1.165 40.943 42.059 0.082 0.000 0.932 306 L HN 0.619 nan 8.230 nan 0.000 0.449 307 T N -3.991 110.619 114.554 0.093 0.000 2.951 307 T HA -0.153 4.211 4.350 0.023 0.000 0.268 307 T C 1.476 176.215 174.700 0.064 0.000 1.073 307 T CA 0.746 62.892 62.100 0.077 0.000 1.134 307 T CB -0.204 68.712 68.868 0.080 0.000 0.884 307 T HN 0.383 nan 8.240 nan 0.000 0.479 308 E N 1.315 121.556 120.200 0.069 0.000 2.401 308 E HA -0.006 4.357 4.350 0.023 0.000 0.199 308 E C 1.471 178.100 176.600 0.049 0.000 1.023 308 E CA 0.946 57.379 56.400 0.055 0.000 0.859 308 E CB -0.346 29.388 29.700 0.057 0.000 0.780 308 E HN 0.839 nan 8.360 nan 0.000 0.523 309 I N -4.882 115.722 120.570 0.057 0.000 3.707 309 I HA 0.472 4.655 4.170 0.023 0.000 0.330 309 I C 0.822 176.966 176.117 0.046 0.000 1.572 309 I CA -0.050 61.279 61.300 0.049 0.000 1.104 309 I CB 0.568 38.601 38.000 0.056 0.000 1.240 309 I HN 0.038 nan 8.210 nan 0.000 0.475 310 G N 1.105 109.932 108.800 0.045 0.000 2.157 310 G HA2 -0.236 3.738 3.960 0.023 0.000 0.248 310 G HA3 -0.236 3.738 3.960 0.023 0.000 0.248 310 G C 0.201 175.127 174.900 0.044 0.000 0.979 310 G CA -0.013 45.111 45.100 0.040 0.000 0.650 310 G HN 0.523 nan 8.290 nan 0.000 0.529 311 C N 1.940 121.272 119.300 0.054 0.000 2.463 311 C HA 0.703 5.176 4.460 0.023 0.000 0.380 311 C C 1.187 176.216 174.990 0.065 0.000 1.264 311 C CA 0.322 59.375 59.018 0.058 0.000 2.161 311 C CB 0.609 28.386 27.740 0.061 0.000 2.515 311 C HN 0.798 nan 8.230 nan 0.000 0.565 312 T N 0.561 115.157 114.554 0.071 0.000 2.744 312 T HA 0.579 4.942 4.350 0.023 0.000 0.291 312 T C -0.658 174.114 174.700 0.120 0.000 0.957 312 T CA -0.484 61.666 62.100 0.083 0.000 1.002 312 T CB 0.559 69.467 68.868 0.067 0.000 0.919 312 T HN 0.416 nan 8.240 nan 0.000 0.468 313 V N 4.213 124.200 119.914 0.122 0.000 2.409 313 V HA 0.530 4.664 4.120 0.023 0.000 0.291 313 V C -0.201 175.977 176.094 0.140 0.000 1.020 313 V CA -0.710 61.656 62.300 0.110 0.000 0.848 313 V CB 1.071 32.932 31.823 0.065 0.000 0.990 313 V HN 0.995 nan 8.190 nan 0.000 0.430 314 E N 2.865 123.150 120.200 0.142 0.000 2.367 314 E HA 0.524 4.888 4.350 0.023 0.000 0.273 314 E C -1.180 175.385 176.600 -0.057 0.000 0.903 314 E CA -0.955 55.527 56.400 0.136 0.000 0.764 314 E CB 2.738 32.617 29.700 0.298 0.000 1.252 314 E HN 0.655 nan 8.360 nan 0.000 0.446 315 E N 0.696 120.869 120.200 -0.045 0.000 2.349 315 E HA 0.439 4.802 4.350 0.023 0.000 0.265 315 E C -1.030 175.501 176.600 -0.115 0.000 1.064 315 E CA -0.527 55.790 56.400 -0.139 0.000 0.886 315 E CB 2.030 31.671 29.700 -0.098 0.000 1.036 315 E HN 0.092 nan 8.360 nan 0.000 0.413 316 V N 2.364 122.176 119.914 -0.170 0.000 3.012 316 V HA 0.274 4.408 4.120 0.023 0.000 0.307 316 V C -1.516 174.555 176.094 -0.038 0.000 1.166 316 V CA -0.813 61.438 62.300 -0.081 0.000 0.974 316 V CB 2.318 34.037 31.823 -0.173 0.000 1.040 316 V HN 0.628 nan 8.190 nan 0.000 0.428 317 N N 5.102 123.814 118.700 0.021 0.000 2.438 317 N HA 0.569 5.322 4.740 0.023 0.000 0.282 317 N C -0.900 174.642 175.510 0.053 0.000 1.037 317 N CA -0.112 52.958 53.050 0.033 0.000 0.942 317 N CB 1.728 40.240 38.487 0.042 0.000 1.136 317 N HN 0.615 nan 8.380 nan 0.000 0.481 318 I N 3.831 124.435 120.570 0.056 0.000 2.714 318 I HA 0.208 4.392 4.170 0.023 0.000 0.276 318 I C -1.809 174.355 176.117 0.078 0.000 1.196 318 I CA -1.707 59.635 61.300 0.070 0.000 1.068 318 I CB 1.989 40.029 38.000 0.066 0.000 1.291 318 I HN 0.172 nan 8.210 nan 0.000 0.530 319 P HA -0.150 nan 4.420 nan 0.000 0.217 319 P C 1.096 178.277 177.300 -0.198 0.000 1.148 319 P CA 1.503 64.574 63.100 -0.049 0.000 0.828 319 P CB 0.110 31.813 31.700 0.004 0.000 0.783 320 W N -1.708 119.512 121.300 -0.134 0.000 2.721 320 W HA -0.091 4.582 4.660 0.021 0.000 0.245 320 W C 2.341 178.764 176.519 -0.161 0.000 1.276 320 W CA 0.953 58.245 57.345 -0.089 0.000 1.342 320 W CB -1.144 28.273 29.460 -0.072 0.000 1.135 320 W HN 0.212 nan 8.180 nan 0.000 0.654 321 H N -0.342 118.671 119.070 -0.095 0.000 2.389 321 H HA -0.114 4.456 4.556 0.024 0.000 0.299 321 H C 1.949 177.240 175.328 -0.063 0.000 1.081 321 H CA 2.016 58.048 56.048 -0.027 0.000 1.345 321 H CB -0.207 29.594 29.762 0.065 0.000 1.393 321 H HN 0.098 nan 8.280 nan 0.000 0.520 322 L N -0.760 120.325 121.223 -0.232 0.000 2.179 322 L HA -0.114 4.239 4.340 0.023 0.000 0.208 322 L C 2.387 179.175 176.870 -0.135 0.000 1.096 322 L CA 0.772 55.446 54.840 -0.277 0.000 0.779 322 L CB -0.456 41.444 42.059 -0.266 0.000 0.922 322 L HN 0.422 nan 8.230 nan 0.000 0.443 323 H N 0.279 119.265 119.070 -0.140 0.000 2.357 323 H HA -0.035 4.535 4.556 0.023 0.000 0.301 323 H C 2.352 177.650 175.328 -0.050 0.000 1.082 323 H CA 1.250 57.194 56.048 -0.174 0.000 1.342 323 H CB -0.318 29.051 29.762 -0.654 0.000 1.389 323 H HN 0.301 nan 8.280 nan 0.000 0.511 324 A N 1.224 124.113 122.820 0.115 0.000 1.986 324 A HA -0.216 4.117 4.320 0.023 0.000 0.220 324 A C 2.300 179.915 177.584 0.052 0.000 1.171 324 A CA 1.531 53.642 52.037 0.123 0.000 0.640 324 A CB -1.094 17.986 19.000 0.133 0.000 0.811 324 A HN 0.358 nan 8.150 nan 0.000 0.451 325 F N 0.579 120.415 119.950 -0.190 0.000 2.095 325 F HA -0.220 4.323 4.527 0.026 0.000 0.298 325 F C 2.403 178.141 175.800 -0.103 0.000 1.104 325 F CA 2.186 60.039 58.000 -0.245 0.000 1.232 325 F CB -0.486 38.226 39.000 -0.481 0.000 0.987 325 F HN 0.402 nan 8.300 nan 0.000 0.475 326 H N 0.094 119.049 119.070 -0.191 0.000 2.423 326 H HA -0.044 4.525 4.556 0.021 0.000 0.297 326 H C 2.543 177.768 175.328 -0.171 0.000 1.075 326 H CA 1.860 57.759 56.048 -0.249 0.000 1.342 326 H CB -0.485 29.233 29.762 -0.072 0.000 1.395 326 H HN 0.354 nan 8.280 nan 0.000 0.530 327 I N -0.345 120.234 120.570 0.015 0.000 2.252 327 I HA -0.266 3.917 4.170 0.023 0.000 0.245 327 I C 2.654 178.746 176.117 -0.041 0.000 1.102 327 I CA 1.060 62.358 61.300 -0.004 0.000 1.385 327 I CB -0.244 37.794 38.000 0.063 0.000 1.064 327 I HN 0.243 nan 8.210 nan 0.000 0.414 328 W N 2.081 123.268 121.300 -0.189 0.000 2.355 328 W HA -0.248 4.433 4.660 0.034 0.000 0.309 328 W C 2.300 178.707 176.519 -0.186 0.000 1.206 328 W CA 2.015 59.253 57.345 -0.178 0.000 1.284 328 W CB -0.570 28.775 29.460 -0.191 0.000 1.145 328 W HN 0.085 nan 8.180 nan 0.000 0.502 329 N N -0.273 118.310 118.700 -0.195 0.000 2.094 329 N HA -0.238 4.515 4.740 0.023 0.000 0.191 329 N C 1.581 176.894 175.510 -0.328 0.000 1.023 329 N CA 2.165 54.996 53.050 -0.365 0.000 0.857 329 N CB -0.240 38.073 38.487 -0.289 0.000 1.013 329 N HN 0.117 nan 8.380 nan 0.000 0.426 330 V N 1.364 121.147 119.914 -0.218 0.000 2.307 330 V HA -0.195 3.938 4.120 0.023 0.000 0.245 330 V C 2.234 178.245 176.094 -0.138 0.000 1.045 330 V CA 1.312 63.527 62.300 -0.140 0.000 1.024 330 V CB -0.353 31.404 31.823 -0.111 0.000 0.651 330 V HN 0.306 nan 8.190 nan 0.000 0.449 331 I N 0.524 120.951 120.570 -0.238 0.000 2.208 331 I HA -0.263 3.921 4.170 0.023 0.000 0.245 331 I C 2.594 178.638 176.117 -0.122 0.000 1.097 331 I CA 1.635 62.836 61.300 -0.165 0.000 1.363 331 I CB -0.482 37.347 38.000 -0.285 0.000 1.051 331 I HN 0.295 nan 8.210 nan 0.000 0.413 332 A N -0.209 122.330 122.820 -0.469 0.000 1.968 332 A HA -0.137 4.196 4.320 0.023 0.000 0.217 332 A C 2.338 179.855 177.584 -0.112 0.000 1.169 332 A CA 2.100 53.885 52.037 -0.421 0.000 0.638 332 A CB -0.776 17.546 19.000 -1.129 0.000 0.812 332 A HN 0.374 nan 8.150 nan 0.000 0.446 333 T N -0.252 114.215 114.554 -0.146 0.000 2.781 333 T HA -0.060 4.304 4.350 0.023 0.000 0.252 333 T C 1.548 176.226 174.700 -0.038 0.000 1.039 333 T CA 1.341 63.386 62.100 -0.091 0.000 1.147 333 T CB -0.362 68.459 68.868 -0.077 0.000 0.865 333 T HN 0.379 nan 8.240 nan 0.000 0.423 334 D N 0.908 121.311 120.400 0.005 0.000 2.097 334 D HA 0.008 4.662 4.640 0.023 0.000 0.197 334 D C 2.354 178.630 176.300 -0.040 0.000 0.984 334 D CA 1.276 55.280 54.000 0.006 0.000 0.826 334 D CB -0.781 40.061 40.800 0.069 0.000 0.973 334 D HN 0.418 nan 8.370 nan 0.000 0.460 335 G N 0.058 108.857 108.800 -0.002 0.000 2.418 335 G HA2 -0.176 3.797 3.960 0.023 0.000 0.217 335 G HA3 -0.176 3.797 3.960 0.023 0.000 0.217 335 G C 1.689 176.613 174.900 0.040 0.000 1.158 335 G CA 1.096 46.161 45.100 -0.060 0.000 0.771 335 G HN 0.402 nan 8.290 nan 0.000 0.545 336 G N 1.037 109.870 108.800 0.056 0.000 2.418 336 G HA2 0.056 4.030 3.960 0.023 0.000 0.217 336 G HA3 0.056 4.030 3.960 0.023 0.000 0.217 336 G C 2.042 176.986 174.900 0.073 0.000 1.158 336 G CA 1.537 46.693 45.100 0.093 0.000 0.771 336 G HN 0.637 nan 8.290 nan 0.000 0.545 337 A N -0.218 122.629 122.820 0.044 0.000 1.898 337 A HA 0.018 4.351 4.320 0.023 0.000 0.216 337 A C 2.210 179.855 177.584 0.102 0.000 1.181 337 A CA 1.636 53.708 52.037 0.059 0.000 0.620 337 A CB -0.640 18.393 19.000 0.054 0.000 0.819 337 A HN 0.448 nan 8.150 nan 0.000 0.442 338 Y N 0.089 120.362 120.300 -0.044 0.000 2.145 338 Y HA -0.209 4.355 4.550 0.024 0.000 0.286 338 Y C 2.584 178.465 175.900 -0.032 0.000 1.145 338 Y CA 2.473 60.537 58.100 -0.060 0.000 1.148 338 Y CB -0.236 38.133 38.460 -0.152 0.000 0.981 338 Y HN 0.485 nan 8.280 nan 0.000 0.507 339 Q N -0.564 119.269 119.800 0.054 0.000 2.063 339 Q HA -0.117 4.237 4.340 0.023 0.000 0.194 339 Q C 2.525 178.521 176.000 -0.006 0.000 0.974 339 Q CA 0.961 56.747 55.803 -0.030 0.000 0.827 339 Q CB -0.255 28.494 28.738 0.020 0.000 0.902 339 Q HN 0.554 nan 8.270 nan 0.000 0.462 340 M N 0.361 119.989 119.600 0.047 0.000 2.106 340 M HA -0.200 4.294 4.480 0.023 0.000 0.259 340 M C 1.527 177.999 176.300 0.286 0.000 1.068 340 M CA 1.481 56.853 55.300 0.121 0.000 1.100 340 M CB 0.106 32.823 32.600 0.196 0.000 1.351 340 M HN 0.303 nan 8.290 nan 0.000 0.404 341 L N -1.094 120.247 121.223 0.197 0.000 2.208 341 L HA -0.066 4.288 4.340 0.023 0.000 0.196 341 L C 2.034 178.948 176.870 0.073 0.000 1.130 341 L CA 0.495 55.441 54.840 0.177 0.000 0.791 341 L CB -1.031 41.082 42.059 0.090 0.000 0.969 341 L HN 0.127 nan 8.230 nan 0.000 0.468 342 D N 0.583 120.981 120.400 -0.002 0.000 2.221 342 D HA -0.131 4.522 4.640 0.023 0.000 0.204 342 D C 1.823 178.064 176.300 -0.098 0.000 0.982 342 D CA 1.528 55.484 54.000 -0.073 0.000 0.857 342 D CB -0.183 40.546 40.800 -0.119 0.000 0.934 342 D HN 0.420 nan 8.370 nan 0.000 0.475 343 G N -0.154 108.590 108.800 -0.095 0.000 3.042 343 G HA2 -0.053 3.921 3.960 0.023 0.000 0.212 343 G HA3 -0.053 3.921 3.960 0.023 0.000 0.212 343 G C 0.110 175.046 174.900 0.060 0.000 1.166 343 G CA -0.327 44.730 45.100 -0.071 0.000 0.767 343 G HN 0.187 nan 8.290 nan 0.000 0.546 344 N N -0.306 118.492 118.700 0.163 0.000 2.688 344 N HA -0.203 4.551 4.740 0.023 0.000 0.258 344 N C 1.485 177.135 175.510 0.233 0.000 1.016 344 N CA 0.751 54.042 53.050 0.403 0.000 0.747 344 N CB -0.922 37.755 38.487 0.316 0.000 0.895 344 N HN 0.772 nan 8.380 nan 0.000 0.543 345 G N -0.507 108.271 108.800 -0.038 0.000 5.155 345 G HA2 -0.478 3.496 3.960 0.023 0.000 0.239 345 G HA3 -0.478 3.496 3.960 0.023 0.000 0.239 345 G C 0.723 175.323 174.900 -0.499 0.000 1.409 345 G CA 0.540 45.223 45.100 -0.696 0.000 0.927 345 G HN 0.397 nan 8.290 nan 0.000 0.710 346 Y N 2.587 122.698 120.300 -0.315 0.000 2.373 346 Y HA 0.314 4.874 4.550 0.017 0.000 0.293 346 Y C 2.498 178.326 175.900 -0.120 0.000 1.129 346 Y CA 1.953 59.895 58.100 -0.262 0.000 1.226 346 Y CB -0.497 37.804 38.460 -0.265 0.000 1.000 346 Y HN 1.464 nan 8.280 nan 0.000 0.549 347 G N 0.626 109.479 108.800 0.088 0.000 2.575 347 G HA2 -0.302 3.672 3.960 0.023 0.000 0.267 347 G HA3 -0.302 3.672 3.960 0.023 0.000 0.267 347 G C -0.160 174.861 174.900 0.201 0.000 1.264 347 G CA 0.408 45.544 45.100 0.059 0.000 0.935 347 G HN 0.158 nan 8.290 nan 0.000 0.568 348 M N -0.801 118.890 119.600 0.153 0.000 3.223 348 M HA 0.502 4.996 4.480 0.023 0.000 0.282 348 M C 0.159 176.566 176.300 0.178 0.000 1.346 348 M CA -0.335 55.083 55.300 0.197 0.000 0.789 348 M CB 1.692 34.340 32.600 0.080 0.000 1.724 348 M HN 0.860 nan 8.290 nan 0.000 0.447 349 N N -0.372 118.411 118.700 0.139 0.000 2.754 349 N HA -0.115 4.639 4.740 0.023 0.000 0.248 349 N C -1.179 174.415 175.510 0.139 0.000 1.093 349 N CA 0.955 54.075 53.050 0.116 0.000 0.699 349 N CB -1.479 37.075 38.487 0.110 0.000 1.016 349 N HN 0.783 nan 8.380 nan 0.000 0.552 350 A N -0.311 122.629 122.820 0.201 0.000 2.517 350 A HA 0.570 4.903 4.320 0.023 0.000 0.297 350 A C -0.282 177.456 177.584 0.257 0.000 1.050 350 A CA -0.662 51.492 52.037 0.194 0.000 0.694 350 A CB 1.833 20.934 19.000 0.168 0.000 1.277 350 A HN 0.127 nan 8.150 nan 0.000 0.400 351 E N 0.900 121.206 120.200 0.175 0.000 2.390 351 E HA 0.573 4.937 4.350 0.023 0.000 0.261 351 E C 0.616 177.348 176.600 0.220 0.000 1.076 351 E CA 1.544 58.047 56.400 0.171 0.000 0.905 351 E CB 0.846 30.607 29.700 0.102 0.000 0.984 351 E HN 1.931 nan 8.360 nan 0.000 0.427 352 G N 1.667 110.609 108.800 0.238 0.000 2.359 352 G HA2 -0.021 3.952 3.960 0.023 0.000 0.303 352 G HA3 -0.021 3.952 3.960 0.023 0.000 0.303 352 G C -1.601 173.478 174.900 0.298 0.000 1.293 352 G CA -0.670 44.561 45.100 0.219 0.000 0.964 352 G HN 0.571 nan 8.290 nan 0.000 0.531 353 L N 1.165 122.514 121.223 0.211 0.000 2.260 353 L HA 0.586 4.940 4.340 0.023 0.000 0.289 353 L C -0.416 176.563 176.870 0.182 0.000 1.057 353 L CA -0.629 54.332 54.840 0.202 0.000 0.811 353 L CB 0.269 42.404 42.059 0.126 0.000 1.184 353 L HN 0.630 nan 8.230 nan 0.000 0.429 354 Y N 2.682 122.933 120.300 -0.083 0.000 2.519 354 Y HA 0.211 4.770 4.550 0.015 0.000 0.324 354 Y C 0.355 175.952 175.900 -0.505 0.000 1.214 354 Y CA -0.715 57.127 58.100 -0.429 0.000 1.260 354 Y CB 1.403 39.672 38.460 -0.318 0.000 1.311 354 Y HN 0.447 nan 8.280 nan 0.000 0.505 355 D N 2.357 122.260 120.400 -0.829 0.000 2.517 355 D HA 0.211 4.865 4.640 0.023 0.000 0.301 355 D C -2.019 174.158 176.300 -0.205 0.000 1.202 355 D CA -2.373 51.420 54.000 -0.344 0.000 0.910 355 D CB 0.854 41.538 40.800 -0.193 0.000 1.021 355 D HN 0.196 nan 8.370 nan 0.000 0.499 356 P HA -0.161 nan 4.420 nan 0.000 0.218 356 P C 0.870 178.155 177.300 -0.025 0.000 1.148 356 P CA 0.986 64.027 63.100 -0.099 0.000 0.822 356 P CB 0.793 32.351 31.700 -0.238 0.000 0.784 357 E N -0.095 120.140 120.200 0.059 0.000 2.047 357 E HA -0.133 4.231 4.350 0.023 0.000 0.191 357 E C 2.018 178.643 176.600 0.041 0.000 0.987 357 E CA 0.695 57.183 56.400 0.147 0.000 0.799 357 E CB -1.248 28.636 29.700 0.306 0.000 0.752 357 E HN 0.132 nan 8.360 nan 0.000 0.449 358 L N 0.124 121.303 121.223 -0.073 0.000 2.056 358 L HA -0.082 4.271 4.340 0.023 0.000 0.207 358 L C 1.944 178.769 176.870 -0.076 0.000 1.078 358 L CA 1.714 56.277 54.840 -0.463 0.000 0.749 358 L CB -0.386 41.557 42.059 -0.193 0.000 0.901 358 L HN 0.177 nan 8.230 nan 0.000 0.433 359 M N -0.876 118.751 119.600 0.045 0.000 2.117 359 M HA -0.194 4.299 4.480 0.023 0.000 0.262 359 M C 2.287 178.665 176.300 0.129 0.000 1.065 359 M CA 1.906 57.294 55.300 0.145 0.000 1.114 359 M CB -0.622 32.038 32.600 0.100 0.000 1.361 359 M HN 0.430 nan 8.290 nan 0.000 0.408 360 A N -0.578 122.283 122.820 0.069 0.000 1.877 360 A HA -0.240 4.094 4.320 0.023 0.000 0.216 360 A C 1.840 179.467 177.584 0.070 0.000 1.186 360 A CA 2.202 54.274 52.037 0.058 0.000 0.620 360 A CB -1.141 17.890 19.000 0.052 0.000 0.822 360 A HN 0.590 nan 8.150 nan 0.000 0.443 361 H N -1.555 117.507 119.070 -0.014 0.000 2.290 361 H HA -0.183 4.387 4.556 0.024 0.000 0.298 361 H C 1.772 177.127 175.328 0.045 0.000 1.087 361 H CA 2.318 58.359 56.048 -0.011 0.000 1.291 361 H CB -0.461 29.216 29.762 -0.141 0.000 1.369 361 H HN 0.479 nan 8.280 nan 0.000 0.492 362 F N 0.483 120.403 119.950 -0.050 0.000 2.134 362 F HA -0.194 4.343 4.527 0.017 0.000 0.299 362 F C 2.568 178.340 175.800 -0.047 0.000 1.097 362 F CA 1.225 59.208 58.000 -0.029 0.000 1.264 362 F CB -0.486 38.602 39.000 0.147 0.000 1.001 362 F HN 0.348 nan 8.300 nan 0.000 0.479 363 A N 0.171 122.957 122.820 -0.057 0.000 1.892 363 A HA -0.291 4.042 4.320 0.023 0.000 0.218 363 A C 2.317 179.783 177.584 -0.197 0.000 1.188 363 A CA 2.613 54.554 52.037 -0.160 0.000 0.631 363 A CB -1.441 17.531 19.000 -0.047 0.000 0.822 363 A HN 0.557 nan 8.150 nan 0.000 0.447 364 S N -0.755 114.854 115.700 -0.152 0.000 2.357 364 S HA -0.138 4.346 4.470 0.023 0.000 0.221 364 S C 2.016 176.528 174.600 -0.146 0.000 1.031 364 S CA 1.270 59.392 58.200 -0.131 0.000 0.982 364 S CB -0.386 62.757 63.200 -0.095 0.000 0.853 364 S HN 0.399 nan 8.310 nan 0.000 0.458 365 R N 2.210 122.576 120.500 -0.224 0.000 2.081 365 R HA 0.026 4.380 4.340 0.023 0.000 0.235 365 R C 2.643 178.880 176.300 -0.105 0.000 1.131 365 R CA 1.900 57.898 56.100 -0.170 0.000 0.960 365 R CB -0.767 29.336 30.300 -0.328 0.000 0.856 365 R HN 0.812 nan 8.270 nan 0.000 0.436 366 R N 0.970 121.289 120.500 -0.300 0.000 2.189 366 R HA -0.039 4.315 4.340 0.023 0.000 0.223 366 R C 1.781 177.975 176.300 -0.177 0.000 1.092 366 R CA 1.721 57.635 56.100 -0.309 0.000 0.989 366 R CB -0.661 29.209 30.300 -0.716 0.000 0.876 366 R HN 0.446 nan 8.270 nan 0.000 0.457 367 I N -2.144 118.331 120.570 -0.158 0.000 3.226 367 I HA 0.057 4.241 4.170 0.023 0.000 0.277 367 I C 1.163 177.230 176.117 -0.084 0.000 1.243 367 I CA 0.233 61.462 61.300 -0.119 0.000 1.459 367 I CB 0.025 37.953 38.000 -0.120 0.000 1.093 367 I HN -0.001 nan 8.210 nan 0.000 0.453 368 Q N 0.451 120.226 119.800 -0.042 0.000 2.384 368 Q HA 0.140 4.493 4.340 0.023 0.000 0.207 368 Q C 0.655 176.492 176.000 -0.272 0.000 0.904 368 Q CA 0.744 56.485 55.803 -0.103 0.000 0.933 368 Q CB 0.263 28.979 28.738 -0.037 0.000 1.077 368 Q HN 0.735 nan 8.270 nan 0.000 0.522 369 H N -1.500 117.524 119.070 -0.076 0.000 2.750 369 H HA 0.371 4.939 4.556 0.020 0.000 0.252 369 H C 1.067 176.364 175.328 -0.052 0.000 1.176 369 H CA 0.321 56.338 56.048 -0.050 0.000 0.987 369 H CB 0.819 30.561 29.762 -0.034 0.000 1.810 369 H HN 0.111 nan 8.280 nan 0.000 0.630 370 A N 1.050 123.874 122.820 0.007 0.000 1.948 370 A HA -0.196 4.138 4.320 0.023 0.000 0.220 370 A C 1.914 179.489 177.584 -0.014 0.000 1.177 370 A CA 1.694 53.718 52.037 -0.021 0.000 0.636 370 A CB -0.168 18.795 19.000 -0.061 0.000 0.815 370 A HN 0.243 nan 8.150 nan 0.000 0.449 371 D N -0.190 120.196 120.400 -0.024 0.000 2.263 371 D HA -0.036 4.618 4.640 0.023 0.000 0.208 371 D C 1.934 178.234 176.300 -0.000 0.000 0.971 371 D CA 1.239 55.224 54.000 -0.024 0.000 0.867 371 D CB -0.125 40.653 40.800 -0.036 0.000 0.929 371 D HN 0.496 nan 8.370 nan 0.000 0.492 372 A N 0.285 123.125 122.820 0.033 0.000 2.169 372 A HA 0.075 4.408 4.320 0.023 0.000 0.212 372 A C 1.256 178.872 177.584 0.054 0.000 1.153 372 A CA -0.117 51.956 52.037 0.059 0.000 0.756 372 A CB -0.162 18.904 19.000 0.110 0.000 0.813 372 A HN 0.135 nan 8.150 nan 0.000 0.471 373 L N 1.810 123.057 121.223 0.040 0.000 2.514 373 L HA 0.041 4.395 4.340 0.023 0.000 0.280 373 L C 1.199 178.085 176.870 0.027 0.000 1.223 373 L CA -0.222 54.644 54.840 0.043 0.000 0.864 373 L CB 0.424 42.501 42.059 0.028 0.000 1.118 373 L HN 0.493 nan 8.230 nan 0.000 0.494 374 S N 1.511 117.250 115.700 0.066 0.000 2.569 374 S HA 0.005 4.488 4.470 0.023 0.000 0.274 374 S C 0.919 175.485 174.600 -0.056 0.000 1.353 374 S CA -0.675 57.569 58.200 0.073 0.000 1.023 374 S CB 0.945 64.279 63.200 0.224 0.000 0.876 374 S HN 0.581 nan 8.310 nan 0.000 0.540 375 E N 1.422 121.428 120.200 -0.324 0.000 2.204 375 E HA -0.097 4.267 4.350 0.023 0.000 0.195 375 E C 2.260 178.814 176.600 -0.078 0.000 0.990 375 E CA 1.762 57.947 56.400 -0.358 0.000 0.821 375 E CB -1.118 28.087 29.700 -0.826 0.000 0.750 375 E HN 0.978 nan 8.360 nan 0.000 0.477 376 T N -1.224 113.403 114.554 0.122 0.000 2.857 376 T HA -0.046 4.317 4.350 0.023 0.000 0.266 376 T C 2.193 176.899 174.700 0.009 0.000 1.048 376 T CA 0.919 63.135 62.100 0.194 0.000 1.139 376 T CB -0.556 68.549 68.868 0.396 0.000 0.874 376 T HN -0.048 nan 8.240 nan 0.000 0.455 377 V N 1.849 121.773 119.914 0.017 0.000 2.358 377 V HA -0.121 4.012 4.120 0.023 0.000 0.246 377 V C 2.735 178.763 176.094 -0.109 0.000 1.047 377 V CA 1.623 63.873 62.300 -0.083 0.000 1.035 377 V CB -0.574 31.273 31.823 0.040 0.000 0.658 377 V HN 0.488 nan 8.190 nan 0.000 0.452 378 K N -0.367 119.992 120.400 -0.067 0.000 2.097 378 K HA -0.177 4.156 4.320 0.023 0.000 0.206 378 K C 2.088 178.644 176.600 -0.074 0.000 1.049 378 K CA 1.344 57.589 56.287 -0.070 0.000 0.933 378 K CB -0.350 32.108 32.500 -0.072 0.000 0.717 378 K HN 0.280 nan 8.250 nan 0.000 0.442 379 L N 0.978 122.158 121.223 -0.071 0.000 2.017 379 L HA -0.156 4.197 4.340 0.023 0.000 0.208 379 L C 2.014 178.827 176.870 -0.095 0.000 1.073 379 L CA 1.503 56.312 54.840 -0.052 0.000 0.745 379 L CB -0.428 41.628 42.059 -0.004 0.000 0.894 379 L HN -0.109 nan 8.230 nan 0.000 0.432 380 V N 0.218 120.005 119.914 -0.212 0.000 2.287 380 V HA -0.336 3.797 4.120 0.023 0.000 0.248 380 V C 2.813 178.822 176.094 -0.141 0.000 1.053 380 V CA 1.742 63.868 62.300 -0.290 0.000 1.027 380 V CB -1.362 30.063 31.823 -0.663 0.000 0.646 380 V HN 0.644 nan 8.190 nan 0.000 0.447 381 A N -0.178 122.576 122.820 -0.110 0.000 1.865 381 A HA -0.188 4.146 4.320 0.023 0.000 0.217 381 A C 2.201 179.788 177.584 0.005 0.000 1.191 381 A CA 2.103 54.114 52.037 -0.043 0.000 0.623 381 A CB -0.600 18.367 19.000 -0.054 0.000 0.826 381 A HN 0.499 nan 8.150 nan 0.000 0.444 382 L N -0.831 120.385 121.223 -0.012 0.000 1.994 382 L HA -0.153 4.200 4.340 0.023 0.000 0.208 382 L C 3.029 179.945 176.870 0.077 0.000 1.071 382 L CA 1.973 56.826 54.840 0.021 0.000 0.745 382 L CB -0.981 41.070 42.059 -0.013 0.000 0.892 382 L HN 0.607 nan 8.230 nan 0.000 0.431 383 T N -1.181 113.401 114.554 0.047 0.000 2.904 383 T HA -0.070 4.293 4.350 0.023 0.000 0.267 383 T C 1.850 176.616 174.700 0.110 0.000 1.059 383 T CA 1.206 63.358 62.100 0.086 0.000 1.137 383 T CB -0.357 68.541 68.868 0.050 0.000 0.879 383 T HN 0.404 nan 8.240 nan 0.000 0.467 384 G N -0.323 108.513 108.800 0.059 0.000 2.408 384 G HA2 -0.198 3.775 3.960 0.023 0.000 0.217 384 G HA3 -0.198 3.775 3.960 0.023 0.000 0.217 384 G C 1.449 176.396 174.900 0.077 0.000 1.150 384 G CA 1.000 46.126 45.100 0.044 0.000 0.776 384 G HN 0.701 nan 8.290 nan 0.000 0.542 385 H N -0.376 118.713 119.070 0.032 0.000 2.421 385 H HA -0.134 4.405 4.556 -0.027 0.000 0.298 385 H C 2.233 177.596 175.328 0.059 0.000 1.087 385 H CA 1.999 58.070 56.048 0.039 0.000 1.330 385 H CB -0.207 29.574 29.762 0.031 0.000 1.388 385 H HN 0.508 nan 8.280 nan 0.000 0.526 386 H N -0.699 118.378 119.070 0.012 0.000 2.389 386 H HA 0.007 4.576 4.556 0.022 0.000 0.299 386 H C 2.395 177.679 175.328 -0.073 0.000 1.081 386 H CA 1.780 57.806 56.048 -0.036 0.000 1.345 386 H CB -0.614 29.153 29.762 0.007 0.000 1.393 386 H HN 0.430 nan 8.280 nan 0.000 0.520 387 G N 0.419 109.130 108.800 -0.148 0.000 2.402 387 G HA2 -0.156 3.818 3.960 0.023 0.000 0.216 387 G HA3 -0.156 3.818 3.960 0.023 0.000 0.216 387 G C 1.790 176.572 174.900 -0.197 0.000 1.162 387 G CA 0.897 45.877 45.100 -0.199 0.000 0.777 387 G HN 0.464 nan 8.290 nan 0.000 0.539 388 I N 1.327 121.795 120.570 -0.170 0.000 2.202 388 I HA -0.121 4.062 4.170 0.023 0.000 0.242 388 I C 3.080 179.078 176.117 -0.199 0.000 1.091 388 I CA 1.702 62.901 61.300 -0.169 0.000 1.368 388 I CB -0.420 37.527 38.000 -0.088 0.000 1.058 388 I HN 0.359 nan 8.210 nan 0.000 0.410 389 T N -2.668 111.717 114.554 -0.283 0.000 3.000 389 T HA -0.042 4.322 4.350 0.023 0.000 0.233 389 T C 1.861 176.439 174.700 -0.204 0.000 1.036 389 T CA 1.210 63.155 62.100 -0.258 0.000 1.333 389 T CB -0.898 67.757 68.868 -0.355 0.000 1.048 389 T HN 0.062 nan 8.240 nan 0.000 0.425 390 T N 2.409 116.841 114.554 -0.204 0.000 2.699 390 T HA -0.029 4.335 4.350 0.023 0.000 0.268 390 T C 1.710 176.276 174.700 -0.223 0.000 1.036 390 T CA 1.279 63.276 62.100 -0.171 0.000 1.147 390 T CB -0.558 68.254 68.868 -0.093 0.000 0.862 390 T HN 0.071 nan 8.240 nan 0.000 0.446 391 L N 0.376 121.396 121.223 -0.340 0.000 2.478 391 L HA 0.293 4.647 4.340 0.023 0.000 0.223 391 L C 2.036 178.808 176.870 -0.163 0.000 1.140 391 L CA 0.938 55.622 54.840 -0.259 0.000 0.842 391 L CB -1.159 40.713 42.059 -0.312 0.000 0.953 391 L HN 0.526 nan 8.230 nan 0.000 0.452 392 G N -0.788 107.918 108.800 -0.157 0.000 2.168 392 G HA2 -0.240 3.733 3.960 0.023 0.000 0.257 392 G HA3 -0.240 3.733 3.960 0.023 0.000 0.257 392 G C 1.206 176.039 174.900 -0.112 0.000 0.997 392 G CA 0.441 45.471 45.100 -0.117 0.000 0.708 392 G HN 0.931 nan 8.290 nan 0.000 0.520 393 G N -1.294 107.428 108.800 -0.130 0.000 2.184 393 G HA2 0.033 4.006 3.960 0.023 0.000 0.264 393 G HA3 0.033 4.006 3.960 0.023 0.000 0.264 393 G C 1.728 176.603 174.900 -0.041 0.000 0.975 393 G CA 1.439 46.471 45.100 -0.113 0.000 0.642 393 G HN 2.100 nan 8.290 nan 0.000 0.536 394 A N 0.276 123.062 122.820 -0.055 0.000 1.908 394 A HA 0.133 4.467 4.320 0.023 0.000 0.218 394 A C 2.630 180.196 177.584 -0.030 0.000 1.181 394 A CA 2.702 54.716 52.037 -0.039 0.000 0.627 394 A CB -0.693 18.276 19.000 -0.051 0.000 0.818 394 A HN 1.010 nan 8.150 nan 0.000 0.445 395 S N -1.961 113.718 115.700 -0.035 0.000 2.368 395 S HA -0.153 4.331 4.470 0.023 0.000 0.225 395 S C 1.799 176.378 174.600 -0.035 0.000 1.030 395 S CA 1.394 59.572 58.200 -0.038 0.000 0.999 395 S CB -0.537 62.639 63.200 -0.040 0.000 0.844 395 S HN 0.701 nan 8.310 nan 0.000 0.459 396 Y N 2.315 122.548 120.300 -0.112 0.000 2.145 396 Y HA -0.105 4.474 4.550 0.048 0.000 0.286 396 Y C 2.420 178.261 175.900 -0.099 0.000 1.145 396 Y CA 1.441 59.470 58.100 -0.118 0.000 1.148 396 Y CB -0.926 37.440 38.460 -0.156 0.000 0.981 396 Y HN 0.239 nan 8.280 nan 0.000 0.507 397 G N 0.096 108.912 108.800 0.026 0.000 2.440 397 G HA2 -0.271 3.703 3.960 0.023 0.000 0.218 397 G HA3 -0.271 3.703 3.960 0.023 0.000 0.218 397 G C 1.652 176.496 174.900 -0.094 0.000 1.154 397 G CA 1.091 46.175 45.100 -0.027 0.000 0.767 397 G HN 0.381 nan 8.290 nan 0.000 0.552 398 K N 0.600 120.951 120.400 -0.081 0.000 2.057 398 K HA 0.040 4.374 4.320 0.023 0.000 0.207 398 K C 2.966 179.506 176.600 -0.100 0.000 1.049 398 K CA 1.014 57.256 56.287 -0.074 0.000 0.931 398 K CB -0.254 32.211 32.500 -0.059 0.000 0.714 398 K HN 0.265 nan 8.250 nan 0.000 0.440 399 A N 1.814 124.540 122.820 -0.157 0.000 1.902 399 A HA -0.172 4.162 4.320 0.023 0.000 0.217 399 A C 2.075 179.539 177.584 -0.200 0.000 1.181 399 A CA 1.251 53.182 52.037 -0.177 0.000 0.623 399 A CB -0.356 18.493 19.000 -0.253 0.000 0.818 399 A HN 0.155 nan 8.150 nan 0.000 0.443 400 R N -0.058 120.259 120.500 -0.304 0.000 2.096 400 R HA -0.106 4.247 4.340 0.023 0.000 0.235 400 R C 1.554 177.783 176.300 -0.119 0.000 1.127 400 R CA 1.576 57.528 56.100 -0.247 0.000 0.968 400 R CB -0.742 29.398 30.300 -0.267 0.000 0.861 400 R HN 0.706 nan 8.270 nan 0.000 0.440 401 N N 0.445 119.091 118.700 -0.090 0.000 2.512 401 N HA -0.047 4.707 4.740 0.023 0.000 0.183 401 N C 1.450 176.946 175.510 -0.023 0.000 1.073 401 N CA 0.281 53.303 53.050 -0.048 0.000 0.911 401 N CB 0.117 38.581 38.487 -0.037 0.000 0.964 401 N HN 0.166 nan 8.380 nan 0.000 0.447 402 L N -0.207 121.013 121.223 -0.005 0.000 2.463 402 L HA 0.067 4.421 4.340 0.023 0.000 0.219 402 L C 1.962 178.874 176.870 0.070 0.000 1.088 402 L CA 0.027 54.911 54.840 0.074 0.000 0.849 402 L CB 0.138 42.286 42.059 0.149 0.000 1.012 402 L HN -0.037 nan 8.230 nan 0.000 0.468 403 V N 1.124 121.049 119.914 0.019 0.000 2.282 403 V HA -0.217 3.917 4.120 0.023 0.000 0.249 403 V C -0.172 175.927 176.094 0.008 0.000 1.057 403 V CA 2.246 64.562 62.300 0.027 0.000 1.032 403 V CB -1.522 30.288 31.823 -0.021 0.000 0.645 403 V HN 0.333 nan 8.190 nan 0.000 0.447 404 P HA -0.154 nan 4.420 nan 0.000 0.215 404 P C 1.949 179.175 177.300 -0.123 0.000 1.153 404 P CA 1.446 64.511 63.100 -0.058 0.000 0.853 404 P CB -0.068 31.594 31.700 -0.063 0.000 0.788 405 L N -1.261 119.831 121.223 -0.218 0.000 2.083 405 L HA -0.183 4.171 4.340 0.023 0.000 0.209 405 L C 2.450 178.952 176.870 -0.613 0.000 1.083 405 L CA 1.569 56.100 54.840 -0.515 0.000 0.752 405 L CB -1.079 40.518 42.059 -0.770 0.000 0.899 405 L HN -0.032 nan 8.230 nan 0.000 0.433 406 A N -0.167 122.495 122.820 -0.263 0.000 1.902 406 A HA -0.212 4.121 4.320 0.023 0.000 0.217 406 A C 2.392 180.007 177.584 0.052 0.000 1.181 406 A CA 1.442 53.484 52.037 0.009 0.000 0.623 406 A CB -0.470 18.695 19.000 0.274 0.000 0.818 406 A HN 0.277 nan 8.150 nan 0.000 0.443 407 R N -0.724 119.861 120.500 0.142 0.000 2.073 407 R HA -0.120 4.233 4.340 0.023 0.000 0.234 407 R C 2.481 178.910 176.300 0.215 0.000 1.134 407 R CA 1.318 57.608 56.100 0.316 0.000 0.952 407 R CB -0.438 29.967 30.300 0.175 0.000 0.850 407 R HN 0.511 nan 8.270 nan 0.000 0.433 408 A N 0.763 123.590 122.820 0.012 0.000 1.978 408 A HA -0.140 4.193 4.320 0.023 0.000 0.220 408 A C 2.281 179.826 177.584 -0.066 0.000 1.170 408 A CA 1.716 53.732 52.037 -0.035 0.000 0.636 408 A CB -0.554 18.370 19.000 -0.125 0.000 0.810 408 A HN 0.460 nan 8.150 nan 0.000 0.448 409 A N -1.305 121.400 122.820 -0.192 0.000 1.902 409 A HA -0.051 4.283 4.320 0.023 0.000 0.217 409 A C 2.075 179.599 177.584 -0.100 0.000 1.181 409 A CA 1.588 53.489 52.037 -0.228 0.000 0.623 409 A CB -0.722 18.063 19.000 -0.358 0.000 0.818 409 A HN 0.557 nan 8.150 nan 0.000 0.443 410 Y N 0.567 120.912 120.300 0.074 0.000 2.220 410 Y HA -0.116 4.447 4.550 0.022 0.000 0.291 410 Y C 2.188 178.128 175.900 0.066 0.000 1.129 410 Y CA 1.135 59.261 58.100 0.043 0.000 1.161 410 Y CB -0.414 37.987 38.460 -0.098 0.000 0.997 410 Y HN 0.303 nan 8.280 nan 0.000 0.522 411 D N -0.914 119.664 120.400 0.297 0.000 2.178 411 D HA -0.135 4.519 4.640 0.023 0.000 0.201 411 D C 2.028 178.421 176.300 0.155 0.000 0.980 411 D CA 1.673 55.821 54.000 0.247 0.000 0.842 411 D CB -0.447 40.490 40.800 0.229 0.000 0.948 411 D HN 0.290 nan 8.370 nan 0.000 0.472 412 T N 0.648 115.268 114.554 0.109 0.000 2.708 412 T HA -0.103 4.260 4.350 0.023 0.000 0.266 412 T C 2.035 176.807 174.700 0.121 0.000 1.037 412 T CA 1.467 63.615 62.100 0.081 0.000 1.146 412 T CB -0.231 68.659 68.868 0.038 0.000 0.865 412 T HN 0.198 nan 8.240 nan 0.000 0.435 413 A N 1.191 124.105 122.820 0.156 0.000 1.933 413 A HA 0.037 4.371 4.320 0.023 0.000 0.218 413 A C 2.118 179.869 177.584 0.278 0.000 1.175 413 A CA 1.140 53.317 52.037 0.233 0.000 0.628 413 A CB -0.825 18.299 19.000 0.207 0.000 0.814 413 A HN 0.502 nan 8.150 nan 0.000 0.444 414 L N -1.127 120.220 121.223 0.207 0.000 2.622 414 L HA -0.025 4.329 4.340 0.023 0.000 0.233 414 L C 2.450 179.401 176.870 0.135 0.000 1.156 414 L CA 0.361 55.310 54.840 0.182 0.000 0.866 414 L CB -0.249 41.910 42.059 0.168 0.000 0.980 414 L HN 0.352 nan 8.230 nan 0.000 0.448 415 R N -1.016 119.549 120.500 0.108 0.000 2.223 415 R HA 0.020 4.373 4.340 0.023 0.000 0.198 415 R C 1.772 178.062 176.300 -0.017 0.000 0.984 415 R CA 0.398 56.528 56.100 0.049 0.000 1.018 415 R CB 0.227 30.552 30.300 0.041 0.000 0.945 415 R HN 0.447 nan 8.270 nan 0.000 0.479 416 Q N -0.954 118.826 119.800 -0.034 0.000 2.391 416 Q HA 0.138 4.492 4.340 0.023 0.000 0.211 416 Q C -0.521 175.071 176.000 -0.680 0.000 0.908 416 Q CA 0.590 56.200 55.803 -0.321 0.000 0.920 416 Q CB 0.663 29.209 28.738 -0.319 0.000 1.056 416 Q HN 0.029 nan 8.270 nan 0.000 0.523 417 F N -0.696 119.267 119.950 0.021 0.000 2.588 417 F HA 0.248 4.789 4.527 0.023 0.000 0.314 417 F C 0.675 176.482 175.800 0.012 0.000 1.069 417 F CA -1.045 56.961 58.000 0.011 0.000 0.931 417 F CB 1.380 40.381 39.000 0.001 0.000 1.260 417 F HN -0.223 nan 8.300 nan 0.000 0.465 418 D N 0.436 120.944 120.400 0.180 0.000 2.123 418 D HA 0.004 4.658 4.640 0.023 0.000 0.200 418 D C 0.302 176.654 176.300 0.087 0.000 0.976 418 D CA 1.661 55.724 54.000 0.104 0.000 0.831 418 D CB 0.450 41.295 40.800 0.074 0.000 0.974 418 D HN 0.221 nan 8.370 nan 0.000 0.469 419 V N -2.004 117.957 119.914 0.079 0.000 3.114 419 V HA 0.550 4.683 4.120 0.023 0.000 0.308 419 V C -0.974 175.090 176.094 -0.051 0.000 1.168 419 V CA -1.129 61.167 62.300 -0.008 0.000 1.015 419 V CB 2.444 34.239 31.823 -0.047 0.000 1.050 419 V HN -0.139 nan 8.190 nan 0.000 0.433 420 L N 3.336 124.474 121.223 -0.142 0.000 2.329 420 L HA 0.893 5.247 4.340 0.023 0.000 0.279 420 L C -0.321 176.411 176.870 -0.230 0.000 1.014 420 L CA -0.941 53.785 54.840 -0.190 0.000 0.814 420 L CB 1.829 43.784 42.059 -0.173 0.000 1.257 420 L HN 0.822 nan 8.230 nan 0.000 0.424 421 V N 1.848 121.640 119.914 -0.204 0.000 2.823 421 V HA 0.867 5.001 4.120 0.023 0.000 0.312 421 V C -0.411 175.607 176.094 -0.127 0.000 1.072 421 V CA -0.619 61.564 62.300 -0.196 0.000 0.937 421 V CB 1.961 33.665 31.823 -0.199 0.000 1.013 421 V HN 0.951 nan 8.190 nan 0.000 0.430 422 M N 1.564 121.040 119.600 -0.205 0.000 3.012 422 M HA 0.708 5.201 4.480 0.023 0.000 0.272 422 M C -3.318 172.695 176.300 -0.478 0.000 1.187 422 M CA -1.560 53.511 55.300 -0.382 0.000 0.813 422 M CB 1.596 33.961 32.600 -0.392 0.000 1.626 422 M HN 0.358 nan 8.290 nan 0.000 0.507 423 P HA 0.253 nan 4.420 nan 0.000 0.271 423 P C 0.034 177.092 177.300 -0.403 0.000 1.216 423 P CA -0.019 62.779 63.100 -0.503 0.000 0.776 423 P CB 0.877 32.233 31.700 -0.572 0.000 0.881 424 T N 2.030 116.380 114.554 -0.340 0.000 2.737 424 T HA -0.012 4.352 4.350 0.023 0.000 0.265 424 T C 0.687 175.159 174.700 -0.379 0.000 1.038 424 T CA 1.253 63.158 62.100 -0.325 0.000 1.144 424 T CB -0.320 68.358 68.868 -0.317 0.000 0.866 424 T HN 0.267 nan 8.240 nan 0.000 0.434 425 L N 1.178 122.146 121.223 -0.424 0.000 2.401 425 L HA 0.362 4.715 4.340 0.023 0.000 0.266 425 L C -1.962 174.638 176.870 -0.450 0.000 0.991 425 L CA -2.211 52.321 54.840 -0.513 0.000 0.818 425 L CB 2.504 44.159 42.059 -0.674 0.000 1.321 425 L HN -0.163 nan 8.230 nan 0.000 0.413 426 P HA 0.011 nan 4.420 nan 0.000 0.253 426 P C -1.197 176.053 177.300 -0.083 0.000 1.281 426 P CA 0.529 63.439 63.100 -0.317 0.000 0.792 426 P CB -0.163 31.380 31.700 -0.263 0.000 1.193 427 Y N -3.166 117.121 120.300 -0.022 0.000 2.620 427 Y HA 0.418 4.981 4.550 0.022 0.000 0.331 427 Y C -0.473 175.536 175.900 0.182 0.000 1.173 427 Y CA -2.478 55.654 58.100 0.054 0.000 1.076 427 Y CB 0.171 38.664 38.460 0.056 0.000 1.336 427 Y HN -0.200 nan 8.280 nan 0.000 0.459 428 V N 0.312 120.442 119.914 0.361 0.000 3.185 428 V HA 0.803 4.936 4.120 0.023 0.000 0.305 428 V C 0.903 177.111 176.094 0.190 0.000 1.090 428 V CA -0.492 61.973 62.300 0.275 0.000 1.107 428 V CB 0.391 32.275 31.823 0.101 0.000 1.061 428 V HN 1.541 nan 8.190 nan 0.000 0.480 429 A N 3.424 126.164 122.820 -0.133 0.000 2.566 429 A HA 0.446 4.779 4.320 0.023 0.000 0.245 429 A C 0.856 178.272 177.584 -0.280 0.000 1.056 429 A CA 0.561 52.213 52.037 -0.641 0.000 0.757 429 A CB -0.940 17.724 19.000 -0.560 0.000 0.979 429 A HN 1.719 nan 8.150 nan 0.000 0.508 430 S N 2.612 118.151 115.700 -0.269 0.000 2.693 430 S HA 0.469 4.953 4.470 0.023 0.000 0.276 430 S C -0.127 174.387 174.600 -0.143 0.000 1.192 430 S CA -0.877 57.225 58.200 -0.163 0.000 0.994 430 S CB 0.625 63.727 63.200 -0.164 0.000 1.012 430 S HN 0.720 nan 8.310 nan 0.000 0.550 431 E N 0.588 120.723 120.200 -0.109 0.000 2.398 431 E HA 0.144 4.508 4.350 0.023 0.000 0.263 431 E C -0.482 176.056 176.600 -0.103 0.000 1.046 431 E CA -0.601 55.746 56.400 -0.089 0.000 0.908 431 E CB 0.231 29.888 29.700 -0.073 0.000 0.963 431 E HN 0.322 nan 8.360 nan 0.000 0.431 432 L N 3.943 125.118 121.223 -0.081 0.000 2.453 432 L HA 0.134 4.488 4.340 0.023 0.000 0.272 432 L C -1.382 175.400 176.870 -0.147 0.000 1.182 432 L CA -1.259 53.525 54.840 -0.093 0.000 0.858 432 L CB -0.797 41.241 42.059 -0.035 0.000 1.120 432 L HN 0.469 nan 8.230 nan 0.000 0.474 433 P HA 0.244 nan 4.420 nan 0.000 0.274 433 P C -0.993 176.211 177.300 -0.160 0.000 1.256 433 P CA -0.613 62.324 63.100 -0.272 0.000 0.795 433 P CB 0.899 32.290 31.700 -0.515 0.000 1.038 434 A N 1.599 124.355 122.820 -0.107 0.000 2.327 434 A HA 0.247 4.581 4.320 0.023 0.000 0.283 434 A C 0.716 178.288 177.584 -0.021 0.000 1.127 434 A CA -0.575 51.433 52.037 -0.048 0.000 0.810 434 A CB 0.116 19.097 19.000 -0.031 0.000 1.066 434 A HN 0.342 nan 8.150 nan 0.000 0.492 435 K N 1.332 121.740 120.400 0.014 0.000 3.256 435 K HA 0.019 4.352 4.320 0.023 0.000 0.285 435 K C -0.583 176.046 176.600 0.048 0.000 1.086 435 K CA 0.731 57.049 56.287 0.052 0.000 1.125 435 K CB -0.385 32.153 32.500 0.062 0.000 1.292 435 K HN 0.736 nan 8.250 nan 0.000 0.312 436 D N -1.167 119.255 120.400 0.037 0.000 2.530 436 D HA -0.021 4.632 4.640 0.023 0.000 0.290 436 D C -0.297 176.024 176.300 0.035 0.000 1.398 436 D CA -0.037 53.982 54.000 0.032 0.000 0.848 436 D CB 0.604 41.413 40.800 0.015 0.000 1.279 436 D HN -0.097 nan 8.370 nan 0.000 0.483 437 V N 0.888 120.829 119.914 0.046 0.000 3.083 437 V HA 0.044 4.178 4.120 0.023 0.000 0.303 437 V C 0.718 176.866 176.094 0.090 0.000 1.151 437 V CA -0.171 62.161 62.300 0.053 0.000 1.275 437 V CB 0.393 32.259 31.823 0.071 0.000 0.950 437 V HN 0.169 nan 8.190 nan 0.000 0.506 438 D N 1.136 121.584 120.400 0.080 0.000 2.264 438 D HA 0.214 4.868 4.640 0.023 0.000 0.250 438 D C 1.065 177.446 176.300 0.135 0.000 1.113 438 D CA -0.376 53.672 54.000 0.079 0.000 0.871 438 D CB 1.099 41.931 40.800 0.053 0.000 1.167 438 D HN 0.555 nan 8.370 nan 0.000 0.447 439 R N 3.288 123.837 120.500 0.082 0.000 2.103 439 R HA -0.226 4.127 4.340 0.023 0.000 0.242 439 R C 1.703 178.085 176.300 0.136 0.000 1.142 439 R CA 2.056 58.191 56.100 0.058 0.000 0.960 439 R CB -0.264 30.028 30.300 -0.014 0.000 0.858 439 R HN 0.536 nan 8.270 nan 0.000 0.439 440 A N -0.452 122.434 122.820 0.110 0.000 1.873 440 A HA -0.109 4.225 4.320 0.023 0.000 0.215 440 A C 2.199 179.876 177.584 0.156 0.000 1.186 440 A CA 1.921 54.029 52.037 0.118 0.000 0.616 440 A CB -0.884 18.163 19.000 0.078 0.000 0.823 440 A HN 0.493 nan 8.150 nan 0.000 0.442 441 T N -0.612 114.025 114.554 0.138 0.000 2.746 441 T HA -0.130 4.234 4.350 0.023 0.000 0.267 441 T C 1.623 176.436 174.700 0.189 0.000 1.039 441 T CA 1.489 63.658 62.100 0.116 0.000 1.142 441 T CB -0.431 68.468 68.868 0.052 0.000 0.866 441 T HN 0.428 nan 8.240 nan 0.000 0.444 442 F N 1.822 121.819 119.950 0.079 0.000 2.091 442 F HA -0.105 4.436 4.527 0.023 0.000 0.299 442 F C 1.962 177.948 175.800 0.310 0.000 1.103 442 F CA 1.024 59.139 58.000 0.191 0.000 1.228 442 F CB -0.514 38.602 39.000 0.194 0.000 0.984 442 F HN 0.105 nan 8.300 nan 0.000 0.477 443 I N -1.013 119.921 120.570 0.606 0.000 2.439 443 I HA -0.243 3.941 4.170 0.023 0.000 0.251 443 I C 2.076 178.388 176.117 0.325 0.000 1.139 443 I CA 1.487 63.063 61.300 0.461 0.000 1.438 443 I CB -0.660 37.525 38.000 0.309 0.000 1.085 443 I HN 0.135 nan 8.210 nan 0.000 0.427 444 T N 0.310 115.018 114.554 0.257 0.000 2.978 444 T HA -0.053 4.311 4.350 0.023 0.000 0.262 444 T C 1.813 176.635 174.700 0.204 0.000 1.063 444 T CA 0.871 63.091 62.100 0.200 0.000 1.140 444 T CB 0.014 68.968 68.868 0.143 0.000 0.886 444 T HN 0.256 nan 8.240 nan 0.000 0.470 445 K N 0.952 121.478 120.400 0.209 0.000 2.432 445 K HA 0.217 4.550 4.320 0.023 0.000 0.196 445 K C 1.970 178.766 176.600 0.327 0.000 1.038 445 K CA 0.619 57.035 56.287 0.215 0.000 0.986 445 K CB 0.115 32.671 32.500 0.092 0.000 0.782 445 K HN 0.227 nan 8.250 nan 0.000 0.485 446 A N -0.127 122.879 122.820 0.310 0.000 2.288 446 A HA 0.136 4.470 4.320 0.023 0.000 0.216 446 A C 1.214 178.896 177.584 0.164 0.000 1.199 446 A CA 0.261 52.394 52.037 0.161 0.000 0.891 446 A CB 0.452 19.428 19.000 -0.041 0.000 0.923 446 A HN 0.088 nan 8.150 nan 0.000 0.500 447 L N -1.565 119.788 121.223 0.216 0.000 3.086 447 L HA 0.306 4.660 4.340 0.023 0.000 0.274 447 L C 1.881 178.842 176.870 0.153 0.000 1.184 447 L CA 0.817 55.782 54.840 0.209 0.000 1.002 447 L CB 0.437 42.677 42.059 0.302 0.000 1.383 447 L HN 0.284 nan 8.230 nan 0.000 0.582 448 G N -0.058 108.838 108.800 0.159 0.000 2.985 448 G HA2 -0.008 3.966 3.960 0.023 0.000 0.209 448 G HA3 -0.008 3.966 3.960 0.023 0.000 0.209 448 G C 1.148 176.075 174.900 0.045 0.000 1.165 448 G CA 0.322 45.494 45.100 0.119 0.000 0.776 448 G HN 0.245 nan 8.290 nan 0.000 0.541 449 M N 0.445 120.034 119.600 -0.017 0.000 2.484 449 M HA 0.391 4.885 4.480 0.023 0.000 0.307 449 M C 0.998 177.124 176.300 -0.290 0.000 1.149 449 M CA -0.112 55.040 55.300 -0.246 0.000 0.972 449 M CB -0.565 31.842 32.600 -0.321 0.000 1.400 449 M HN 0.248 nan 8.290 nan 0.000 0.508 450 I N -2.762 117.654 120.570 -0.255 0.000 3.941 450 I HA 0.479 4.663 4.170 0.023 0.000 0.335 450 I C 1.609 177.493 176.117 -0.388 0.000 1.402 450 I CA 0.144 61.254 61.300 -0.317 0.000 1.112 450 I CB -0.157 37.657 38.000 -0.310 0.000 1.043 450 I HN 0.084 nan 8.210 nan 0.000 0.395 451 A N 2.219 124.770 122.820 -0.449 0.000 1.908 451 A HA -0.180 4.153 4.320 0.023 0.000 0.218 451 A C 1.948 179.327 177.584 -0.343 0.000 1.181 451 A CA 2.068 53.761 52.037 -0.574 0.000 0.627 451 A CB -0.568 18.123 19.000 -0.516 0.000 0.818 451 A HN 0.535 nan 8.150 nan 0.000 0.445 452 N N -1.011 117.585 118.700 -0.173 0.000 2.402 452 N HA -0.059 4.695 4.740 0.023 0.000 0.174 452 N C 1.958 177.454 175.510 -0.023 0.000 1.027 452 N CA 1.822 54.880 53.050 0.013 0.000 0.891 452 N CB -0.449 38.042 38.487 0.007 0.000 1.016 452 N HN 0.697 nan 8.380 nan 0.000 0.439 453 T N -1.362 113.094 114.554 -0.164 0.000 2.770 453 T HA 0.132 4.496 4.350 0.023 0.000 0.258 453 T C 2.073 176.612 174.700 -0.270 0.000 1.039 453 T CA 1.092 63.096 62.100 -0.160 0.000 1.143 453 T CB -0.552 68.166 68.868 -0.249 0.000 0.866 453 T HN 0.067 nan 8.240 nan 0.000 0.428 454 A N 3.320 125.846 122.820 -0.490 0.000 1.903 454 A HA -0.009 4.324 4.320 0.023 0.000 0.219 454 A C 0.481 177.712 177.584 -0.587 0.000 1.191 454 A CA 1.800 53.326 52.037 -0.853 0.000 0.638 454 A CB -1.835 16.305 19.000 -1.433 0.000 0.823 454 A HN 0.475 nan 8.150 nan 0.000 0.451 455 P HA -0.186 nan 4.420 nan 0.000 0.216 455 P C 0.968 178.048 177.300 -0.366 0.000 1.154 455 P CA 1.350 64.228 63.100 -0.371 0.000 0.865 455 P CB -0.243 31.133 31.700 -0.541 0.000 0.789 456 F N -0.935 118.948 119.950 -0.112 0.000 2.604 456 F HA -0.076 4.464 4.527 0.023 0.000 0.298 456 F C 1.996 177.741 175.800 -0.091 0.000 1.131 456 F CA 0.699 58.622 58.000 -0.128 0.000 1.457 456 F CB -0.552 38.304 39.000 -0.241 0.000 1.095 456 F HN -0.047 nan 8.300 nan 0.000 0.574 457 D N -0.202 120.198 120.400 -0.000 0.000 2.149 457 D HA -0.130 4.524 4.640 0.023 0.000 0.201 457 D C 2.418 178.846 176.300 0.212 0.000 0.972 457 D CA 1.102 55.148 54.000 0.077 0.000 0.835 457 D CB -0.212 40.648 40.800 0.100 0.000 0.966 457 D HN 0.210 nan 8.370 nan 0.000 0.476 458 V N 1.310 121.351 119.914 0.211 0.000 2.488 458 V HA -0.146 3.988 4.120 0.023 0.000 0.246 458 V C 2.537 178.681 176.094 0.084 0.000 1.046 458 V CA 2.292 64.680 62.300 0.146 0.000 1.053 458 V CB -0.242 31.700 31.823 0.199 0.000 0.679 458 V HN 0.296 nan 8.190 nan 0.000 0.458 459 T N -3.155 111.507 114.554 0.179 0.000 3.014 459 T HA 0.208 4.572 4.350 0.023 0.000 0.263 459 T C 1.692 176.520 174.700 0.214 0.000 1.078 459 T CA 1.220 63.480 62.100 0.267 0.000 1.135 459 T CB 0.311 69.512 68.868 0.556 0.000 0.895 459 T HN 1.256 nan 8.240 nan 0.000 0.480 460 G N 0.916 109.814 108.800 0.163 0.000 2.195 460 G HA2 -0.234 3.740 3.960 0.023 0.000 0.246 460 G HA3 -0.234 3.740 3.960 0.023 0.000 0.246 460 G C -0.066 174.663 174.900 -0.284 0.000 0.984 460 G CA 0.086 45.242 45.100 0.094 0.000 0.633 460 G HN 0.790 nan 8.290 nan 0.000 0.525 461 H N 2.599 121.492 119.070 -0.296 0.000 2.972 461 H HA 0.355 4.925 4.556 0.023 0.000 0.343 461 H C -1.736 173.348 175.328 -0.407 0.000 1.054 461 H CA 0.310 56.064 56.048 -0.491 0.000 1.412 461 H CB 0.527 30.129 29.762 -0.266 0.000 1.385 461 H HN 0.227 nan 8.280 nan 0.000 0.600 462 P HA 0.014 nan 4.420 nan 0.000 0.271 462 P C -0.613 176.483 177.300 -0.340 0.000 1.216 462 P CA -0.071 62.842 63.100 -0.310 0.000 0.771 462 P CB 1.118 32.708 31.700 -0.183 0.000 0.864 463 S N 3.150 118.597 115.700 -0.422 0.000 2.672 463 S HA 0.531 5.014 4.470 0.023 0.000 0.291 463 S C -1.225 173.203 174.600 -0.287 0.000 1.145 463 S CA -0.687 57.271 58.200 -0.404 0.000 1.013 463 S CB 0.320 63.249 63.200 -0.450 0.000 1.017 463 S HN 0.365 nan 8.310 nan 0.000 0.487 464 L N 4.561 125.694 121.223 -0.149 0.000 2.341 464 L HA 0.766 5.120 4.340 0.023 0.000 0.278 464 L C -0.323 176.478 176.870 -0.115 0.000 1.005 464 L CA 0.058 54.887 54.840 -0.018 0.000 0.818 464 L CB 1.989 44.105 42.059 0.095 0.000 1.259 464 L HN 0.589 nan 8.230 nan 0.000 0.418 465 S N 4.118 119.751 115.700 -0.111 0.000 2.433 465 S HA 0.702 5.186 4.470 0.023 0.000 0.310 465 S C -1.120 173.409 174.600 -0.119 0.000 1.097 465 S CA -0.502 57.608 58.200 -0.149 0.000 1.103 465 S CB 1.095 64.189 63.200 -0.178 0.000 0.992 465 S HN 0.693 nan 8.310 nan 0.000 0.469 466 V N 7.032 126.873 119.914 -0.122 0.000 2.588 466 V HA 0.640 4.774 4.120 0.023 0.000 0.304 466 V C -2.672 173.356 176.094 -0.111 0.000 1.042 466 V CA -2.451 59.804 62.300 -0.075 0.000 0.877 466 V CB 1.953 33.797 31.823 0.035 0.000 0.996 466 V HN 0.750 nan 8.190 nan 0.000 0.425 467 P HA 0.156 nan 4.420 nan 0.000 0.261 467 P C -0.070 177.154 177.300 -0.126 0.000 1.183 467 P CA 0.494 63.296 63.100 -0.496 0.000 0.761 467 P CB 1.027 31.947 31.700 -1.300 0.000 0.785 468 A N 3.217 126.052 122.820 0.024 0.000 2.343 468 A HA 0.608 4.942 4.320 0.023 0.000 0.223 468 A C 0.885 178.675 177.584 0.342 0.000 1.214 468 A CA 0.798 53.014 52.037 0.297 0.000 0.900 468 A CB -0.153 18.914 19.000 0.112 0.000 0.942 468 A HN 0.654 nan 8.150 nan 0.000 0.507 469 G N -1.376 107.682 108.800 0.431 0.000 2.362 469 G HA2 0.347 4.321 3.960 0.023 0.000 0.288 469 G HA3 0.347 4.321 3.960 0.023 0.000 0.288 469 G C -1.600 173.466 174.900 0.277 0.000 1.305 469 G CA -0.812 44.531 45.100 0.405 0.000 0.910 469 G HN 0.406 nan 8.290 nan 0.000 0.518 470 L N -0.363 120.911 121.223 0.086 0.000 2.346 470 L HA 0.785 5.139 4.340 0.023 0.000 0.274 470 L C -0.432 176.444 176.870 0.010 0.000 1.007 470 L CA -1.237 53.602 54.840 -0.001 0.000 0.818 470 L CB 2.223 44.238 42.059 -0.074 0.000 1.284 470 L HN 0.395 nan 8.230 nan 0.000 0.424 471 V N 2.728 122.643 119.914 0.001 0.000 2.447 471 V HA 0.318 4.452 4.120 0.023 0.000 0.292 471 V C -0.219 175.882 176.094 0.013 0.000 1.021 471 V CA -0.614 61.695 62.300 0.015 0.000 0.850 471 V CB 1.337 33.175 31.823 0.025 0.000 1.005 471 V HN 0.903 nan 8.190 nan 0.000 0.426 472 N N 4.220 122.930 118.700 0.017 0.000 2.740 472 N HA -0.207 4.547 4.740 0.023 0.000 0.248 472 N C 1.206 176.734 175.510 0.029 0.000 1.062 472 N CA 1.444 54.507 53.050 0.021 0.000 0.704 472 N CB -1.012 37.485 38.487 0.018 0.000 0.968 472 N HN 1.506 nan 8.380 nan 0.000 0.547 473 G N -1.476 107.343 108.800 0.031 0.000 2.184 473 G HA2 -0.330 3.644 3.960 0.023 0.000 0.264 473 G HA3 -0.330 3.644 3.960 0.023 0.000 0.264 473 G C 0.047 174.970 174.900 0.038 0.000 0.975 473 G CA 0.773 45.913 45.100 0.067 0.000 0.642 473 G HN 0.434 nan 8.290 nan 0.000 0.536 474 L N 0.839 122.042 121.223 -0.034 0.000 2.325 474 L HA 0.492 4.846 4.340 0.023 0.000 0.278 474 L C -2.171 174.575 176.870 -0.208 0.000 1.023 474 L CA -2.487 52.276 54.840 -0.127 0.000 0.811 474 L CB 1.908 43.943 42.059 -0.041 0.000 1.249 474 L HN -0.174 nan 8.230 nan 0.000 0.431 475 P HA 0.070 nan 4.420 nan 0.000 0.268 475 P C -0.986 176.254 177.300 -0.100 0.000 1.205 475 P CA -0.152 62.789 63.100 -0.266 0.000 0.771 475 P CB 0.901 32.310 31.700 -0.484 0.000 0.858 476 V N 0.367 120.244 119.914 -0.061 0.000 2.914 476 V HA 0.989 5.123 4.120 0.023 0.000 0.314 476 V C -0.120 175.899 176.094 -0.124 0.000 1.084 476 V CA -0.898 61.361 62.300 -0.067 0.000 0.963 476 V CB 1.991 33.797 31.823 -0.028 0.000 1.025 476 V HN 0.617 nan 8.190 nan 0.000 0.432 477 G N 2.374 111.072 108.800 -0.170 0.000 2.524 477 G HA2 0.649 4.622 3.960 0.023 0.000 0.310 477 G HA3 0.649 4.622 3.960 0.023 0.000 0.310 477 G C -1.144 173.629 174.900 -0.211 0.000 1.279 477 G CA -0.929 44.053 45.100 -0.197 0.000 0.974 477 G HN 1.070 nan 8.290 nan 0.000 0.484 478 M N 2.689 122.162 119.600 -0.212 0.000 2.180 478 M HA 0.630 5.123 4.480 0.023 0.000 0.350 478 M C -0.573 175.569 176.300 -0.262 0.000 1.125 478 M CA -0.700 54.438 55.300 -0.269 0.000 1.031 478 M CB 1.474 33.843 32.600 -0.386 0.000 1.623 478 M HN 0.495 nan 8.290 nan 0.000 0.451 479 M N 6.333 125.771 119.600 -0.271 0.000 2.129 479 M HA 0.495 4.988 4.480 0.023 0.000 0.348 479 M C -1.686 174.449 176.300 -0.275 0.000 1.116 479 M CA -0.431 54.712 55.300 -0.261 0.000 1.022 479 M CB 0.786 33.229 32.600 -0.262 0.000 1.599 479 M HN 0.684 nan 8.290 nan 0.000 0.449 480 I N 4.510 124.929 120.570 -0.252 0.000 2.330 480 I HA 0.364 4.547 4.170 0.023 0.000 0.289 480 I C -0.506 175.436 176.117 -0.292 0.000 1.001 480 I CA -0.440 60.715 61.300 -0.243 0.000 1.193 480 I CB 1.759 39.655 38.000 -0.172 0.000 1.345 480 I HN 0.578 nan 8.210 nan 0.000 0.461 481 T N 4.261 118.584 114.554 -0.384 0.000 2.841 481 T HA 0.718 5.082 4.350 0.023 0.000 0.283 481 T C 0.166 174.663 174.700 -0.340 0.000 1.000 481 T CA -0.651 61.135 62.100 -0.523 0.000 0.977 481 T CB 2.065 70.271 68.868 -1.103 0.000 0.979 481 T HN 0.821 nan 8.240 nan 0.000 0.446 482 G N 1.235 109.896 108.800 -0.231 0.000 3.086 482 G HA2 0.627 4.600 3.960 0.023 0.000 0.282 482 G HA3 0.627 4.600 3.960 0.023 0.000 0.282 482 G C -0.882 174.045 174.900 0.047 0.000 1.343 482 G CA -1.044 44.010 45.100 -0.078 0.000 0.895 482 G HN 0.633 nan 8.290 nan 0.000 0.557 483 R N -0.526 120.049 120.500 0.125 0.000 2.734 483 R HA 0.172 4.526 4.340 0.023 0.000 0.266 483 R C -0.453 175.927 176.300 0.133 0.000 1.044 483 R CA -0.259 55.978 56.100 0.229 0.000 1.128 483 R CB 0.123 30.542 30.300 0.199 0.000 1.010 483 R HN 0.548 nan 8.270 nan 0.000 0.461 484 H N 1.928 121.005 119.070 0.012 0.000 3.070 484 H HA -0.072 4.498 4.556 0.022 0.000 0.313 484 H C -0.050 175.273 175.328 -0.009 0.000 0.997 484 H CA 1.134 57.075 56.048 -0.179 0.000 1.438 484 H CB -0.126 29.534 29.762 -0.170 0.000 1.455 484 H HN 0.508 nan 8.280 nan 0.000 0.575 485 F N 0.376 120.399 119.950 0.121 0.000 2.988 485 F HA -0.254 4.287 4.527 0.022 0.000 0.287 485 F C 0.874 176.758 175.800 0.139 0.000 0.781 485 F CA 0.970 59.050 58.000 0.133 0.000 1.221 485 F CB -1.374 37.707 39.000 0.135 0.000 1.392 485 F HN 0.553 nan 8.300 nan 0.000 0.425 486 D N 0.006 120.526 120.400 0.200 0.000 2.755 486 D HA 0.209 4.863 4.640 0.023 0.000 0.257 486 D C 1.105 177.490 176.300 0.142 0.000 1.291 486 D CA 0.118 54.223 54.000 0.174 0.000 0.836 486 D CB -0.067 40.812 40.800 0.131 0.000 1.059 486 D HN 0.257 nan 8.370 nan 0.000 0.486 487 D N -0.117 120.385 120.400 0.171 0.000 2.149 487 D HA -0.164 4.489 4.640 0.023 0.000 0.198 487 D C 2.061 178.413 176.300 0.087 0.000 0.990 487 D CA 1.396 55.456 54.000 0.100 0.000 0.839 487 D CB 0.115 40.917 40.800 0.005 0.000 0.948 487 D HN 0.347 nan 8.370 nan 0.000 0.460 488 A N 0.133 123.115 122.820 0.270 0.000 1.883 488 A HA -0.227 4.107 4.320 0.023 0.000 0.217 488 A C 2.318 179.963 177.584 0.102 0.000 1.186 488 A CA 2.146 54.332 52.037 0.248 0.000 0.624 488 A CB -1.039 18.090 19.000 0.215 0.000 0.822 488 A HN 0.231 nan 8.150 nan 0.000 0.444 489 T N -0.597 114.008 114.554 0.085 0.000 2.821 489 T HA -0.060 4.304 4.350 0.023 0.000 0.267 489 T C 1.850 176.564 174.700 0.024 0.000 1.046 489 T CA 1.298 63.429 62.100 0.052 0.000 1.139 489 T CB -0.309 68.591 68.868 0.055 0.000 0.871 489 T HN 0.153 nan 8.240 nan 0.000 0.454 490 V N 1.503 121.424 119.914 0.012 0.000 2.343 490 V HA -0.116 4.018 4.120 0.023 0.000 0.247 490 V C 2.442 178.507 176.094 -0.048 0.000 1.051 490 V CA 1.489 63.777 62.300 -0.021 0.000 1.036 490 V CB -0.603 31.219 31.823 -0.001 0.000 0.654 490 V HN 0.428 nan 8.190 nan 0.000 0.451 491 L N -0.477 120.697 121.223 -0.082 0.000 2.056 491 L HA -0.174 4.180 4.340 0.023 0.000 0.207 491 L C 2.706 179.560 176.870 -0.026 0.000 1.078 491 L CA 1.871 56.646 54.840 -0.108 0.000 0.749 491 L CB -0.597 41.366 42.059 -0.160 0.000 0.901 491 L HN 0.255 nan 8.230 nan 0.000 0.433 492 R N 0.013 120.516 120.500 0.006 0.000 2.083 492 R HA -0.170 4.184 4.340 0.023 0.000 0.237 492 R C 2.185 178.507 176.300 0.037 0.000 1.137 492 R CA 1.828 57.945 56.100 0.029 0.000 0.951 492 R CB -0.331 29.991 30.300 0.037 0.000 0.851 492 R HN 0.124 nan 8.270 nan 0.000 0.434 493 V N 0.382 120.314 119.914 0.028 0.000 2.343 493 V HA -0.165 3.969 4.120 0.023 0.000 0.247 493 V C 2.393 178.530 176.094 0.070 0.000 1.051 493 V CA 2.064 64.388 62.300 0.040 0.000 1.036 493 V CB -0.983 30.844 31.823 0.007 0.000 0.654 493 V HN 0.707 nan 8.190 nan 0.000 0.451 494 G N 0.020 108.845 108.800 0.042 0.000 2.418 494 G HA2 -0.328 3.645 3.960 0.023 0.000 0.217 494 G HA3 -0.328 3.645 3.960 0.023 0.000 0.217 494 G C 1.663 176.635 174.900 0.122 0.000 1.158 494 G CA 1.075 46.222 45.100 0.080 0.000 0.771 494 G HN 0.422 nan 8.290 nan 0.000 0.545 495 R N 1.339 121.883 120.500 0.074 0.000 2.070 495 R HA 0.098 4.452 4.340 0.023 0.000 0.233 495 R C 2.786 179.132 176.300 0.077 0.000 1.137 495 R CA 1.987 58.130 56.100 0.072 0.000 0.945 495 R CB -1.189 29.148 30.300 0.063 0.000 0.845 495 R HN 0.227 nan 8.270 nan 0.000 0.430 496 A N -0.179 122.693 122.820 0.086 0.000 1.917 496 A HA -0.189 4.144 4.320 0.023 0.000 0.219 496 A C 2.327 179.978 177.584 0.112 0.000 1.182 496 A CA 1.660 53.748 52.037 0.085 0.000 0.633 496 A CB -1.006 18.046 19.000 0.086 0.000 0.819 496 A HN 0.555 nan 8.150 nan 0.000 0.448 497 F N 0.598 120.553 119.950 0.009 0.000 2.171 497 F HA -0.153 4.387 4.527 0.023 0.000 0.300 497 F C 2.230 178.044 175.800 0.022 0.000 1.090 497 F CA 1.964 59.970 58.000 0.010 0.000 1.293 497 F CB -0.091 38.905 39.000 -0.006 0.000 1.013 497 F HN 0.342 nan 8.300 nan 0.000 0.486 498 E N 0.533 120.667 120.200 -0.110 0.000 2.058 498 E HA -0.258 4.106 4.350 0.023 0.000 0.194 498 E C 2.086 178.588 176.600 -0.164 0.000 0.997 498 E CA 1.747 58.041 56.400 -0.176 0.000 0.801 498 E CB -0.136 29.551 29.700 -0.022 0.000 0.746 498 E HN 0.488 nan 8.360 nan 0.000 0.450 499 K N 0.470 120.822 120.400 -0.080 0.000 2.032 499 K HA -0.196 4.138 4.320 0.023 0.000 0.209 499 K C 2.246 178.796 176.600 -0.084 0.000 1.048 499 K CA 1.106 57.360 56.287 -0.055 0.000 0.927 499 K CB -0.264 32.227 32.500 -0.015 0.000 0.712 499 K HN 0.037 nan 8.250 nan 0.000 0.441 500 L N 1.678 122.836 121.223 -0.107 0.000 1.994 500 L HA -0.144 4.209 4.340 0.023 0.000 0.208 500 L C 2.436 179.203 176.870 -0.171 0.000 1.071 500 L CA 1.655 56.436 54.840 -0.099 0.000 0.745 500 L CB -0.485 41.548 42.059 -0.042 0.000 0.892 500 L HN 0.068 nan 8.230 nan 0.000 0.431 501 R N -0.116 120.155 120.500 -0.382 0.000 2.105 501 R HA 0.034 4.388 4.340 0.023 0.000 0.239 501 R C 0.790 176.987 176.300 -0.171 0.000 1.135 501 R CA 0.958 56.828 56.100 -0.382 0.000 0.967 501 R CB -0.436 29.410 30.300 -0.757 0.000 0.861 501 R HN 0.618 nan 8.270 nan 0.000 0.442 502 G N -1.180 107.536 108.800 -0.140 0.000 2.712 502 G HA2 -0.095 3.878 3.960 0.023 0.000 0.683 502 G HA3 -0.095 3.878 3.960 0.023 0.000 0.683 502 G C -0.642 174.247 174.900 -0.020 0.000 1.320 502 G CA -0.372 44.691 45.100 -0.062 0.000 0.847 502 G HN 0.560 nan 8.290 nan 0.000 0.553 503 A N -0.122 122.701 122.820 0.005 0.000 2.567 503 A HA 0.462 4.796 4.320 0.023 0.000 0.240 503 A C 0.086 177.723 177.584 0.088 0.000 1.053 503 A CA 0.884 52.950 52.037 0.048 0.000 0.755 503 A CB 0.031 19.048 19.000 0.027 0.000 0.978 503 A HN 1.874 nan 8.150 nan 0.000 0.507 504 F N 5.378 125.339 119.950 0.018 0.000 2.404 504 F HA 0.500 5.041 4.527 0.023 0.000 0.345 504 F C -1.381 174.490 175.800 0.118 0.000 1.110 504 F CA -2.087 55.949 58.000 0.060 0.000 1.130 504 F CB 1.036 40.075 39.000 0.066 0.000 1.129 504 F HN 0.514 nan 8.300 nan 0.000 0.500 505 P HA 0.034 nan 4.420 nan 0.000 0.268 505 P C -0.788 176.661 177.300 0.248 0.000 1.208 505 P CA -0.130 62.962 63.100 -0.014 0.000 0.777 505 P CB 0.666 32.323 31.700 -0.071 0.000 0.875 506 T N 3.331 117.907 114.554 0.037 0.000 2.875 506 T HA 0.267 4.631 4.350 0.023 0.000 0.284 506 T C -1.230 173.112 174.700 -0.596 0.000 0.995 506 T CA -1.325 60.719 62.100 -0.093 0.000 1.060 506 T CB 1.143 69.962 68.868 -0.082 0.000 0.967 506 T HN 0.370 nan 8.240 nan 0.000 0.476 507 P HA -0.048 nan 4.420 nan 0.000 0.226 507 P C 0.757 177.644 177.300 -0.689 0.000 1.146 507 P CA 0.552 62.713 63.100 -1.566 0.000 0.773 507 P CB 0.141 30.937 31.700 -1.506 0.000 0.772 508 A N -0.910 121.653 122.820 -0.428 0.000 2.238 508 A HA 0.090 4.423 4.320 0.023 0.000 0.210 508 A C 1.102 178.571 177.584 -0.192 0.000 1.179 508 A CA 0.129 52.019 52.037 -0.244 0.000 0.827 508 A CB -0.300 18.601 19.000 -0.165 0.000 0.856 508 A HN 0.191 nan 8.150 nan 0.000 0.488 509 E N 0.000 120.067 120.200 -0.222 0.000 2.725 509 E HA 0.000 4.364 4.350 0.023 0.000 0.291 509 E CA 0.000 56.316 56.400 -0.141 0.000 0.976 509 E CB 0.000 29.636 29.700 -0.107 0.000 0.812 509 E HN 0.000 nan 8.360 nan 0.000 0.440