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 1n1e_1_A DATA FIRST_RESID 9 DATA SEQUENCE KDELLYLNKA VVFGSGAFGT ALAMVLSKKC REVCVWHMNE EEVRLVNEKR DATA SEQUENCE ENVLFLKGVQ LASNITFTSD VEKAYNGAEI ILFVIPTQFL RGFFEKSGGN DATA SEQUENCE LIAYAKEKQV PVLVCTKGIE RSTLKFPAEI IGEFLPSPLL SVLAGPSFAI DATA SEQUENCE EVATGVFTCV SIASADINVA RRLQRIMSTG DRSFVCWATT DTVGCEVASA DATA SEQUENCE VKNVLAIGSG VANGLGMGLN ARAALIMRGL LEIRDLTAAL GGDGSAVFGL DATA SEQUENCE AGLGDLQLTC SSELSRNFTV GKKLGKGLPI EEIQRTSKAV AEGVATADPL DATA SEQUENCE MRLAKQLKVK MPLCHQIYEI VYKKKNPRDA LADLLSCGLQ DEGLPPLFK 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.585 176.600 -0.026 0.000 0.988 9 K CA 0.000 56.278 56.287 -0.014 0.000 0.838 9 K CB 0.000 32.495 32.500 -0.009 0.000 1.064 10 D N 1.596 121.979 120.400 -0.028 0.000 2.501 10 D HA 0.065 4.705 4.640 -0.000 0.000 0.226 10 D C -0.666 175.612 176.300 -0.036 0.000 1.198 10 D CA -0.048 53.925 54.000 -0.044 0.000 0.830 10 D CB 0.637 41.405 40.800 -0.053 0.000 1.014 10 D HN 0.522 nan 8.370 nan 0.000 0.496 11 E N 0.459 120.647 120.200 -0.021 0.000 2.301 11 E HA 0.302 4.652 4.350 -0.000 0.000 0.275 11 E C 0.182 176.765 176.600 -0.028 0.000 1.030 11 E CA -0.412 55.984 56.400 -0.007 0.000 0.852 11 E CB 1.583 31.293 29.700 0.017 0.000 1.060 11 E HN 0.056 nan 8.360 nan 0.000 0.401 12 L N 3.385 124.584 121.223 -0.040 0.000 2.452 12 L HA 0.204 4.544 4.340 -0.000 0.000 0.267 12 L C -0.122 176.643 176.870 -0.175 0.000 1.188 12 L CA -0.150 54.598 54.840 -0.153 0.000 0.821 12 L CB 0.151 42.064 42.059 -0.243 0.000 1.102 12 L HN 0.347 nan 8.230 nan 0.000 0.470 13 L N 2.005 123.073 121.223 -0.259 0.000 2.331 13 L HA 0.470 4.810 4.340 -0.000 0.000 0.275 13 L C -1.090 175.548 176.870 -0.385 0.000 1.022 13 L CA -0.569 54.164 54.840 -0.178 0.000 0.812 13 L CB 1.443 43.453 42.059 -0.083 0.000 1.257 13 L HN 0.361 nan 8.230 nan 0.000 0.435 14 Y N 2.103 122.404 120.300 0.002 0.000 2.446 14 Y HA 0.614 5.163 4.550 -0.000 0.000 0.345 14 Y C -0.215 175.685 175.900 0.001 0.000 0.984 14 Y CA -0.653 57.447 58.100 -0.000 0.000 1.058 14 Y CB 1.888 40.347 38.460 -0.000 0.000 1.220 14 Y HN 0.276 nan 8.280 nan 0.000 0.455 15 L N 1.783 123.086 121.223 0.134 0.000 2.313 15 L HA 0.465 4.805 4.340 -0.000 0.000 0.268 15 L C 0.645 177.559 176.870 0.074 0.000 1.010 15 L CA -0.967 53.921 54.840 0.079 0.000 0.814 15 L CB 1.341 43.425 42.059 0.041 0.000 1.304 15 L HN 0.680 nan 8.230 nan 0.000 0.441 16 N N 0.528 119.260 118.700 0.054 0.000 2.171 16 N HA -0.035 4.705 4.740 -0.000 0.000 0.184 16 N C 0.055 175.582 175.510 0.028 0.000 1.021 16 N CA 1.195 54.268 53.050 0.040 0.000 0.854 16 N CB 0.343 38.853 38.487 0.039 0.000 0.994 16 N HN 0.450 nan 8.380 nan 0.000 0.426 17 K N -0.391 120.025 120.400 0.028 0.000 2.542 17 K HA 0.570 4.890 4.320 -0.000 0.000 0.259 17 K C -1.984 174.619 176.600 0.005 0.000 0.932 17 K CA -0.539 55.753 56.287 0.009 0.000 0.820 17 K CB 2.200 34.706 32.500 0.010 0.000 1.345 17 K HN -0.027 nan 8.250 nan 0.000 0.432 18 A N 2.197 124.998 122.820 -0.031 0.000 2.413 18 A HA 0.719 5.039 4.320 -0.000 0.000 0.307 18 A C -1.577 175.940 177.584 -0.111 0.000 1.087 18 A CA -0.719 51.285 52.037 -0.055 0.000 0.750 18 A CB 2.017 20.972 19.000 -0.075 0.000 1.296 18 A HN 0.418 nan 8.150 nan 0.000 0.423 19 V N 2.065 121.893 119.914 -0.144 0.000 2.604 19 V HA 0.669 4.789 4.120 -0.000 0.000 0.305 19 V C -1.170 174.695 176.094 -0.382 0.000 1.043 19 V CA -0.427 61.698 62.300 -0.292 0.000 0.888 19 V CB 1.826 33.459 31.823 -0.317 0.000 0.995 19 V HN 0.760 nan 8.190 nan 0.000 0.429 20 V N 7.534 127.165 119.914 -0.472 0.000 2.350 20 V HA 0.470 4.590 4.120 -0.000 0.000 0.285 20 V C -0.577 175.207 176.094 -0.517 0.000 1.014 20 V CA -0.364 61.687 62.300 -0.414 0.000 0.831 20 V CB 1.254 32.888 31.823 -0.314 0.000 1.000 20 V HN 0.754 nan 8.190 nan 0.000 0.433 21 F N 3.402 123.180 119.950 -0.287 0.000 2.368 21 F HA 0.682 5.209 4.527 -0.000 0.000 0.362 21 F C 0.963 176.713 175.800 -0.082 0.000 1.137 21 F CA -0.033 57.843 58.000 -0.206 0.000 1.161 21 F CB 1.351 40.009 39.000 -0.570 0.000 1.265 21 F HN 0.673 nan 8.300 nan 0.000 0.530 22 G N 1.045 109.936 108.800 0.152 0.000 2.362 22 G HA2 0.107 4.067 3.960 -0.000 0.000 0.189 22 G HA3 0.107 4.067 3.960 -0.000 0.000 0.189 22 G C -0.005 174.904 174.900 0.014 0.000 1.374 22 G CA -0.409 44.750 45.100 0.098 0.000 1.140 22 G HN 0.669 nan 8.290 nan 0.000 0.611 23 S N 0.707 116.434 115.700 0.045 0.000 2.557 23 S HA 0.527 4.997 4.470 -0.000 0.000 0.223 23 S C 1.416 176.065 174.600 0.081 0.000 0.969 23 S CA 0.659 58.915 58.200 0.094 0.000 0.927 23 S CB 0.786 64.135 63.200 0.249 0.000 0.806 23 S HN 1.526 nan 8.310 nan 0.000 0.489 24 G N 0.928 109.677 108.800 -0.086 0.000 2.516 24 G HA2 0.524 4.484 3.960 -0.000 0.000 0.276 24 G HA3 0.524 4.484 3.960 -0.000 0.000 0.276 24 G C 1.162 176.122 174.900 0.101 0.000 1.390 24 G CA -0.302 44.680 45.100 -0.198 0.000 1.050 24 G HN 0.427 nan 8.290 nan 0.000 0.519 25 A N -0.888 122.030 122.820 0.164 0.000 1.892 25 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 25 A C 2.161 179.898 177.584 0.256 0.000 1.188 25 A CA 1.966 54.137 52.037 0.223 0.000 0.631 25 A CB -0.657 18.474 19.000 0.219 0.000 0.822 25 A HN 0.615 nan 8.150 nan 0.000 0.447 26 F N 0.256 120.251 119.950 0.076 0.000 2.234 26 F HA 0.073 4.600 4.527 -0.000 0.000 0.296 26 F C 2.416 178.240 175.800 0.040 0.000 1.089 26 F CA 0.818 58.861 58.000 0.072 0.000 1.343 26 F CB -0.183 38.867 39.000 0.084 0.000 1.040 26 F HN 0.303 nan 8.300 nan 0.000 0.498 27 G N -0.577 108.232 108.800 0.015 0.000 2.440 27 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 27 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 27 G C 1.563 176.386 174.900 -0.128 0.000 1.154 27 G CA 1.469 46.501 45.100 -0.114 0.000 0.767 27 G HN 0.325 nan 8.290 nan 0.000 0.552 28 T N 1.565 116.116 114.554 -0.006 0.000 2.777 28 T HA 0.075 4.425 4.350 -0.000 0.000 0.266 28 T C 2.839 177.531 174.700 -0.014 0.000 1.040 28 T CA 1.393 63.522 62.100 0.049 0.000 1.141 28 T CB -0.371 68.611 68.868 0.190 0.000 0.868 28 T HN 0.373 nan 8.240 nan 0.000 0.444 29 A N 1.447 124.259 122.820 -0.013 0.000 1.883 29 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 29 A C 2.285 179.744 177.584 -0.208 0.000 1.186 29 A CA 1.348 53.359 52.037 -0.043 0.000 0.624 29 A CB -0.918 18.137 19.000 0.091 0.000 0.822 29 A HN 0.484 nan 8.150 nan 0.000 0.444 30 L N -0.996 120.001 121.223 -0.377 0.000 2.141 30 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 30 L C 3.033 179.711 176.870 -0.320 0.000 1.094 30 L CA 0.793 55.355 54.840 -0.463 0.000 0.763 30 L CB -0.511 41.200 42.059 -0.580 0.000 0.908 30 L HN 0.453 nan 8.230 nan 0.000 0.437 31 A N -0.261 122.417 122.820 -0.237 0.000 1.933 31 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 31 A C 2.329 179.831 177.584 -0.137 0.000 1.175 31 A CA 1.351 53.279 52.037 -0.182 0.000 0.628 31 A CB -0.305 18.596 19.000 -0.165 0.000 0.814 31 A HN 0.251 nan 8.150 nan 0.000 0.444 32 M N -0.459 119.071 119.600 -0.118 0.000 2.159 32 M HA -0.099 4.381 4.480 -0.000 0.000 0.263 32 M C 2.213 178.438 176.300 -0.124 0.000 1.063 32 M CA 1.210 56.459 55.300 -0.084 0.000 1.110 32 M CB -1.209 31.362 32.600 -0.048 0.000 1.374 32 M HN 0.264 nan 8.290 nan 0.000 0.411 33 V N 0.686 120.464 119.914 -0.227 0.000 2.261 33 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 33 V C 2.503 178.475 176.094 -0.203 0.000 1.047 33 V CA 1.560 63.681 62.300 -0.298 0.000 1.015 33 V CB -0.739 30.687 31.823 -0.663 0.000 0.642 33 V HN 0.398 nan 8.190 nan 0.000 0.446 34 L N 0.944 122.045 121.223 -0.203 0.000 2.191 34 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 34 L C 2.661 179.486 176.870 -0.074 0.000 1.103 34 L CA 1.572 56.331 54.840 -0.135 0.000 0.769 34 L CB -0.638 41.334 42.059 -0.144 0.000 0.908 34 L HN 0.570 nan 8.230 nan 0.000 0.438 35 S N -0.373 115.286 115.700 -0.069 0.000 2.442 35 S HA -0.191 4.279 4.470 -0.000 0.000 0.236 35 S C 1.801 176.403 174.600 0.003 0.000 1.007 35 S CA 0.872 59.054 58.200 -0.029 0.000 0.965 35 S CB -0.249 62.936 63.200 -0.026 0.000 0.773 35 S HN 0.434 nan 8.310 nan 0.000 0.504 36 K N 0.493 120.897 120.400 0.006 0.000 2.366 36 K HA 0.166 4.486 4.320 -0.000 0.000 0.198 36 K C 1.460 178.144 176.600 0.139 0.000 1.044 36 K CA 0.574 56.896 56.287 0.057 0.000 0.973 36 K CB 0.111 32.639 32.500 0.046 0.000 0.767 36 K HN 0.200 nan 8.250 nan 0.000 0.475 37 K N -0.528 119.931 120.400 0.098 0.000 2.380 37 K HA 0.172 4.492 4.320 -0.000 0.000 0.198 37 K C 0.096 176.810 176.600 0.189 0.000 1.070 37 K CA 0.155 56.532 56.287 0.149 0.000 1.040 37 K CB 0.728 33.193 32.500 -0.059 0.000 0.903 37 K HN 0.013 nan 8.250 nan 0.000 0.549 38 C N 0.470 119.829 119.300 0.098 0.000 2.634 38 C HA 0.426 4.886 4.460 -0.000 0.000 0.313 38 C C 1.870 176.885 174.990 0.042 0.000 1.198 38 C CA -1.007 58.050 59.018 0.064 0.000 1.605 38 C CB 2.445 30.193 27.740 0.013 0.000 2.196 38 C HN 0.389 nan 8.230 nan 0.000 0.486 39 R N 0.705 121.225 120.500 0.032 0.000 2.096 39 R HA -0.033 4.307 4.340 -0.000 0.000 0.235 39 R C 0.565 176.866 176.300 0.001 0.000 1.127 39 R CA 1.467 57.575 56.100 0.012 0.000 0.968 39 R CB 0.201 30.506 30.300 0.009 0.000 0.861 39 R HN 0.830 nan 8.270 nan 0.000 0.440 40 E N -0.407 119.790 120.200 -0.004 0.000 2.292 40 E HA 0.312 4.662 4.350 -0.000 0.000 0.272 40 E C -1.812 174.766 176.600 -0.037 0.000 0.881 40 E CA -0.753 55.635 56.400 -0.019 0.000 0.754 40 E CB 2.265 31.954 29.700 -0.018 0.000 1.201 40 E HN -0.093 nan 8.360 nan 0.000 0.425 41 V N 3.298 123.179 119.914 -0.055 0.000 2.577 41 V HA 0.393 4.513 4.120 -0.000 0.000 0.303 41 V C -0.540 175.480 176.094 -0.124 0.000 1.042 41 V CA -0.844 61.399 62.300 -0.095 0.000 0.872 41 V CB 1.537 33.299 31.823 -0.103 0.000 0.998 41 V HN 0.811 nan 8.190 nan 0.000 0.423 42 C N 4.469 123.665 119.300 -0.174 0.000 2.382 42 C HA 0.756 5.216 4.460 -0.000 0.000 0.327 42 C C 0.172 174.952 174.990 -0.350 0.000 1.250 42 C CA -0.635 58.252 59.018 -0.218 0.000 1.707 42 C CB 1.337 28.965 27.740 -0.185 0.000 2.272 42 C HN 0.663 nan 8.230 nan 0.000 0.506 43 V N 2.833 122.458 119.914 -0.482 0.000 2.384 43 V HA 0.314 4.434 4.120 -0.000 0.000 0.287 43 V C -0.504 175.297 176.094 -0.489 0.000 1.020 43 V CA -0.500 61.396 62.300 -0.673 0.000 0.850 43 V CB 1.209 32.249 31.823 -1.305 0.000 0.987 43 V HN 0.937 nan 8.190 nan 0.000 0.436 44 W N 5.723 126.738 121.300 -0.475 0.000 2.316 44 W HA 0.605 5.266 4.660 0.001 0.000 0.311 44 W C -0.350 176.180 176.519 0.018 0.000 1.217 44 W CA 0.037 57.268 57.345 -0.189 0.000 1.199 44 W CB 0.649 30.044 29.460 -0.108 0.000 1.202 44 W HN 0.725 nan 8.180 nan 0.000 0.528 45 H N 6.131 124.629 119.070 -0.952 0.000 2.717 45 H HA 0.200 4.756 4.556 0.000 0.000 0.366 45 H C 1.108 175.666 175.328 -1.283 0.000 1.132 45 H CA -0.635 54.889 56.048 -0.873 0.000 1.180 45 H CB 1.864 31.514 29.762 -0.186 0.000 1.678 45 H HN 0.601 nan 8.280 nan 0.000 0.537 46 M N 1.796 120.416 119.600 -1.634 0.000 2.476 46 M HA 0.067 4.547 4.480 -0.000 0.000 0.262 46 M C -0.267 175.708 176.300 -0.542 0.000 1.079 46 M CA 1.113 55.837 55.300 -0.959 0.000 1.104 46 M CB 0.279 32.600 32.600 -0.465 0.000 1.409 46 M HN 0.284 nan 8.290 nan 0.000 0.467 47 N N 1.514 119.823 118.700 -0.652 0.000 2.407 47 N HA 0.080 4.820 4.740 -0.000 0.000 0.277 47 N C -0.100 175.392 175.510 -0.030 0.000 0.995 47 N CA 0.086 53.003 53.050 -0.222 0.000 0.903 47 N CB 1.847 40.260 38.487 -0.124 0.000 1.218 47 N HN 0.139 nan 8.380 nan 0.000 0.487 48 E N 3.085 123.275 120.200 -0.017 0.000 2.107 48 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 48 E C 1.314 177.929 176.600 0.024 0.000 0.982 48 E CA 1.456 57.865 56.400 0.016 0.000 0.809 48 E CB 0.041 29.749 29.700 0.013 0.000 0.756 48 E HN 0.784 nan 8.360 nan 0.000 0.459 49 E N 0.214 120.423 120.200 0.015 0.000 2.085 49 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 49 E C 1.816 178.417 176.600 0.002 0.000 0.994 49 E CA 1.580 57.982 56.400 0.004 0.000 0.801 49 E CB -0.048 29.651 29.700 -0.002 0.000 0.743 49 E HN 0.395 nan 8.360 nan 0.000 0.453 50 E N -0.348 119.874 120.200 0.036 0.000 2.107 50 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 50 E C 2.174 178.754 176.600 -0.033 0.000 0.982 50 E CA 0.923 57.329 56.400 0.011 0.000 0.809 50 E CB 0.168 29.934 29.700 0.110 0.000 0.756 50 E HN 0.129 nan 8.360 nan 0.000 0.459 51 V N 1.349 121.304 119.914 0.069 0.000 2.287 51 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 51 V C 2.251 178.331 176.094 -0.023 0.000 1.053 51 V CA 1.871 64.202 62.300 0.051 0.000 1.027 51 V CB -0.409 31.482 31.823 0.113 0.000 0.646 51 V HN 0.214 nan 8.190 nan 0.000 0.447 52 R N -0.829 119.661 120.500 -0.017 0.000 2.081 52 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 52 R C 2.217 178.478 176.300 -0.066 0.000 1.131 52 R CA 1.475 57.556 56.100 -0.031 0.000 0.960 52 R CB -0.548 29.740 30.300 -0.019 0.000 0.856 52 R HN 0.374 nan 8.270 nan 0.000 0.436 53 L N 0.731 121.903 121.223 -0.085 0.000 1.994 53 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 53 L C 2.101 178.871 176.870 -0.166 0.000 1.071 53 L CA 1.642 56.414 54.840 -0.113 0.000 0.745 53 L CB -0.439 41.550 42.059 -0.117 0.000 0.892 53 L HN -0.091 nan 8.230 nan 0.000 0.431 54 V N 0.273 120.038 119.914 -0.250 0.000 2.343 54 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 54 V C 2.420 178.334 176.094 -0.301 0.000 1.051 54 V CA 1.905 63.970 62.300 -0.392 0.000 1.036 54 V CB -0.895 30.461 31.823 -0.779 0.000 0.654 54 V HN 0.518 nan 8.190 nan 0.000 0.451 55 N N -0.098 118.483 118.700 -0.198 0.000 2.142 55 N HA -0.179 4.561 4.740 -0.000 0.000 0.186 55 N C 1.924 177.388 175.510 -0.078 0.000 1.023 55 N CA 1.562 54.554 53.050 -0.096 0.000 0.852 55 N CB -0.240 38.232 38.487 -0.026 0.000 0.998 55 N HN 0.655 nan 8.380 nan 0.000 0.424 56 E N 0.753 120.905 120.200 -0.080 0.000 2.072 56 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 56 E C 1.065 177.623 176.600 -0.070 0.000 0.985 56 E CA 0.933 57.295 56.400 -0.064 0.000 0.801 56 E CB 0.224 29.889 29.700 -0.059 0.000 0.750 56 E HN 0.069 nan 8.360 nan 0.000 0.452 57 K N 0.347 120.690 120.400 -0.095 0.000 2.432 57 K HA 0.007 4.327 4.320 -0.000 0.000 0.196 57 K C 0.282 176.831 176.600 -0.087 0.000 1.038 57 K CA 0.160 56.393 56.287 -0.091 0.000 0.986 57 K CB 0.128 32.561 32.500 -0.113 0.000 0.782 57 K HN 0.119 nan 8.250 nan 0.000 0.485 58 R N 1.143 121.587 120.500 -0.094 0.000 3.405 58 R HA -0.198 4.142 4.340 -0.000 0.000 0.258 58 R C -0.282 175.967 176.300 -0.086 0.000 1.030 58 R CA 0.751 56.806 56.100 -0.076 0.000 0.691 58 R CB -2.161 28.114 30.300 -0.043 0.000 1.093 58 R HN 0.516 nan 8.270 nan 0.000 0.448 59 E N 0.023 120.140 120.200 -0.139 0.000 2.388 59 E HA 0.120 4.470 4.350 -0.000 0.000 0.289 59 E C -1.166 175.300 176.600 -0.223 0.000 0.944 59 E CA -0.461 55.859 56.400 -0.134 0.000 0.792 59 E CB 1.174 30.815 29.700 -0.098 0.000 1.239 59 E HN 0.262 nan 8.360 nan 0.000 0.412 60 N N 4.123 122.697 118.700 -0.209 0.000 2.671 60 N HA 0.033 4.773 4.740 -0.000 0.000 0.274 60 N C 1.239 176.643 175.510 -0.176 0.000 1.188 60 N CA 0.018 52.917 53.050 -0.252 0.000 1.065 60 N CB 0.444 38.871 38.487 -0.100 0.000 1.415 60 N HN 0.373 nan 8.380 nan 0.000 0.511 61 V N 1.390 121.176 119.914 -0.213 0.000 3.141 61 V HA -0.135 3.985 4.120 -0.000 0.000 0.265 61 V C 1.559 177.508 176.094 -0.242 0.000 1.126 61 V CA 1.024 63.215 62.300 -0.183 0.000 1.141 61 V CB -0.652 31.073 31.823 -0.164 0.000 0.743 61 V HN 0.509 nan 8.190 nan 0.000 0.492 62 L N -1.339 119.677 121.223 -0.345 0.000 2.068 62 L HA 0.218 4.558 4.340 -0.000 0.000 0.204 62 L C 2.150 178.554 176.870 -0.776 0.000 1.076 62 L CA 1.721 56.178 54.840 -0.639 0.000 0.753 62 L CB -0.437 41.116 42.059 -0.842 0.000 0.910 62 L HN 0.301 nan 8.230 nan 0.000 0.439 63 F N -2.009 117.913 119.950 -0.047 0.000 2.831 63 F HA 0.306 4.833 4.527 0.000 0.000 0.334 63 F C 0.340 176.153 175.800 0.021 0.000 1.071 63 F CA -0.248 57.756 58.000 0.007 0.000 1.172 63 F CB 1.094 40.118 39.000 0.039 0.000 1.054 63 F HN -0.166 nan 8.300 nan 0.000 0.572 64 L N 1.652 122.949 121.223 0.123 0.000 2.574 64 L HA 0.367 4.707 4.340 -0.000 0.000 0.258 64 L C -0.435 176.449 176.870 0.023 0.000 1.520 64 L CA -0.282 54.612 54.840 0.090 0.000 0.775 64 L CB 0.029 42.158 42.059 0.116 0.000 1.028 64 L HN -0.158 nan 8.230 nan 0.000 0.516 65 K N 0.751 121.149 120.400 -0.003 0.000 2.448 65 K HA 0.525 4.845 4.320 -0.000 0.000 0.278 65 K C 1.158 177.750 176.600 -0.014 0.000 1.009 65 K CA 0.769 57.039 56.287 -0.029 0.000 0.995 65 K CB 0.451 32.928 32.500 -0.040 0.000 0.917 65 K HN 0.585 nan 8.250 nan 0.000 0.481 66 G N 0.772 109.559 108.800 -0.021 0.000 2.194 66 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.236 66 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.236 66 G C -0.191 174.707 174.900 -0.004 0.000 0.987 66 G CA -0.240 44.852 45.100 -0.012 0.000 0.635 66 G HN 0.415 nan 8.290 nan 0.000 0.520 67 V N 1.785 121.698 119.914 -0.001 0.000 2.357 67 V HA 0.513 4.633 4.120 -0.000 0.000 0.284 67 V C 0.512 176.605 176.094 -0.003 0.000 1.018 67 V CA -0.515 61.789 62.300 0.008 0.000 0.841 67 V CB 1.626 33.465 31.823 0.026 0.000 0.991 67 V HN 0.456 nan 8.190 nan 0.000 0.437 68 Q N 4.307 124.105 119.800 -0.003 0.000 2.296 68 Q HA 0.400 4.739 4.340 -0.000 0.000 0.262 68 Q C -0.683 175.317 176.000 0.001 0.000 0.981 68 Q CA -0.368 55.430 55.803 -0.010 0.000 0.905 68 Q CB 0.778 29.511 28.738 -0.008 0.000 1.186 68 Q HN 0.669 nan 8.270 nan 0.000 0.399 69 L N 3.245 124.467 121.223 -0.002 0.000 2.426 69 L HA 0.248 4.588 4.340 -0.000 0.000 0.271 69 L C 0.513 177.393 176.870 0.016 0.000 1.169 69 L CA -0.487 54.365 54.840 0.020 0.000 0.836 69 L CB 0.582 42.662 42.059 0.035 0.000 1.112 69 L HN 0.750 nan 8.230 nan 0.000 0.465 70 A N 2.093 124.924 122.820 0.019 0.000 2.507 70 A HA 0.108 4.428 4.320 -0.000 0.000 0.235 70 A C 1.312 178.904 177.584 0.014 0.000 1.070 70 A CA 0.355 52.400 52.037 0.012 0.000 0.768 70 A CB 0.261 19.265 19.000 0.007 0.000 1.011 70 A HN 0.931 nan 8.150 nan 0.000 0.502 71 S N 0.981 116.686 115.700 0.008 0.000 2.447 71 S HA -0.152 4.318 4.470 -0.000 0.000 0.233 71 S C 1.076 175.681 174.600 0.008 0.000 1.006 71 S CA 1.043 59.248 58.200 0.007 0.000 0.957 71 S CB -0.431 62.770 63.200 0.002 0.000 0.773 71 S HN 0.919 nan 8.310 nan 0.000 0.507 72 N N 1.370 120.073 118.700 0.005 0.000 2.370 72 N HA 0.149 4.888 4.740 -0.000 0.000 0.198 72 N C -0.127 175.381 175.510 -0.003 0.000 1.156 72 N CA -0.157 52.893 53.050 0.000 0.000 0.839 72 N CB -0.433 38.051 38.487 -0.003 0.000 0.989 72 N HN 0.482 nan 8.380 nan 0.000 0.468 73 I N 0.899 121.477 120.570 0.014 0.000 2.321 73 I HA 0.198 4.368 4.170 -0.000 0.000 0.291 73 I C -0.345 175.817 176.117 0.076 0.000 0.998 73 I CA -0.304 61.011 61.300 0.025 0.000 1.227 73 I CB 1.548 39.581 38.000 0.055 0.000 1.368 73 I HN -0.149 nan 8.210 nan 0.000 0.466 74 T N 5.947 120.531 114.554 0.050 0.000 2.824 74 T HA 0.503 4.853 4.350 -0.000 0.000 0.282 74 T C -0.470 174.295 174.700 0.108 0.000 0.993 74 T CA -0.412 61.749 62.100 0.103 0.000 0.967 74 T CB 0.947 69.837 68.868 0.036 0.000 0.960 74 T HN 0.034 nan 8.240 nan 0.000 0.441 75 F N 1.876 121.797 119.950 -0.048 0.000 2.375 75 F HA 0.657 5.184 4.527 0.000 0.000 0.333 75 F C 1.099 176.880 175.800 -0.032 0.000 1.104 75 F CA -0.292 57.679 58.000 -0.048 0.000 1.149 75 F CB 1.668 40.631 39.000 -0.061 0.000 1.190 75 F HN 0.418 nan 8.300 nan 0.000 0.533 76 T N -0.409 114.196 114.554 0.086 0.000 2.894 76 T HA 0.379 4.729 4.350 -0.000 0.000 0.309 76 T C 0.087 174.809 174.700 0.036 0.000 1.208 76 T CA -0.201 61.945 62.100 0.077 0.000 1.016 76 T CB 1.214 70.123 68.868 0.068 0.000 1.192 76 T HN 0.592 nan 8.240 nan 0.000 0.491 77 S N 1.402 117.136 115.700 0.056 0.000 2.539 77 S HA 0.244 4.714 4.470 -0.000 0.000 0.221 77 S C 0.135 174.957 174.600 0.370 0.000 0.987 77 S CA -0.313 57.901 58.200 0.023 0.000 0.929 77 S CB 0.114 63.304 63.200 -0.017 0.000 0.832 77 S HN 0.673 nan 8.310 nan 0.000 0.492 78 D N 1.694 122.285 120.400 0.318 0.000 2.359 78 D HA 0.285 4.925 4.640 -0.000 0.000 0.230 78 D C 1.228 177.699 176.300 0.284 0.000 1.118 78 D CA -0.275 53.876 54.000 0.252 0.000 0.844 78 D CB 1.757 42.617 40.800 0.101 0.000 1.059 78 D HN -0.024 nan 8.370 nan 0.000 0.493 79 V N 4.441 124.497 119.914 0.237 0.000 2.287 79 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 79 V C 2.007 178.102 176.094 0.000 0.000 1.053 79 V CA 1.734 64.108 62.300 0.123 0.000 1.027 79 V CB -0.312 31.474 31.823 -0.061 0.000 0.646 79 V HN 0.513 nan 8.190 nan 0.000 0.447 80 E N -0.047 120.049 120.200 -0.173 0.000 2.106 80 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 80 E C 2.231 178.419 176.600 -0.686 0.000 0.984 80 E CA 0.990 57.018 56.400 -0.621 0.000 0.806 80 E CB -0.240 29.294 29.700 -0.275 0.000 0.750 80 E HN 0.534 nan 8.360 nan 0.000 0.458 81 K N 0.172 120.389 120.400 -0.304 0.000 2.097 81 K HA -0.012 4.308 4.320 -0.000 0.000 0.205 81 K C 2.117 178.581 176.600 -0.226 0.000 1.050 81 K CA 0.975 57.128 56.287 -0.224 0.000 0.938 81 K CB -0.132 32.312 32.500 -0.093 0.000 0.718 81 K HN 0.104 nan 8.250 nan 0.000 0.442 82 A N 1.358 124.084 122.820 -0.158 0.000 1.865 82 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 82 A C 2.111 179.592 177.584 -0.172 0.000 1.191 82 A CA 1.852 53.805 52.037 -0.140 0.000 0.623 82 A CB -0.846 18.103 19.000 -0.085 0.000 0.826 82 A HN 0.554 nan 8.150 nan 0.000 0.444 83 Y N -0.587 119.660 120.300 -0.088 0.000 2.523 83 Y HA 0.261 4.811 4.550 -0.000 0.000 0.279 83 Y C 0.572 176.262 175.900 -0.350 0.000 1.139 83 Y CA -0.686 57.324 58.100 -0.151 0.000 1.296 83 Y CB -1.400 37.045 38.460 -0.025 0.000 1.045 83 Y HN 0.267 nan 8.280 nan 0.000 0.538 84 N N 1.727 120.149 118.700 -0.463 0.000 2.414 84 N HA 0.234 4.974 4.740 -0.000 0.000 0.268 84 N C 1.291 176.727 175.510 -0.123 0.000 1.286 84 N CA 1.765 54.603 53.050 -0.354 0.000 0.896 84 N CB 0.056 38.360 38.487 -0.305 0.000 1.093 84 N HN 0.716 nan 8.380 nan 0.000 0.480 85 G N 1.748 110.551 108.800 0.006 0.000 2.184 85 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.264 85 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.264 85 G C 0.273 175.277 174.900 0.173 0.000 0.975 85 G CA 0.243 45.425 45.100 0.138 0.000 0.642 85 G HN 0.965 nan 8.290 nan 0.000 0.536 86 A N -0.115 122.814 122.820 0.183 0.000 2.477 86 A HA 0.632 4.952 4.320 -0.000 0.000 0.246 86 A C 0.910 178.636 177.584 0.237 0.000 1.078 86 A CA 1.013 53.153 52.037 0.170 0.000 0.770 86 A CB 0.261 19.343 19.000 0.137 0.000 1.011 86 A HN 0.504 nan 8.150 nan 0.000 0.494 87 E N 0.976 121.254 120.200 0.131 0.000 2.498 87 E HA 0.324 4.674 4.350 -0.000 0.000 0.203 87 E C -0.244 176.397 176.600 0.069 0.000 1.013 87 E CA 0.165 56.623 56.400 0.097 0.000 0.927 87 E CB 0.586 30.325 29.700 0.066 0.000 1.012 87 E HN 0.666 nan 8.360 nan 0.000 0.482 88 I N 0.791 121.399 120.570 0.064 0.000 2.752 88 I HA 0.359 4.529 4.170 -0.000 0.000 0.295 88 I C -1.773 174.365 176.117 0.035 0.000 1.219 88 I CA -0.993 60.333 61.300 0.043 0.000 1.030 88 I CB 1.936 39.943 38.000 0.010 0.000 1.259 88 I HN -0.155 nan 8.210 nan 0.000 0.423 89 I N 7.165 127.757 120.570 0.037 0.000 2.436 89 I HA 0.374 4.544 4.170 -0.000 0.000 0.289 89 I C -1.235 174.831 176.117 -0.085 0.000 1.010 89 I CA -0.629 60.660 61.300 -0.018 0.000 1.098 89 I CB 1.804 39.837 38.000 0.055 0.000 1.266 89 I HN 0.296 nan 8.210 nan 0.000 0.434 90 L N 6.537 127.650 121.223 -0.183 0.000 2.317 90 L HA 0.501 4.841 4.340 -0.000 0.000 0.281 90 L C -0.902 175.801 176.870 -0.278 0.000 1.024 90 L CA 0.008 54.761 54.840 -0.143 0.000 0.810 90 L CB 1.050 43.029 42.059 -0.133 0.000 1.240 90 L HN 0.302 nan 8.230 nan 0.000 0.427 91 F N 3.140 123.159 119.950 0.116 0.000 2.411 91 F HA 0.477 5.004 4.527 -0.000 0.000 0.352 91 F C 0.463 176.321 175.800 0.096 0.000 1.123 91 F CA -0.471 57.593 58.000 0.106 0.000 1.044 91 F CB 1.357 40.433 39.000 0.127 0.000 1.135 91 F HN 0.087 nan 8.300 nan 0.000 0.461 92 V N 4.548 124.601 119.914 0.233 0.000 3.070 92 V HA 0.231 4.351 4.120 -0.000 0.000 0.355 92 V C 0.124 176.333 176.094 0.193 0.000 1.400 92 V CA -0.354 62.065 62.300 0.198 0.000 1.170 92 V CB -0.522 31.365 31.823 0.108 0.000 1.169 92 V HN 0.560 nan 8.190 nan 0.000 0.554 93 I N 2.910 123.609 120.570 0.215 0.000 2.474 93 I HA 0.290 4.460 4.170 -0.000 0.000 0.287 93 I C -2.071 174.172 176.117 0.210 0.000 1.048 93 I CA -1.709 59.719 61.300 0.213 0.000 1.383 93 I CB 1.321 39.433 38.000 0.186 0.000 1.412 93 I HN 0.086 nan 8.210 nan 0.000 0.531 94 P HA 0.014 nan 4.420 nan 0.000 0.268 94 P C 0.660 177.964 177.300 0.008 0.000 1.208 94 P CA 0.051 63.217 63.100 0.111 0.000 0.777 94 P CB 0.469 32.234 31.700 0.108 0.000 0.875 95 T N 0.650 115.180 114.554 -0.041 0.000 2.665 95 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 95 T C 1.465 176.107 174.700 -0.097 0.000 1.035 95 T CA 1.438 63.520 62.100 -0.029 0.000 1.151 95 T CB -0.419 68.436 68.868 -0.023 0.000 0.862 95 T HN 0.491 nan 8.240 nan 0.000 0.438 96 Q N -0.053 119.564 119.800 -0.304 0.000 2.472 96 Q HA 0.131 4.471 4.340 -0.000 0.000 0.208 96 Q C 1.350 177.214 176.000 -0.226 0.000 0.958 96 Q CA 0.740 56.348 55.803 -0.324 0.000 0.932 96 Q CB -0.294 28.191 28.738 -0.423 0.000 1.007 96 Q HN 0.672 nan 8.270 nan 0.000 0.508 97 F N -1.115 118.898 119.950 0.106 0.000 2.704 97 F HA 0.165 4.692 4.527 -0.000 0.000 0.304 97 F C 1.807 177.695 175.800 0.147 0.000 1.094 97 F CA -0.376 57.697 58.000 0.123 0.000 1.275 97 F CB 0.225 39.300 39.000 0.125 0.000 1.073 97 F HN -0.061 nan 8.300 nan 0.000 0.586 98 L N 0.570 121.949 121.223 0.260 0.000 2.012 98 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 98 L C 2.817 179.872 176.870 0.310 0.000 1.073 98 L CA 1.549 56.539 54.840 0.251 0.000 0.748 98 L CB -0.382 41.800 42.059 0.205 0.000 0.891 98 L HN 0.146 nan 8.230 nan 0.000 0.431 99 R N -0.133 120.522 120.500 0.257 0.000 2.083 99 R HA -0.177 4.163 4.340 -0.000 0.000 0.237 99 R C 2.170 178.579 176.300 0.180 0.000 1.137 99 R CA 1.757 58.005 56.100 0.247 0.000 0.951 99 R CB -0.620 29.803 30.300 0.204 0.000 0.851 99 R HN 0.414 nan 8.270 nan 0.000 0.434 100 G N -0.057 108.853 108.800 0.183 0.000 2.422 100 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.218 100 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.218 100 G C 1.265 176.195 174.900 0.051 0.000 1.146 100 G CA 0.644 45.821 45.100 0.127 0.000 0.769 100 G HN 0.439 nan 8.290 nan 0.000 0.547 101 F N 0.805 120.717 119.950 -0.064 0.000 2.102 101 F HA 0.025 4.552 4.527 0.000 0.000 0.298 101 F C 2.268 177.787 175.800 -0.468 0.000 1.105 101 F CA 1.361 59.202 58.000 -0.265 0.000 1.239 101 F CB -0.230 38.553 39.000 -0.361 0.000 0.991 101 F HN 0.128 nan 8.300 nan 0.000 0.474 102 F N 0.995 120.710 119.950 -0.392 0.000 2.146 102 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 102 F C 2.431 177.840 175.800 -0.651 0.000 1.096 102 F CA 1.795 59.330 58.000 -0.775 0.000 1.275 102 F CB -0.690 37.453 39.000 -1.428 0.000 1.008 102 F HN -0.002 nan 8.300 nan 0.000 0.480 103 E N -0.001 120.057 120.200 -0.236 0.000 2.110 103 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 103 E C 2.038 178.556 176.600 -0.137 0.000 0.988 103 E CA 1.265 57.608 56.400 -0.094 0.000 0.804 103 E CB -0.128 29.586 29.700 0.023 0.000 0.745 103 E HN 0.329 nan 8.360 nan 0.000 0.458 104 K N -0.247 120.031 120.400 -0.204 0.000 2.242 104 K HA 0.062 4.382 4.320 -0.000 0.000 0.200 104 K C 1.126 177.560 176.600 -0.278 0.000 1.050 104 K CA 0.994 57.172 56.287 -0.181 0.000 0.981 104 K CB 0.497 32.927 32.500 -0.117 0.000 0.795 104 K HN -0.080 nan 8.250 nan 0.000 0.477 105 S N -1.131 114.247 115.700 -0.537 0.000 2.787 105 S HA 0.173 4.643 4.470 -0.000 0.000 0.255 105 S C 0.835 174.943 174.600 -0.820 0.000 1.051 105 S CA -0.146 57.661 58.200 -0.655 0.000 1.124 105 S CB 1.643 64.368 63.200 -0.793 0.000 1.104 105 S HN 0.402 nan 8.310 nan 0.000 0.623 106 G N 1.168 109.499 108.800 -0.783 0.000 3.088 106 G HA2 0.340 4.300 3.960 -0.000 0.000 0.217 106 G HA3 0.340 4.300 3.960 -0.000 0.000 0.217 106 G C 1.195 175.950 174.900 -0.242 0.000 1.159 106 G CA 0.383 45.102 45.100 -0.634 0.000 0.760 106 G HN 0.463 nan 8.290 nan 0.000 0.550 107 G N 1.741 110.438 108.800 -0.171 0.000 2.491 107 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 107 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 107 G C 1.664 176.554 174.900 -0.018 0.000 1.180 107 G CA 1.082 46.148 45.100 -0.057 0.000 0.774 107 G HN 0.406 nan 8.290 nan 0.000 0.562 108 N N 0.248 118.949 118.700 0.001 0.000 2.250 108 N HA -0.040 4.700 4.740 -0.000 0.000 0.181 108 N C 2.105 177.590 175.510 -0.041 0.000 1.017 108 N CA 0.859 53.953 53.050 0.074 0.000 0.866 108 N CB -0.354 38.244 38.487 0.184 0.000 0.985 108 N HN 0.295 nan 8.380 nan 0.000 0.429 109 L N 1.649 122.775 121.223 -0.161 0.000 2.012 109 L HA -0.057 4.283 4.340 -0.000 0.000 0.210 109 L C 1.962 178.717 176.870 -0.191 0.000 1.073 109 L CA 1.347 55.879 54.840 -0.513 0.000 0.748 109 L CB -0.629 41.263 42.059 -0.278 0.000 0.891 109 L HN 0.034 nan 8.230 nan 0.000 0.431 110 I N -0.249 120.303 120.570 -0.031 0.000 2.179 110 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 110 I C 2.622 178.754 176.117 0.026 0.000 1.088 110 I CA 1.350 62.685 61.300 0.058 0.000 1.357 110 I CB -0.660 37.402 38.000 0.103 0.000 1.051 110 I HN 0.396 nan 8.210 nan 0.000 0.409 111 A N -0.068 122.763 122.820 0.018 0.000 1.933 111 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 111 A C 2.294 179.895 177.584 0.030 0.000 1.175 111 A CA 1.658 53.713 52.037 0.029 0.000 0.628 111 A CB -1.030 17.999 19.000 0.049 0.000 0.814 111 A HN 0.549 nan 8.150 nan 0.000 0.444 112 Y N 0.611 120.836 120.300 -0.126 0.000 2.114 112 Y HA -0.077 4.473 4.550 -0.000 0.000 0.284 112 Y C 2.641 178.489 175.900 -0.085 0.000 1.143 112 Y CA 1.422 59.448 58.100 -0.124 0.000 1.135 112 Y CB -0.625 37.636 38.460 -0.333 0.000 0.980 112 Y HN 0.294 nan 8.280 nan 0.000 0.499 113 A N 0.674 123.438 122.820 -0.094 0.000 1.908 113 A HA -0.204 4.115 4.320 -0.000 0.000 0.218 113 A C 2.236 179.749 177.584 -0.118 0.000 1.181 113 A CA 2.061 54.033 52.037 -0.108 0.000 0.627 113 A CB -0.591 18.445 19.000 0.061 0.000 0.818 113 A HN 0.548 nan 8.150 nan 0.000 0.445 114 K N -0.796 119.565 120.400 -0.066 0.000 2.025 114 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 114 K C 2.163 178.716 176.600 -0.079 0.000 1.049 114 K CA 1.308 57.565 56.287 -0.050 0.000 0.933 114 K CB -0.180 32.309 32.500 -0.019 0.000 0.714 114 K HN 0.584 nan 8.250 nan 0.000 0.438 115 E N 1.004 121.146 120.200 -0.097 0.000 2.072 115 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 115 E C 1.336 177.855 176.600 -0.134 0.000 0.985 115 E CA 1.051 57.398 56.400 -0.089 0.000 0.801 115 E CB 0.331 29.999 29.700 -0.055 0.000 0.750 115 E HN 0.073 nan 8.360 nan 0.000 0.452 116 K N 0.443 120.687 120.400 -0.259 0.000 2.404 116 K HA 0.042 4.362 4.320 -0.000 0.000 0.194 116 K C 0.020 176.507 176.600 -0.188 0.000 1.023 116 K CA 0.026 56.152 56.287 -0.268 0.000 1.094 116 K CB 0.585 32.782 32.500 -0.504 0.000 0.841 116 K HN 0.107 nan 8.250 nan 0.000 0.523 117 Q N 0.268 119.979 119.800 -0.148 0.000 2.452 117 Q HA -0.149 4.190 4.340 -0.000 0.000 0.318 117 Q C -0.564 175.394 176.000 -0.071 0.000 1.386 117 Q CA 0.481 56.234 55.803 -0.083 0.000 0.872 117 Q CB -2.445 26.262 28.738 -0.053 0.000 1.151 117 Q HN 0.032 nan 8.270 nan 0.000 0.417 118 V N 2.316 122.176 119.914 -0.091 0.000 2.488 118 V HA 0.222 4.342 4.120 -0.000 0.000 0.277 118 V C -1.322 174.787 176.094 0.025 0.000 1.046 118 V CA -1.075 61.205 62.300 -0.034 0.000 0.986 118 V CB 0.971 32.779 31.823 -0.025 0.000 0.989 118 V HN 0.177 nan 8.190 nan 0.000 0.475 119 P HA 0.135 nan 4.420 nan 0.000 0.268 119 P C -0.751 176.598 177.300 0.082 0.000 1.204 119 P CA 0.117 63.247 63.100 0.051 0.000 0.768 119 P CB 0.967 32.689 31.700 0.037 0.000 0.842 120 V N 4.703 124.684 119.914 0.111 0.000 2.448 120 V HA 0.297 4.417 4.120 -0.000 0.000 0.295 120 V C 0.046 176.236 176.094 0.160 0.000 1.025 120 V CA -0.689 61.715 62.300 0.173 0.000 0.859 120 V CB 1.670 33.656 31.823 0.273 0.000 0.988 120 V HN 0.382 nan 8.190 nan 0.000 0.431 121 L N 6.590 127.905 121.223 0.153 0.000 2.316 121 L HA 0.614 4.954 4.340 -0.000 0.000 0.280 121 L C -0.409 176.576 176.870 0.192 0.000 1.006 121 L CA -0.040 54.881 54.840 0.137 0.000 0.836 121 L CB 1.690 43.799 42.059 0.084 0.000 1.221 121 L HN 0.452 nan 8.230 nan 0.000 0.418 122 V N 5.458 125.493 119.914 0.202 0.000 2.408 122 V HA 0.153 4.273 4.120 -0.000 0.000 0.267 122 V C 0.611 176.827 176.094 0.203 0.000 1.047 122 V CA -0.211 62.228 62.300 0.232 0.000 0.937 122 V CB 0.752 32.689 31.823 0.190 0.000 0.999 122 V HN 1.031 nan 8.190 nan 0.000 0.472 123 C N 2.207 121.647 119.300 0.234 0.000 3.230 123 C HA 0.149 4.609 4.460 -0.000 0.000 0.300 123 C C 1.372 176.540 174.990 0.296 0.000 1.292 123 C CA -0.222 58.965 59.018 0.281 0.000 1.707 123 C CB -0.271 27.630 27.740 0.269 0.000 2.181 123 C HN 0.849 nan 8.230 nan 0.000 0.655 124 T N 2.725 117.424 114.554 0.243 0.000 2.930 124 T HA 0.182 4.532 4.350 -0.000 0.000 0.306 124 T C -0.149 174.644 174.700 0.155 0.000 1.045 124 T CA 0.774 62.994 62.100 0.199 0.000 1.134 124 T CB 0.310 69.291 68.868 0.188 0.000 0.961 124 T HN 0.428 nan 8.240 nan 0.000 0.545 125 K N 1.478 121.951 120.400 0.121 0.000 2.324 125 K HA 0.708 5.028 4.320 -0.000 0.000 0.253 125 K C 0.151 176.809 176.600 0.097 0.000 0.932 125 K CA -0.920 55.428 56.287 0.103 0.000 0.799 125 K CB 2.362 34.899 32.500 0.061 0.000 1.154 125 K HN 0.874 nan 8.250 nan 0.000 0.425 126 G N 1.638 110.515 108.800 0.128 0.000 2.362 126 G HA2 0.178 4.138 3.960 -0.000 0.000 0.288 126 G HA3 0.178 4.138 3.960 -0.000 0.000 0.288 126 G C -1.802 173.142 174.900 0.073 0.000 1.305 126 G CA -1.043 44.111 45.100 0.090 0.000 0.910 126 G HN 0.427 nan 8.290 nan 0.000 0.518 127 I N 0.531 121.075 120.570 -0.043 0.000 2.569 127 I HA 0.378 4.548 4.170 -0.000 0.000 0.290 127 I C 0.005 176.039 176.117 -0.138 0.000 1.088 127 I CA -0.672 60.507 61.300 -0.201 0.000 1.047 127 I CB 2.280 40.092 38.000 -0.313 0.000 1.237 127 I HN 0.694 nan 8.210 nan 0.000 0.421 128 E N 5.452 125.567 120.200 -0.141 0.000 2.338 128 E HA 0.190 4.540 4.350 -0.000 0.000 0.272 128 E C 0.749 177.295 176.600 -0.090 0.000 1.029 128 E CA -0.244 56.103 56.400 -0.088 0.000 0.872 128 E CB 1.024 30.689 29.700 -0.058 0.000 1.015 128 E HN 0.496 nan 8.360 nan 0.000 0.417 129 R N 1.545 122.011 120.500 -0.056 0.000 2.103 129 R HA -0.181 4.159 4.340 -0.000 0.000 0.234 129 R C 2.313 178.582 176.300 -0.051 0.000 1.132 129 R CA 2.374 58.447 56.100 -0.045 0.000 0.925 129 R CB -0.382 29.913 30.300 -0.008 0.000 0.842 129 R HN 0.600 nan 8.270 nan 0.000 0.430 130 S N -0.012 115.668 115.700 -0.033 0.000 2.371 130 S HA -0.110 4.360 4.470 -0.000 0.000 0.224 130 S C 2.147 176.715 174.600 -0.053 0.000 1.029 130 S CA 1.509 59.689 58.200 -0.033 0.000 0.978 130 S CB -0.532 62.660 63.200 -0.013 0.000 0.833 130 S HN 0.536 nan 8.310 nan 0.000 0.466 131 T N 0.299 114.817 114.554 -0.060 0.000 3.067 131 T HA 0.292 4.642 4.350 -0.000 0.000 0.257 131 T C 0.927 175.562 174.700 -0.108 0.000 1.105 131 T CA 0.391 62.448 62.100 -0.071 0.000 1.104 131 T CB -0.894 67.939 68.868 -0.059 0.000 0.925 131 T HN 0.438 nan 8.240 nan 0.000 0.498 132 L N -0.730 120.409 121.223 -0.141 0.000 4.001 132 L HA -0.182 4.158 4.340 -0.000 0.000 0.413 132 L C 0.027 176.704 176.870 -0.321 0.000 1.185 132 L CA 0.482 55.191 54.840 -0.218 0.000 0.963 132 L CB -2.101 39.847 42.059 -0.184 0.000 1.976 132 L HN 0.355 nan 8.230 nan 0.000 0.939 133 K N 0.158 120.406 120.400 -0.255 0.000 2.143 133 K HA 0.597 4.917 4.320 -0.000 0.000 0.272 133 K C 0.092 176.511 176.600 -0.302 0.000 1.001 133 K CA -0.700 55.446 56.287 -0.236 0.000 0.915 133 K CB 0.957 33.401 32.500 -0.093 0.000 1.047 133 K HN -0.125 nan 8.250 nan 0.000 0.458 134 F N 2.359 122.300 119.950 -0.015 0.000 2.406 134 F HA 0.124 4.651 4.527 -0.000 0.000 0.327 134 F C -1.180 174.622 175.800 0.004 0.000 1.153 134 F CA -1.827 56.170 58.000 -0.005 0.000 1.218 134 F CB 0.293 39.289 39.000 -0.007 0.000 1.215 134 F HN 0.467 nan 8.300 nan 0.000 0.570 135 P HA -0.224 nan 4.420 nan 0.000 0.216 135 P C 1.121 178.485 177.300 0.106 0.000 1.150 135 P CA 2.188 65.370 63.100 0.136 0.000 0.843 135 P CB -0.020 31.769 31.700 0.148 0.000 0.787 136 A N -0.384 122.507 122.820 0.118 0.000 2.067 136 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 136 A C 2.041 179.647 177.584 0.037 0.000 1.158 136 A CA 1.375 53.454 52.037 0.070 0.000 0.661 136 A CB -0.964 18.075 19.000 0.064 0.000 0.801 136 A HN 0.202 nan 8.150 nan 0.000 0.452 137 E N -0.300 119.941 120.200 0.067 0.000 2.158 137 E HA -0.039 4.311 4.350 -0.000 0.000 0.191 137 E C 1.733 178.317 176.600 -0.028 0.000 0.982 137 E CA 0.755 57.169 56.400 0.024 0.000 0.823 137 E CB -0.191 29.549 29.700 0.066 0.000 0.766 137 E HN 0.695 nan 8.360 nan 0.000 0.468 138 I N 1.050 121.618 120.570 -0.002 0.000 2.142 138 I HA -0.283 3.887 4.170 -0.000 0.000 0.240 138 I C 2.336 178.425 176.117 -0.046 0.000 1.078 138 I CA 1.226 62.528 61.300 0.003 0.000 1.343 138 I CB -0.247 37.790 38.000 0.060 0.000 1.046 138 I HN 0.088 nan 8.210 nan 0.000 0.405 139 I N 0.845 121.345 120.570 -0.118 0.000 2.286 139 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 139 I C 2.540 178.522 176.117 -0.226 0.000 1.115 139 I CA 1.466 62.571 61.300 -0.326 0.000 1.392 139 I CB -0.750 37.090 38.000 -0.268 0.000 1.065 139 I HN 0.268 nan 8.210 nan 0.000 0.418 140 G N 0.111 108.827 108.800 -0.140 0.000 2.535 140 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.218 140 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.218 140 G C 1.437 176.211 174.900 -0.209 0.000 1.122 140 G CA 0.295 45.317 45.100 -0.129 0.000 0.769 140 G HN 0.434 nan 8.290 nan 0.000 0.549 141 E N -0.636 119.361 120.200 -0.339 0.000 2.204 141 E HA -0.030 4.320 4.350 -0.000 0.000 0.194 141 E C 1.491 177.628 176.600 -0.771 0.000 0.989 141 E CA 0.667 56.702 56.400 -0.607 0.000 0.824 141 E CB -0.081 29.085 29.700 -0.890 0.000 0.756 141 E HN 0.645 nan 8.360 nan 0.000 0.477 142 F N -0.361 119.402 119.950 -0.311 0.000 2.694 142 F HA 0.254 4.781 4.527 0.000 0.000 0.292 142 F C 0.782 176.459 175.800 -0.204 0.000 1.121 142 F CA 0.002 57.828 58.000 -0.289 0.000 1.352 142 F CB 0.651 39.357 39.000 -0.491 0.000 1.107 142 F HN -0.205 nan 8.300 nan 0.000 0.597 143 L N 1.816 123.009 121.223 -0.051 0.000 2.381 143 L HA 0.468 4.808 4.340 -0.000 0.000 0.268 143 L C -2.464 174.384 176.870 -0.036 0.000 0.997 143 L CA -2.200 52.630 54.840 -0.017 0.000 0.818 143 L CB 2.195 44.263 42.059 0.015 0.000 1.310 143 L HN -0.304 nan 8.230 nan 0.000 0.416 144 P HA 0.061 nan 4.420 nan 0.000 0.274 144 P C 0.486 177.778 177.300 -0.014 0.000 1.231 144 P CA -0.364 62.721 63.100 -0.026 0.000 0.790 144 P CB 1.280 32.968 31.700 -0.019 0.000 0.951 145 S N 1.919 117.608 115.700 -0.019 0.000 2.382 145 S HA -0.076 4.394 4.470 -0.000 0.000 0.228 145 S C -0.865 173.735 174.600 0.001 0.000 1.027 145 S CA 1.166 59.360 58.200 -0.010 0.000 0.991 145 S CB -2.339 60.852 63.200 -0.015 0.000 0.823 145 S HN 0.336 nan 8.310 nan 0.000 0.469 146 P HA 0.109 nan 4.420 nan 0.000 0.226 146 P C 1.027 178.334 177.300 0.012 0.000 1.153 146 P CA 0.681 63.783 63.100 0.004 0.000 0.777 146 P CB -0.162 31.537 31.700 -0.002 0.000 0.794 147 L N -2.039 119.195 121.223 0.019 0.000 2.567 147 L HA 0.120 4.460 4.340 -0.000 0.000 0.225 147 L C 0.789 177.694 176.870 0.057 0.000 1.119 147 L CA 0.058 54.919 54.840 0.035 0.000 0.871 147 L CB -0.235 41.849 42.059 0.040 0.000 1.036 147 L HN -0.053 nan 8.230 nan 0.000 0.459 148 L N -0.389 120.864 121.223 0.050 0.000 2.295 148 L HA 0.405 4.745 4.340 -0.000 0.000 0.285 148 L C -0.197 176.708 176.870 0.058 0.000 1.035 148 L CA -0.060 54.820 54.840 0.067 0.000 0.806 148 L CB 1.583 43.673 42.059 0.052 0.000 1.214 148 L HN -0.040 nan 8.230 nan 0.000 0.426 149 S N 1.640 117.385 115.700 0.075 0.000 2.632 149 S HA 0.727 5.197 4.470 -0.000 0.000 0.289 149 S C -0.721 173.928 174.600 0.081 0.000 1.115 149 S CA -0.615 57.623 58.200 0.064 0.000 0.889 149 S CB 2.731 65.967 63.200 0.059 0.000 1.116 149 S HN 0.243 nan 8.310 nan 0.000 0.486 150 V N 1.990 121.945 119.914 0.069 0.000 2.604 150 V HA 0.541 4.661 4.120 -0.000 0.000 0.305 150 V C -0.767 175.379 176.094 0.087 0.000 1.043 150 V CA -0.667 61.680 62.300 0.078 0.000 0.888 150 V CB 1.634 33.483 31.823 0.044 0.000 0.995 150 V HN 0.755 nan 8.190 nan 0.000 0.429 151 L N 4.390 125.685 121.223 0.121 0.000 2.307 151 L HA 0.943 5.283 4.340 -0.000 0.000 0.284 151 L C -0.098 176.856 176.870 0.141 0.000 1.023 151 L CA 0.032 54.959 54.840 0.146 0.000 0.810 151 L CB 1.385 43.565 42.059 0.201 0.000 1.231 151 L HN 0.844 nan 8.230 nan 0.000 0.423 152 A N 3.477 126.357 122.820 0.101 0.000 2.513 152 A HA 0.847 5.167 4.320 -0.000 0.000 0.296 152 A C -0.577 177.013 177.584 0.011 0.000 1.052 152 A CA 0.227 52.294 52.037 0.050 0.000 0.714 152 A CB 1.298 20.302 19.000 0.008 0.000 1.279 152 A HN 1.093 nan 8.150 nan 0.000 0.397 153 G N 1.068 109.853 108.800 -0.024 0.000 2.320 153 G HA2 0.621 4.581 3.960 -0.000 0.000 0.296 153 G HA3 0.621 4.581 3.960 -0.000 0.000 0.296 153 G C -3.523 171.303 174.900 -0.125 0.000 1.306 153 G CA -0.556 44.499 45.100 -0.075 0.000 0.836 153 G HN 0.555 nan 8.290 nan 0.000 0.517 154 P HA 0.287 nan 4.420 nan 0.000 0.273 154 P C -0.111 177.072 177.300 -0.195 0.000 1.428 154 P CA -0.001 62.961 63.100 -0.230 0.000 0.995 154 P CB 0.656 32.238 31.700 -0.197 0.000 1.286 155 S N 2.849 118.414 115.700 -0.225 0.000 2.512 155 S HA 0.321 4.791 4.470 -0.000 0.000 0.161 155 S C -0.167 174.433 174.600 0.000 0.000 1.383 155 S CA -0.718 57.470 58.200 -0.020 0.000 1.248 155 S CB -1.071 62.232 63.200 0.172 0.000 1.488 155 S HN 0.101 nan 8.310 nan 0.000 0.382 156 F N 1.834 121.790 119.950 0.009 0.000 2.623 156 F HA 0.164 4.692 4.527 0.001 0.000 0.383 156 F C 1.991 177.859 175.800 0.113 0.000 1.077 156 F CA 0.027 58.035 58.000 0.014 0.000 1.268 156 F CB 0.597 39.611 39.000 0.023 0.000 1.053 156 F HN 0.622 nan 8.300 nan 0.000 0.571 157 A N 4.131 127.170 122.820 0.364 0.000 1.883 157 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 157 A C 2.015 179.752 177.584 0.256 0.000 1.186 157 A CA 1.777 54.039 52.037 0.375 0.000 0.624 157 A CB -0.655 18.549 19.000 0.339 0.000 0.822 157 A HN 0.793 nan 8.150 nan 0.000 0.444 158 I N 0.074 120.755 120.570 0.185 0.000 2.226 158 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 158 I C 2.241 178.441 176.117 0.138 0.000 1.100 158 I CA 1.980 63.354 61.300 0.124 0.000 1.374 158 I CB -0.303 37.734 38.000 0.061 0.000 1.057 158 I HN 0.469 nan 8.210 nan 0.000 0.413 159 E N -0.552 119.755 120.200 0.179 0.000 2.072 159 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 159 E C 2.295 179.007 176.600 0.187 0.000 0.985 159 E CA 1.571 58.078 56.400 0.179 0.000 0.801 159 E CB -0.168 29.657 29.700 0.209 0.000 0.750 159 E HN 0.363 nan 8.360 nan 0.000 0.452 160 V N 1.497 121.550 119.914 0.233 0.000 2.287 160 V HA -0.289 3.830 4.120 -0.000 0.000 0.248 160 V C 2.340 178.502 176.094 0.112 0.000 1.053 160 V CA 1.958 64.393 62.300 0.226 0.000 1.027 160 V CB -0.699 31.314 31.823 0.317 0.000 0.646 160 V HN 0.320 nan 8.190 nan 0.000 0.447 161 A N 0.418 123.302 122.820 0.108 0.000 1.969 161 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 161 A C 2.254 179.869 177.584 0.052 0.000 1.169 161 A CA 2.150 54.221 52.037 0.058 0.000 0.635 161 A CB -0.673 18.372 19.000 0.075 0.000 0.810 161 A HN 0.644 nan 8.150 nan 0.000 0.445 162 T N -4.695 109.904 114.554 0.075 0.000 3.122 162 T HA 0.429 4.779 4.350 -0.000 0.000 0.250 162 T C 1.190 175.937 174.700 0.078 0.000 1.067 162 T CA 0.934 63.074 62.100 0.067 0.000 0.966 162 T CB 0.124 69.032 68.868 0.067 0.000 1.002 162 T HN 1.648 nan 8.240 nan 0.000 0.542 163 G N 1.074 109.930 108.800 0.093 0.000 2.147 163 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.244 163 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.244 163 G C -0.021 174.965 174.900 0.143 0.000 1.005 163 G CA -0.096 45.071 45.100 0.110 0.000 0.713 163 G HN 0.691 nan 8.290 nan 0.000 0.515 164 V N 0.871 120.876 119.914 0.153 0.000 2.614 164 V HA 0.459 4.579 4.120 -0.000 0.000 0.291 164 V C 1.093 177.319 176.094 0.221 0.000 1.049 164 V CA -0.605 61.803 62.300 0.181 0.000 1.038 164 V CB 0.933 32.852 31.823 0.160 0.000 0.980 164 V HN 0.418 nan 8.190 nan 0.000 0.481 165 F N 4.375 124.390 119.950 0.109 0.000 2.580 165 F HA 0.137 4.663 4.527 -0.001 0.000 0.398 165 F C 0.590 176.453 175.800 0.105 0.000 1.023 165 F CA 1.028 59.090 58.000 0.105 0.000 1.188 165 F CB 0.043 39.091 39.000 0.079 0.000 1.005 165 F HN 0.573 nan 8.300 nan 0.000 0.546 166 T N 5.920 120.121 114.554 -0.588 0.000 2.916 166 T HA 0.432 4.782 4.350 -0.000 0.000 0.298 166 T C -1.249 173.021 174.700 -0.717 0.000 1.031 166 T CA -0.593 61.253 62.100 -0.422 0.000 0.993 166 T CB 0.989 69.821 68.868 -0.060 0.000 1.045 166 T HN 0.623 nan 8.240 nan 0.000 0.454 167 C N 3.297 122.326 119.300 -0.452 0.000 2.417 167 C HA 0.921 5.381 4.460 -0.000 0.000 0.324 167 C C 0.218 175.077 174.990 -0.218 0.000 1.240 167 C CA -0.717 58.143 59.018 -0.264 0.000 1.632 167 C CB 0.288 28.028 27.740 -0.001 0.000 2.241 167 C HN 0.831 nan 8.230 nan 0.000 0.499 168 V N 0.939 120.745 119.914 -0.181 0.000 3.078 168 V HA 0.801 4.921 4.120 -0.000 0.000 0.311 168 V C -0.310 175.822 176.094 0.063 0.000 1.138 168 V CA -0.327 61.921 62.300 -0.087 0.000 1.007 168 V CB 1.805 33.572 31.823 -0.094 0.000 1.045 168 V HN 0.724 nan 8.190 nan 0.000 0.432 169 S N 1.985 117.714 115.700 0.048 0.000 2.578 169 S HA 0.754 5.224 4.470 -0.000 0.000 0.283 169 S C -0.367 174.282 174.600 0.081 0.000 1.195 169 S CA -0.457 57.795 58.200 0.086 0.000 1.050 169 S CB 0.868 64.088 63.200 0.034 0.000 1.012 169 S HN 0.645 nan 8.310 nan 0.000 0.511 170 I N 2.335 122.956 120.570 0.086 0.000 2.389 170 I HA 0.503 4.672 4.170 -0.000 0.000 0.288 170 I C -0.121 176.029 176.117 0.056 0.000 0.999 170 I CA -0.648 60.695 61.300 0.073 0.000 1.129 170 I CB 1.540 39.582 38.000 0.070 0.000 1.288 170 I HN 0.610 nan 8.210 nan 0.000 0.444 171 A N 4.678 127.524 122.820 0.043 0.000 2.304 171 A HA 0.824 5.144 4.320 -0.000 0.000 0.323 171 A C -0.489 177.110 177.584 0.026 0.000 1.195 171 A CA -0.393 51.660 52.037 0.026 0.000 0.826 171 A CB 1.559 20.562 19.000 0.006 0.000 1.184 171 A HN 0.588 nan 8.150 nan 0.000 0.496 172 S N 0.171 115.883 115.700 0.020 0.000 2.541 172 S HA 0.569 5.039 4.470 -0.000 0.000 0.271 172 S C 1.000 175.605 174.600 0.009 0.000 1.133 172 S CA 0.144 58.354 58.200 0.017 0.000 0.876 172 S CB 1.645 64.858 63.200 0.022 0.000 1.105 172 S HN 1.635 nan 8.310 nan 0.000 0.470 173 A N 1.830 124.653 122.820 0.005 0.000 1.940 173 A HA -0.024 4.296 4.320 -0.000 0.000 0.219 173 A C 0.769 178.355 177.584 0.003 0.000 1.176 173 A CA 1.645 53.683 52.037 0.001 0.000 0.631 173 A CB -0.439 18.560 19.000 -0.002 0.000 0.814 173 A HN 0.719 nan 8.150 nan 0.000 0.446 174 D N -0.837 119.566 120.400 0.006 0.000 2.359 174 D HA 0.298 4.938 4.640 -0.000 0.000 0.230 174 D C 0.732 177.038 176.300 0.009 0.000 1.118 174 D CA -0.569 53.435 54.000 0.006 0.000 0.844 174 D CB 0.762 41.566 40.800 0.005 0.000 1.059 174 D HN 0.068 nan 8.370 nan 0.000 0.493 175 I N 4.440 125.016 120.570 0.010 0.000 2.335 175 I HA -0.239 3.931 4.170 -0.000 0.000 0.251 175 I C 1.504 177.627 176.117 0.011 0.000 1.129 175 I CA 1.210 62.518 61.300 0.013 0.000 1.402 175 I CB -0.139 37.870 38.000 0.015 0.000 1.069 175 I HN 0.397 nan 8.210 nan 0.000 0.424 176 N N 0.011 118.715 118.700 0.008 0.000 2.244 176 N HA -0.116 4.624 4.740 -0.000 0.000 0.183 176 N C 1.973 177.486 175.510 0.005 0.000 1.016 176 N CA 1.568 54.621 53.050 0.005 0.000 0.866 176 N CB -0.381 38.108 38.487 0.003 0.000 0.980 176 N HN 0.302 nan 8.380 nan 0.000 0.430 177 V N 1.855 121.773 119.914 0.008 0.000 2.295 177 V HA -0.182 3.938 4.120 -0.000 0.000 0.246 177 V C 2.541 178.644 176.094 0.014 0.000 1.049 177 V CA 1.783 64.090 62.300 0.011 0.000 1.024 177 V CB -0.969 30.863 31.823 0.014 0.000 0.648 177 V HN 0.270 nan 8.190 nan 0.000 0.447 178 A N -0.080 122.750 122.820 0.017 0.000 1.908 178 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 178 A C 2.367 179.959 177.584 0.013 0.000 1.181 178 A CA 1.998 54.047 52.037 0.021 0.000 0.627 178 A CB -0.509 18.507 19.000 0.027 0.000 0.818 178 A HN 0.519 nan 8.150 nan 0.000 0.445 179 R N -1.286 119.217 120.500 0.005 0.000 2.115 179 R HA -0.038 4.302 4.340 -0.000 0.000 0.230 179 R C 2.498 178.788 176.300 -0.016 0.000 1.111 179 R CA 1.258 57.352 56.100 -0.009 0.000 0.976 179 R CB -0.233 30.061 30.300 -0.010 0.000 0.870 179 R HN 0.558 nan 8.270 nan 0.000 0.445 180 R N 0.929 121.424 120.500 -0.008 0.000 2.066 180 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 180 R C 2.140 178.432 176.300 -0.013 0.000 1.131 180 R CA 1.183 57.276 56.100 -0.012 0.000 0.955 180 R CB -0.178 30.119 30.300 -0.004 0.000 0.851 180 R HN 0.176 nan 8.270 nan 0.000 0.432 181 L N 0.830 122.053 121.223 -0.000 0.000 2.131 181 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 181 L C 2.813 179.685 176.870 0.004 0.000 1.092 181 L CA 1.536 56.381 54.840 0.008 0.000 0.759 181 L CB -0.637 41.438 42.059 0.027 0.000 0.903 181 L HN 0.449 nan 8.230 nan 0.000 0.435 182 Q N 0.765 120.561 119.800 -0.005 0.000 2.124 182 Q HA -0.229 4.111 4.340 -0.000 0.000 0.202 182 Q C 2.232 178.202 176.000 -0.049 0.000 0.977 182 Q CA 1.584 57.373 55.803 -0.024 0.000 0.850 182 Q CB 0.022 28.732 28.738 -0.046 0.000 0.901 182 Q HN 0.430 nan 8.270 nan 0.000 0.429 183 R N -0.164 120.301 120.500 -0.058 0.000 2.148 183 R HA 0.026 4.366 4.340 -0.000 0.000 0.223 183 R C 2.241 178.470 176.300 -0.119 0.000 1.088 183 R CA 1.216 57.264 56.100 -0.086 0.000 0.985 183 R CB -0.052 30.205 30.300 -0.072 0.000 0.880 183 R HN 0.356 nan 8.270 nan 0.000 0.451 184 I N -0.041 120.477 120.570 -0.087 0.000 2.333 184 I HA -0.181 3.989 4.170 -0.000 0.000 0.246 184 I C 2.009 178.072 176.117 -0.090 0.000 1.106 184 I CA 0.890 62.129 61.300 -0.102 0.000 1.411 184 I CB 0.029 37.997 38.000 -0.054 0.000 1.082 184 I HN 0.126 nan 8.210 nan 0.000 0.420 185 M N -0.328 119.259 119.600 -0.021 0.000 2.435 185 M HA 0.096 4.576 4.480 -0.000 0.000 0.265 185 M C 1.037 177.418 176.300 0.136 0.000 1.104 185 M CA 0.644 55.974 55.300 0.049 0.000 1.140 185 M CB -0.672 32.023 32.600 0.159 0.000 1.372 185 M HN -0.029 nan 8.290 nan 0.000 0.456 186 S N 1.672 117.416 115.700 0.073 0.000 2.580 186 S HA 0.294 4.764 4.470 -0.000 0.000 0.274 186 S C 0.581 175.196 174.600 0.024 0.000 1.329 186 S CA -0.494 57.754 58.200 0.081 0.000 1.036 186 S CB 0.897 64.076 63.200 -0.035 0.000 0.919 186 S HN 0.474 nan 8.310 nan 0.000 0.515 187 T N -0.899 113.700 114.554 0.074 0.000 2.925 187 T HA 0.587 4.937 4.350 -0.000 0.000 0.285 187 T C 1.248 175.984 174.700 0.061 0.000 1.021 187 T CA -0.596 61.538 62.100 0.057 0.000 1.042 187 T CB 1.533 70.458 68.868 0.095 0.000 1.037 187 T HN 0.513 nan 8.240 nan 0.000 0.481 188 G N 0.785 109.632 108.800 0.078 0.000 2.511 188 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.217 188 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.217 188 G C 0.929 175.881 174.900 0.087 0.000 1.133 188 G CA 0.496 45.649 45.100 0.088 0.000 0.792 188 G HN 0.892 nan 8.290 nan 0.000 0.539 189 D N -0.024 120.433 120.400 0.095 0.000 2.352 189 D HA -0.033 4.607 4.640 -0.000 0.000 0.232 189 D C 1.091 177.467 176.300 0.126 0.000 1.055 189 D CA -0.344 53.715 54.000 0.098 0.000 0.891 189 D CB -0.146 40.710 40.800 0.093 0.000 0.897 189 D HN 0.040 nan 8.370 nan 0.000 0.529 190 R N -0.437 120.141 120.500 0.130 0.000 3.758 190 R HA -0.189 4.151 4.340 -0.000 0.000 0.299 190 R C 1.190 177.649 176.300 0.265 0.000 1.182 190 R CA 0.990 57.198 56.100 0.179 0.000 0.809 190 R CB -3.164 27.249 30.300 0.189 0.000 1.249 190 R HN 0.556 nan 8.270 nan 0.000 0.497 191 S N -1.466 114.355 115.700 0.201 0.000 2.446 191 S HA 0.092 4.562 4.470 -0.000 0.000 0.225 191 S C 0.509 175.174 174.600 0.109 0.000 1.016 191 S CA 0.191 58.514 58.200 0.205 0.000 0.943 191 S CB 0.234 63.541 63.200 0.178 0.000 0.786 191 S HN 0.288 nan 8.310 nan 0.000 0.508 192 F N 1.732 121.635 119.950 -0.078 0.000 2.553 192 F HA 0.641 5.168 4.527 -0.001 0.000 0.335 192 F C -1.393 174.334 175.800 -0.123 0.000 1.148 192 F CA -0.947 56.979 58.000 -0.124 0.000 0.963 192 F CB 1.962 40.925 39.000 -0.061 0.000 1.217 192 F HN -0.127 nan 8.300 nan 0.000 0.441 193 V N 5.271 124.898 119.914 -0.479 0.000 2.531 193 V HA 0.400 4.520 4.120 -0.000 0.000 0.301 193 V C -0.615 175.265 176.094 -0.356 0.000 1.034 193 V CA -0.789 61.315 62.300 -0.326 0.000 0.865 193 V CB 1.478 33.173 31.823 -0.213 0.000 0.995 193 V HN 0.884 nan 8.190 nan 0.000 0.424 194 C N 4.049 123.169 119.300 -0.300 0.000 2.391 194 C HA 0.697 5.157 4.460 -0.000 0.000 0.339 194 C C -0.785 174.062 174.990 -0.240 0.000 1.205 194 C CA -0.858 58.068 59.018 -0.155 0.000 1.937 194 C CB 0.983 28.683 27.740 -0.066 0.000 2.341 194 C HN 0.888 nan 8.230 nan 0.000 0.516 195 W N 1.353 122.603 121.300 -0.082 0.000 2.600 195 W HA 0.614 5.273 4.660 -0.000 0.000 0.325 195 W C 0.018 176.519 176.519 -0.030 0.000 1.034 195 W CA -0.331 56.986 57.345 -0.047 0.000 1.226 195 W CB 0.976 30.410 29.460 -0.045 0.000 1.379 195 W HN 0.874 nan 8.180 nan 0.000 0.466 196 A N 2.159 125.069 122.820 0.149 0.000 2.340 196 A HA 0.785 5.105 4.320 -0.000 0.000 0.268 196 A C -0.098 177.544 177.584 0.097 0.000 1.100 196 A CA 0.007 52.099 52.037 0.091 0.000 0.803 196 A CB 1.084 20.110 19.000 0.043 0.000 1.043 196 A HN 0.548 nan 8.150 nan 0.000 0.488 197 T N -1.001 113.592 114.554 0.065 0.000 2.802 197 T HA 0.491 4.841 4.350 -0.000 0.000 0.311 197 T C 0.639 175.355 174.700 0.026 0.000 1.405 197 T CA 0.347 62.475 62.100 0.046 0.000 1.016 197 T CB 1.147 70.039 68.868 0.040 0.000 1.352 197 T HN 1.129 nan 8.240 nan 0.000 0.498 198 T N -1.112 113.451 114.554 0.015 0.000 3.054 198 T HA 0.243 4.593 4.350 -0.000 0.000 0.255 198 T C 0.444 175.138 174.700 -0.009 0.000 1.035 198 T CA 0.032 62.135 62.100 0.005 0.000 0.941 198 T CB -0.036 68.835 68.868 0.005 0.000 1.026 198 T HN 0.453 nan 8.240 nan 0.000 0.533 199 D N 3.339 123.730 120.400 -0.015 0.000 2.608 199 D HA 0.131 4.771 4.640 -0.000 0.000 0.224 199 D C 1.668 177.935 176.300 -0.054 0.000 1.123 199 D CA 0.202 54.180 54.000 -0.036 0.000 1.030 199 D CB 0.411 41.186 40.800 -0.041 0.000 1.093 199 D HN 0.452 nan 8.370 nan 0.000 0.497 200 T N -1.985 112.538 114.554 -0.053 0.000 2.821 200 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 200 T C 2.009 176.633 174.700 -0.127 0.000 1.046 200 T CA 0.757 62.818 62.100 -0.066 0.000 1.139 200 T CB -0.328 68.514 68.868 -0.042 0.000 0.871 200 T HN 0.106 nan 8.240 nan 0.000 0.454 201 V N 2.162 121.995 119.914 -0.136 0.000 2.295 201 V HA -0.014 4.106 4.120 -0.000 0.000 0.246 201 V C 3.128 179.072 176.094 -0.250 0.000 1.049 201 V CA 1.954 64.127 62.300 -0.213 0.000 1.024 201 V CB -1.524 30.210 31.823 -0.147 0.000 0.648 201 V HN 0.677 nan 8.190 nan 0.000 0.447 202 G N -1.236 107.463 108.800 -0.169 0.000 2.440 202 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.218 202 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.218 202 G C 1.751 176.549 174.900 -0.170 0.000 1.154 202 G CA 1.407 46.409 45.100 -0.163 0.000 0.767 202 G HN 0.532 nan 8.290 nan 0.000 0.552 203 C N 1.144 120.357 119.300 -0.144 0.000 2.432 203 C HA -0.024 4.436 4.460 -0.000 0.000 0.277 203 C C 2.934 177.834 174.990 -0.150 0.000 1.249 203 C CA 1.280 60.227 59.018 -0.118 0.000 1.725 203 C CB -0.762 26.935 27.740 -0.072 0.000 2.028 203 C HN 0.802 nan 8.230 nan 0.000 0.477 204 E N 0.731 120.789 120.200 -0.236 0.000 2.152 204 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 204 E C 1.916 178.263 176.600 -0.422 0.000 0.983 204 E CA 1.376 57.594 56.400 -0.304 0.000 0.818 204 E CB -0.382 29.084 29.700 -0.390 0.000 0.758 204 E HN 0.441 nan 8.360 nan 0.000 0.467 205 V N 2.021 121.618 119.914 -0.529 0.000 2.307 205 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 205 V C 2.685 178.724 176.094 -0.092 0.000 1.045 205 V CA 1.929 64.050 62.300 -0.298 0.000 1.024 205 V CB -0.742 30.939 31.823 -0.237 0.000 0.651 205 V HN 0.483 nan 8.190 nan 0.000 0.449 206 A N -0.398 122.347 122.820 -0.124 0.000 1.877 206 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 206 A C 2.489 180.044 177.584 -0.048 0.000 1.186 206 A CA 2.328 54.312 52.037 -0.089 0.000 0.620 206 A CB -0.784 18.145 19.000 -0.118 0.000 0.822 206 A HN 0.502 nan 8.150 nan 0.000 0.443 207 S N -0.277 115.396 115.700 -0.044 0.000 2.383 207 S HA -0.058 4.412 4.470 -0.000 0.000 0.229 207 S C 2.256 176.878 174.600 0.037 0.000 1.030 207 S CA 1.278 59.473 58.200 -0.010 0.000 1.002 207 S CB -0.412 62.789 63.200 0.001 0.000 0.829 207 S HN 0.799 nan 8.310 nan 0.000 0.467 208 A N 0.827 123.700 122.820 0.089 0.000 1.872 208 A HA 0.037 4.357 4.320 -0.000 0.000 0.214 208 A C 2.306 179.946 177.584 0.095 0.000 1.187 208 A CA 1.210 53.330 52.037 0.139 0.000 0.614 208 A CB -0.708 18.471 19.000 0.298 0.000 0.826 208 A HN 0.342 nan 8.150 nan 0.000 0.442 209 V N 1.267 121.229 119.914 0.081 0.000 2.453 209 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 209 V C 2.524 178.641 176.094 0.039 0.000 1.048 209 V CA 2.284 64.617 62.300 0.056 0.000 1.049 209 V CB -0.763 31.083 31.823 0.039 0.000 0.672 209 V HN 0.842 nan 8.190 nan 0.000 0.457 210 K N 0.896 121.309 120.400 0.022 0.000 2.147 210 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 210 K C 1.675 178.298 176.600 0.039 0.000 1.049 210 K CA 1.954 58.251 56.287 0.017 0.000 0.936 210 K CB -0.619 31.875 32.500 -0.011 0.000 0.722 210 K HN 0.328 nan 8.250 nan 0.000 0.446 211 N N 0.656 119.383 118.700 0.045 0.000 2.166 211 N HA -0.093 4.647 4.740 -0.000 0.000 0.186 211 N C 1.693 177.245 175.510 0.070 0.000 1.019 211 N CA 1.404 54.492 53.050 0.062 0.000 0.856 211 N CB -0.234 38.290 38.487 0.061 0.000 0.993 211 N HN 0.119 nan 8.380 nan 0.000 0.426 212 V N 1.507 121.461 119.914 0.067 0.000 2.307 212 V HA -0.140 3.980 4.120 -0.000 0.000 0.245 212 V C 2.378 178.509 176.094 0.062 0.000 1.045 212 V CA 1.089 63.432 62.300 0.072 0.000 1.024 212 V CB -0.503 31.366 31.823 0.076 0.000 0.651 212 V HN 0.213 nan 8.190 nan 0.000 0.449 213 L N 0.237 121.494 121.223 0.056 0.000 2.131 213 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 213 L C 2.673 179.580 176.870 0.062 0.000 1.092 213 L CA 1.454 56.325 54.840 0.053 0.000 0.759 213 L CB -0.737 41.349 42.059 0.046 0.000 0.903 213 L HN 0.366 nan 8.230 nan 0.000 0.435 214 A N 0.209 123.078 122.820 0.082 0.000 1.969 214 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 214 A C 2.213 179.842 177.584 0.074 0.000 1.169 214 A CA 1.221 53.335 52.037 0.128 0.000 0.635 214 A CB -0.557 18.542 19.000 0.164 0.000 0.810 214 A HN 0.353 nan 8.150 nan 0.000 0.445 215 I N -0.238 120.355 120.570 0.039 0.000 2.163 215 I HA -0.245 3.925 4.170 -0.000 0.000 0.243 215 I C 2.724 178.801 176.117 -0.066 0.000 1.085 215 I CA 1.261 62.550 61.300 -0.019 0.000 1.347 215 I CB -0.771 37.234 38.000 0.009 0.000 1.044 215 I HN 0.401 nan 8.210 nan 0.000 0.408 216 G N -0.308 108.479 108.800 -0.021 0.000 2.440 216 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.218 216 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.218 216 G C 1.783 176.651 174.900 -0.053 0.000 1.154 216 G CA 1.124 46.208 45.100 -0.027 0.000 0.767 216 G HN 0.388 nan 8.290 nan 0.000 0.552 217 S N 0.415 116.099 115.700 -0.027 0.000 2.368 217 S HA -0.014 4.456 4.470 -0.000 0.000 0.225 217 S C 2.534 176.983 174.600 -0.252 0.000 1.030 217 S CA 1.840 60.038 58.200 -0.004 0.000 0.999 217 S CB -0.751 62.557 63.200 0.181 0.000 0.844 217 S HN 0.482 nan 8.310 nan 0.000 0.459 218 G N 0.839 109.273 108.800 -0.611 0.000 2.440 218 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.218 218 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.218 218 G C 1.494 176.091 174.900 -0.505 0.000 1.154 218 G CA 1.140 45.566 45.100 -1.124 0.000 0.767 218 G HN 0.468 nan 8.290 nan 0.000 0.552 219 V N 1.612 121.361 119.914 -0.274 0.000 2.287 219 V HA -0.171 3.949 4.120 -0.000 0.000 0.248 219 V C 3.356 179.381 176.094 -0.115 0.000 1.053 219 V CA 2.099 64.306 62.300 -0.155 0.000 1.027 219 V CB -0.953 30.812 31.823 -0.097 0.000 0.646 219 V HN 0.496 nan 8.190 nan 0.000 0.447 220 A N 0.316 123.080 122.820 -0.094 0.000 1.892 220 A HA -0.330 3.990 4.320 -0.000 0.000 0.218 220 A C 2.229 179.794 177.584 -0.031 0.000 1.188 220 A CA 2.349 54.362 52.037 -0.041 0.000 0.631 220 A CB -0.898 18.098 19.000 -0.006 0.000 0.822 220 A HN 0.646 nan 8.150 nan 0.000 0.447 221 N N -0.092 118.577 118.700 -0.052 0.000 2.120 221 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 221 N C 1.910 177.413 175.510 -0.011 0.000 1.024 221 N CA 1.631 54.688 53.050 0.011 0.000 0.852 221 N CB -0.409 38.136 38.487 0.096 0.000 1.003 221 N HN 0.383 nan 8.380 nan 0.000 0.424 222 G N 1.116 109.874 108.800 -0.070 0.000 2.443 222 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.219 222 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.219 222 G C 1.651 176.533 174.900 -0.029 0.000 1.131 222 G CA 0.097 45.168 45.100 -0.048 0.000 0.775 222 G HN 0.287 nan 8.290 nan 0.000 0.547 223 L N 0.174 121.378 121.223 -0.031 0.000 2.552 223 L HA 0.206 4.546 4.340 -0.000 0.000 0.227 223 L C 2.019 178.887 176.870 -0.004 0.000 1.146 223 L CA 0.533 55.362 54.840 -0.018 0.000 0.858 223 L CB -0.011 42.036 42.059 -0.019 0.000 0.969 223 L HN 0.386 nan 8.230 nan 0.000 0.451 224 G N -0.333 108.470 108.800 0.004 0.000 2.131 224 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.223 224 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.223 224 G C 0.249 175.160 174.900 0.019 0.000 0.990 224 G CA -0.103 45.005 45.100 0.014 0.000 0.671 224 G HN 0.209 nan 8.290 nan 0.000 0.521 225 M N 0.169 119.780 119.600 0.019 0.000 2.163 225 M HA 0.541 5.021 4.480 -0.000 0.000 0.305 225 M C 1.354 177.677 176.300 0.039 0.000 1.166 225 M CA 0.567 55.882 55.300 0.025 0.000 1.132 225 M CB 0.650 33.262 32.600 0.021 0.000 1.413 225 M HN 0.240 nan 8.290 nan 0.000 0.478 226 G N -0.067 108.757 108.800 0.039 0.000 2.828 226 G HA2 0.544 4.504 3.960 -0.000 0.000 0.244 226 G HA3 0.544 4.504 3.960 -0.000 0.000 0.244 226 G C 0.411 175.343 174.900 0.054 0.000 1.365 226 G CA -0.746 44.381 45.100 0.045 0.000 1.041 226 G HN 0.738 nan 8.290 nan 0.000 0.560 227 L N -0.136 121.116 121.223 0.049 0.000 2.156 227 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 227 L C 2.539 179.435 176.870 0.044 0.000 1.095 227 L CA 0.542 55.412 54.840 0.051 0.000 0.770 227 L CB -0.298 41.785 42.059 0.041 0.000 0.914 227 L HN 0.329 nan 8.230 nan 0.000 0.439 228 N N 0.849 119.571 118.700 0.035 0.000 2.120 228 N HA -0.157 4.583 4.740 -0.000 0.000 0.188 228 N C 1.940 177.470 175.510 0.034 0.000 1.024 228 N CA 1.601 54.669 53.050 0.031 0.000 0.852 228 N CB -0.368 38.134 38.487 0.024 0.000 1.003 228 N HN 0.301 nan 8.380 nan 0.000 0.424 229 A N 1.251 124.092 122.820 0.036 0.000 1.902 229 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 229 A C 2.244 179.856 177.584 0.046 0.000 1.181 229 A CA 1.448 53.507 52.037 0.037 0.000 0.623 229 A CB -0.560 18.460 19.000 0.034 0.000 0.818 229 A HN 0.270 nan 8.150 nan 0.000 0.443 230 R N -0.304 120.232 120.500 0.060 0.000 2.091 230 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 230 R C 2.238 178.577 176.300 0.065 0.000 1.136 230 R CA 1.583 57.730 56.100 0.078 0.000 0.959 230 R CB -0.413 29.949 30.300 0.104 0.000 0.856 230 R HN 0.442 nan 8.270 nan 0.000 0.437 231 A N 0.534 123.386 122.820 0.052 0.000 1.930 231 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 231 A C 2.329 179.938 177.584 0.041 0.000 1.175 231 A CA 1.536 53.599 52.037 0.044 0.000 0.627 231 A CB -0.645 18.376 19.000 0.035 0.000 0.815 231 A HN 0.546 nan 8.150 nan 0.000 0.443 232 A N -0.337 122.506 122.820 0.038 0.000 1.898 232 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 232 A C 2.192 179.799 177.584 0.039 0.000 1.181 232 A CA 1.464 53.522 52.037 0.035 0.000 0.620 232 A CB -0.620 18.398 19.000 0.030 0.000 0.819 232 A HN 0.664 nan 8.150 nan 0.000 0.442 233 L N -0.435 120.814 121.223 0.043 0.000 2.046 233 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 233 L C 2.304 179.203 176.870 0.049 0.000 1.077 233 L CA 1.646 56.514 54.840 0.045 0.000 0.747 233 L CB -0.241 41.847 42.059 0.048 0.000 0.896 233 L HN 0.425 nan 8.230 nan 0.000 0.432 234 I N -0.818 119.784 120.570 0.054 0.000 2.179 234 I HA -0.324 3.846 4.170 -0.000 0.000 0.242 234 I C 2.588 178.738 176.117 0.055 0.000 1.088 234 I CA 1.490 62.822 61.300 0.053 0.000 1.357 234 I CB -0.332 37.701 38.000 0.054 0.000 1.051 234 I HN 0.426 nan 8.210 nan 0.000 0.409 235 M N 0.487 120.120 119.600 0.055 0.000 2.099 235 M HA -0.178 4.302 4.480 -0.000 0.000 0.262 235 M C 2.421 178.760 176.300 0.065 0.000 1.067 235 M CA 1.841 57.180 55.300 0.064 0.000 1.124 235 M CB -0.513 32.115 32.600 0.048 0.000 1.353 235 M HN 0.118 nan 8.290 nan 0.000 0.410 236 R N -0.013 120.517 120.500 0.049 0.000 2.092 236 R HA 0.013 4.353 4.340 -0.000 0.000 0.231 236 R C 2.297 178.622 176.300 0.040 0.000 1.119 236 R CA 1.450 57.576 56.100 0.044 0.000 0.970 236 R CB -1.732 28.590 30.300 0.036 0.000 0.864 236 R HN 0.574 nan 8.270 nan 0.000 0.440 237 G N 1.155 109.978 108.800 0.039 0.000 2.422 237 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 237 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 237 G C 1.387 176.296 174.900 0.014 0.000 1.146 237 G CA 0.216 45.334 45.100 0.030 0.000 0.769 237 G HN 0.192 nan 8.290 nan 0.000 0.547 238 L N 0.631 121.866 121.223 0.020 0.000 2.191 238 L HA 0.127 4.467 4.340 -0.000 0.000 0.212 238 L C 2.672 179.520 176.870 -0.038 0.000 1.103 238 L CA 1.037 55.866 54.840 -0.019 0.000 0.769 238 L CB -0.375 41.705 42.059 0.036 0.000 0.908 238 L HN 0.217 nan 8.230 nan 0.000 0.438 239 L N -1.216 120.019 121.223 0.021 0.000 2.131 239 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 239 L C 2.320 179.185 176.870 -0.009 0.000 1.092 239 L CA 1.159 56.011 54.840 0.020 0.000 0.759 239 L CB -0.603 41.480 42.059 0.040 0.000 0.903 239 L HN 0.345 nan 8.230 nan 0.000 0.435 240 E N 0.454 120.649 120.200 -0.008 0.000 2.072 240 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 240 E C 2.330 178.914 176.600 -0.027 0.000 0.982 240 E CA 0.931 57.326 56.400 -0.009 0.000 0.803 240 E CB -0.057 29.647 29.700 0.008 0.000 0.755 240 E HN 0.467 nan 8.360 nan 0.000 0.453 241 I N 1.226 121.766 120.570 -0.049 0.000 2.163 241 I HA -0.308 3.862 4.170 -0.000 0.000 0.243 241 I C 2.831 178.881 176.117 -0.111 0.000 1.085 241 I CA 1.169 62.421 61.300 -0.080 0.000 1.347 241 I CB -0.284 37.646 38.000 -0.118 0.000 1.044 241 I HN 0.067 nan 8.210 nan 0.000 0.408 242 R N 0.997 121.413 120.500 -0.141 0.000 2.080 242 R HA -0.216 4.124 4.340 -0.000 0.000 0.236 242 R C 1.862 178.116 176.300 -0.077 0.000 1.137 242 R CA 2.300 58.312 56.100 -0.147 0.000 0.943 242 R CB -0.258 29.962 30.300 -0.133 0.000 0.846 242 R HN 0.290 nan 8.270 nan 0.000 0.431 243 D N 0.659 121.031 120.400 -0.046 0.000 2.117 243 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 243 D C 1.833 178.118 176.300 -0.026 0.000 0.987 243 D CA 0.819 54.803 54.000 -0.028 0.000 0.829 243 D CB -0.259 40.531 40.800 -0.017 0.000 0.961 243 D HN 0.175 nan 8.370 nan 0.000 0.460 244 L N 0.705 121.914 121.223 -0.024 0.000 2.093 244 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 244 L C 2.117 178.977 176.870 -0.017 0.000 1.085 244 L CA 1.644 56.480 54.840 -0.007 0.000 0.755 244 L CB -0.872 41.195 42.059 0.014 0.000 0.904 244 L HN -0.053 nan 8.230 nan 0.000 0.435 245 T N -0.158 114.366 114.554 -0.049 0.000 2.720 245 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 245 T C 1.913 176.582 174.700 -0.053 0.000 1.037 245 T CA 1.408 63.465 62.100 -0.072 0.000 1.144 245 T CB -0.510 68.294 68.868 -0.108 0.000 0.864 245 T HN 0.535 nan 8.240 nan 0.000 0.444 246 A N 1.431 124.225 122.820 -0.044 0.000 1.908 246 A HA 0.103 4.423 4.320 -0.000 0.000 0.218 246 A C 2.634 180.205 177.584 -0.021 0.000 1.181 246 A CA 1.918 53.937 52.037 -0.031 0.000 0.627 246 A CB -1.102 17.883 19.000 -0.025 0.000 0.818 246 A HN 0.518 nan 8.150 nan 0.000 0.445 247 A N -0.748 122.062 122.820 -0.016 0.000 1.969 247 A HA 0.065 4.385 4.320 -0.000 0.000 0.218 247 A C 1.948 179.530 177.584 -0.002 0.000 1.169 247 A CA 1.334 53.366 52.037 -0.009 0.000 0.635 247 A CB -0.436 18.560 19.000 -0.006 0.000 0.810 247 A HN 0.460 nan 8.150 nan 0.000 0.445 248 L N -1.369 119.855 121.223 0.001 0.000 2.591 248 L HA 0.213 4.553 4.340 -0.000 0.000 0.228 248 L C 1.579 178.444 176.870 -0.009 0.000 1.133 248 L CA 0.539 55.387 54.840 0.012 0.000 0.880 248 L CB 0.048 42.128 42.059 0.036 0.000 1.033 248 L HN 0.581 nan 8.230 nan 0.000 0.450 249 G N -0.295 108.493 108.800 -0.019 0.000 2.141 249 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.242 249 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.242 249 G C 0.579 175.459 174.900 -0.033 0.000 0.982 249 G CA -0.188 44.899 45.100 -0.022 0.000 0.662 249 G HN 0.496 nan 8.290 nan 0.000 0.527 250 G N 0.225 108.997 108.800 -0.048 0.000 2.544 250 G HA2 0.456 4.415 3.960 -0.000 0.000 0.242 250 G HA3 0.456 4.415 3.960 -0.000 0.000 0.242 250 G C 0.797 175.670 174.900 -0.045 0.000 1.247 250 G CA 0.657 45.722 45.100 -0.059 0.000 0.840 250 G HN 0.557 nan 8.290 nan 0.000 0.578 251 D N -0.959 119.417 120.400 -0.039 0.000 2.355 251 D HA 0.128 4.768 4.640 -0.000 0.000 0.218 251 D C 1.705 177.988 176.300 -0.028 0.000 1.004 251 D CA 0.816 54.800 54.000 -0.026 0.000 0.880 251 D CB -0.166 40.625 40.800 -0.015 0.000 0.911 251 D HN 1.061 nan 8.370 nan 0.000 0.528 252 G N 0.109 108.879 108.800 -0.050 0.000 2.179 252 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.260 252 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.260 252 G C 1.239 176.108 174.900 -0.051 0.000 0.977 252 G CA 1.002 46.062 45.100 -0.066 0.000 0.641 252 G HN 0.691 nan 8.290 nan 0.000 0.533 253 S N -0.184 115.500 115.700 -0.025 0.000 2.419 253 S HA 0.283 4.753 4.470 -0.000 0.000 0.233 253 S C 2.436 177.022 174.600 -0.024 0.000 1.016 253 S CA 1.464 59.664 58.200 -0.000 0.000 0.974 253 S CB -0.225 62.980 63.200 0.009 0.000 0.786 253 S HN 1.708 nan 8.310 nan 0.000 0.492 254 A N 1.107 123.888 122.820 -0.065 0.000 2.119 254 A HA 0.298 4.618 4.320 -0.000 0.000 0.216 254 A C 2.201 179.697 177.584 -0.146 0.000 1.152 254 A CA 0.751 52.736 52.037 -0.088 0.000 0.708 254 A CB -0.695 18.251 19.000 -0.090 0.000 0.805 254 A HN 0.405 nan 8.150 nan 0.000 0.460 255 V N -1.273 118.503 119.914 -0.230 0.000 2.287 255 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 255 V C 1.712 177.475 176.094 -0.552 0.000 1.053 255 V CA 1.863 63.891 62.300 -0.454 0.000 1.027 255 V CB -0.805 30.605 31.823 -0.688 0.000 0.646 255 V HN 0.650 nan 8.190 nan 0.000 0.447 256 F N -0.118 119.798 119.950 -0.056 0.000 2.639 256 F HA 0.484 5.010 4.527 -0.000 0.000 0.300 256 F C 1.295 177.047 175.800 -0.080 0.000 1.109 256 F CA 0.083 58.047 58.000 -0.061 0.000 1.335 256 F CB -0.072 38.897 39.000 -0.052 0.000 1.014 256 F HN 0.169 nan 8.300 nan 0.000 0.537 257 G N -0.133 108.666 108.800 -0.002 0.000 2.702 257 G HA2 0.359 4.319 3.960 -0.000 0.000 0.254 257 G HA3 0.359 4.319 3.960 -0.000 0.000 0.254 257 G C 0.836 175.674 174.900 -0.104 0.000 1.380 257 G CA -0.557 44.504 45.100 -0.066 0.000 1.042 257 G HN 0.099 nan 8.290 nan 0.000 0.557 258 L N 0.104 121.238 121.223 -0.149 0.000 2.083 258 L HA -0.056 4.284 4.340 -0.000 0.000 0.209 258 L C 3.265 180.067 176.870 -0.114 0.000 1.083 258 L CA 1.459 56.206 54.840 -0.154 0.000 0.752 258 L CB -0.355 41.588 42.059 -0.193 0.000 0.899 258 L HN 0.553 nan 8.230 nan 0.000 0.433 259 A N -0.151 122.610 122.820 -0.098 0.000 1.930 259 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 259 A C 2.146 179.670 177.584 -0.100 0.000 1.175 259 A CA 1.632 53.616 52.037 -0.088 0.000 0.627 259 A CB -0.837 18.117 19.000 -0.078 0.000 0.815 259 A HN 0.432 nan 8.150 nan 0.000 0.443 260 G N -0.807 107.923 108.800 -0.115 0.000 2.549 260 G HA2 0.169 4.129 3.960 -0.000 0.000 0.219 260 G HA3 0.169 4.129 3.960 -0.000 0.000 0.219 260 G C 1.395 176.236 174.900 -0.098 0.000 1.677 260 G CA 0.367 45.388 45.100 -0.132 0.000 0.929 260 G HN 0.427 nan 8.290 nan 0.000 0.549 261 L N 0.905 122.083 121.223 -0.076 0.000 2.021 261 L HA -0.067 4.273 4.340 -0.000 0.000 0.215 261 L C 2.781 179.632 176.870 -0.032 0.000 1.074 261 L CA 2.500 57.337 54.840 -0.005 0.000 0.760 261 L CB -0.626 41.487 42.059 0.090 0.000 0.889 261 L HN 0.349 nan 8.230 nan 0.000 0.433 262 G N -1.116 107.647 108.800 -0.063 0.000 2.433 262 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.216 262 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.216 262 G C 1.261 176.097 174.900 -0.107 0.000 1.186 262 G CA 0.906 45.955 45.100 -0.086 0.000 0.779 262 G HN 0.464 nan 8.290 nan 0.000 0.543 263 D N -0.164 120.165 120.400 -0.119 0.000 2.144 263 D HA -0.056 4.584 4.640 -0.000 0.000 0.200 263 D C 2.430 178.658 176.300 -0.120 0.000 0.978 263 D CA 0.413 54.323 54.000 -0.151 0.000 0.833 263 D CB -0.226 40.493 40.800 -0.134 0.000 0.961 263 D HN 0.169 nan 8.370 nan 0.000 0.470 264 L N 0.959 122.138 121.223 -0.073 0.000 1.994 264 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 264 L C 2.365 179.226 176.870 -0.016 0.000 1.071 264 L CA 2.232 57.053 54.840 -0.033 0.000 0.745 264 L CB -1.162 40.884 42.059 -0.020 0.000 0.892 264 L HN 0.056 nan 8.230 nan 0.000 0.431 265 Q N -0.459 119.328 119.800 -0.022 0.000 2.124 265 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 265 Q C 2.046 178.034 176.000 -0.019 0.000 0.977 265 Q CA 2.448 58.249 55.803 -0.004 0.000 0.850 265 Q CB -1.176 27.560 28.738 -0.002 0.000 0.901 265 Q HN 0.526 nan 8.270 nan 0.000 0.429 266 L N 0.484 121.658 121.223 -0.081 0.000 2.005 266 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 266 L C 2.007 178.830 176.870 -0.079 0.000 1.072 266 L CA 2.561 57.316 54.840 -0.142 0.000 0.744 266 L CB -1.006 40.842 42.059 -0.352 0.000 0.895 266 L HN 0.333 nan 8.230 nan 0.000 0.433 267 T N -1.491 113.009 114.554 -0.089 0.000 2.867 267 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 267 T C 1.796 176.612 174.700 0.194 0.000 1.057 267 T CA 1.436 63.585 62.100 0.081 0.000 1.136 267 T CB -0.664 68.221 68.868 0.029 0.000 0.874 267 T HN 0.466 nan 8.240 nan 0.000 0.466 268 C N 1.450 120.841 119.300 0.150 0.000 2.522 268 C HA 0.201 4.660 4.460 -0.000 0.000 0.271 268 C C 2.324 177.448 174.990 0.222 0.000 1.425 268 C CA 0.101 59.267 59.018 0.247 0.000 1.751 268 C CB -1.088 26.749 27.740 0.162 0.000 1.775 268 C HN 0.418 nan 8.230 nan 0.000 0.557 269 S N -0.846 114.877 115.700 0.039 0.000 2.629 269 S HA 0.180 4.650 4.470 -0.000 0.000 0.236 269 S C 0.231 174.675 174.600 -0.260 0.000 1.010 269 S CA 0.128 58.288 58.200 -0.066 0.000 0.981 269 S CB 0.278 63.481 63.200 0.006 0.000 0.919 269 S HN 0.474 nan 8.310 nan 0.000 0.514 270 S N 1.718 117.150 115.700 -0.448 0.000 2.543 270 S HA 0.211 4.681 4.470 -0.000 0.000 0.271 270 S C 0.443 174.632 174.600 -0.684 0.000 1.148 270 S CA -0.630 57.293 58.200 -0.461 0.000 0.914 270 S CB 1.113 64.268 63.200 -0.076 0.000 1.096 270 S HN 0.258 nan 8.310 nan 0.000 0.471 271 E N 4.734 124.589 120.200 -0.575 0.000 2.409 271 E HA -0.075 4.275 4.350 -0.000 0.000 0.198 271 E C 1.366 177.861 176.600 -0.174 0.000 1.024 271 E CA 0.633 56.901 56.400 -0.220 0.000 0.861 271 E CB -0.351 29.306 29.700 -0.071 0.000 0.788 271 E HN 0.752 nan 8.360 nan 0.000 0.521 272 L N 1.285 122.288 121.223 -0.367 0.000 2.265 272 L HA -0.049 4.291 4.340 -0.000 0.000 0.215 272 L C 1.688 178.272 176.870 -0.477 0.000 1.117 272 L CA 0.608 55.107 54.840 -0.567 0.000 0.782 272 L CB -0.363 41.028 42.059 -1.114 0.000 0.914 272 L HN 0.014 nan 8.230 nan 0.000 0.441 273 S N -0.350 115.233 115.700 -0.194 0.000 2.510 273 S HA 0.091 4.561 4.470 -0.000 0.000 0.279 273 S C 1.184 175.877 174.600 0.155 0.000 1.284 273 S CA -0.585 57.722 58.200 0.179 0.000 1.059 273 S CB 0.984 64.406 63.200 0.370 0.000 0.901 273 S HN 0.134 nan 8.310 nan 0.000 0.491 274 R N 3.992 124.573 120.500 0.135 0.000 2.096 274 R HA 0.011 4.351 4.340 -0.000 0.000 0.235 274 R C 2.070 178.447 176.300 0.129 0.000 1.127 274 R CA 1.832 58.002 56.100 0.116 0.000 0.968 274 R CB -0.356 30.007 30.300 0.104 0.000 0.861 274 R HN 0.651 nan 8.270 nan 0.000 0.440 275 N N -0.357 118.431 118.700 0.147 0.000 2.142 275 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 275 N C 1.620 177.210 175.510 0.135 0.000 1.023 275 N CA 1.063 54.187 53.050 0.124 0.000 0.852 275 N CB -0.297 38.261 38.487 0.118 0.000 0.998 275 N HN 0.141 nan 8.380 nan 0.000 0.424 276 F N 2.325 122.313 119.950 0.063 0.000 2.091 276 F HA -0.223 4.304 4.527 -0.001 0.000 0.299 276 F C 2.371 178.192 175.800 0.034 0.000 1.103 276 F CA 1.444 59.476 58.000 0.053 0.000 1.228 276 F CB -0.447 38.594 39.000 0.068 0.000 0.984 276 F HN -0.055 nan 8.300 nan 0.000 0.477 277 T N -0.126 114.587 114.554 0.266 0.000 2.777 277 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 277 T C 2.132 176.850 174.700 0.030 0.000 1.040 277 T CA 1.431 63.630 62.100 0.165 0.000 1.141 277 T CB -0.534 68.422 68.868 0.147 0.000 0.868 277 T HN 0.115 nan 8.240 nan 0.000 0.444 278 V N 1.453 121.380 119.914 0.022 0.000 2.287 278 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 278 V C 2.867 178.924 176.094 -0.061 0.000 1.053 278 V CA 2.079 64.372 62.300 -0.012 0.000 1.027 278 V CB -1.404 30.420 31.823 0.002 0.000 0.646 278 V HN 0.589 nan 8.190 nan 0.000 0.447 279 G N -0.410 108.327 108.800 -0.105 0.000 2.476 279 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.218 279 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.218 279 G C 1.639 176.415 174.900 -0.207 0.000 1.164 279 G CA 1.323 46.320 45.100 -0.171 0.000 0.768 279 G HN 0.513 nan 8.290 nan 0.000 0.560 280 K N 0.562 120.798 120.400 -0.274 0.000 2.032 280 K HA -0.121 4.199 4.320 -0.000 0.000 0.209 280 K C 2.511 179.055 176.600 -0.093 0.000 1.048 280 K CA 1.573 57.737 56.287 -0.205 0.000 0.927 280 K CB -0.193 32.225 32.500 -0.137 0.000 0.712 280 K HN 0.260 nan 8.250 nan 0.000 0.441 281 K N 0.525 120.887 120.400 -0.062 0.000 2.057 281 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 281 K C 2.178 178.749 176.600 -0.048 0.000 1.049 281 K CA 1.418 57.682 56.287 -0.038 0.000 0.931 281 K CB -0.139 32.347 32.500 -0.023 0.000 0.714 281 K HN 0.146 nan 8.250 nan 0.000 0.440 282 L N 0.129 121.315 121.223 -0.062 0.000 2.046 282 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 282 L C 2.543 179.377 176.870 -0.060 0.000 1.077 282 L CA 1.446 56.248 54.840 -0.063 0.000 0.747 282 L CB -0.780 41.236 42.059 -0.071 0.000 0.896 282 L HN 0.370 nan 8.230 nan 0.000 0.432 283 G N -0.534 108.223 108.800 -0.072 0.000 2.422 283 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.218 283 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.218 283 G C 1.646 176.520 174.900 -0.044 0.000 1.140 283 G CA 0.281 45.343 45.100 -0.063 0.000 0.775 283 G HN 0.164 nan 8.290 nan 0.000 0.545 284 K N 0.120 120.496 120.400 -0.040 0.000 2.432 284 K HA 0.104 4.424 4.320 -0.000 0.000 0.196 284 K C 1.676 178.262 176.600 -0.023 0.000 1.038 284 K CA 0.753 57.025 56.287 -0.026 0.000 0.986 284 K CB 0.395 32.883 32.500 -0.019 0.000 0.782 284 K HN 0.422 nan 8.250 nan 0.000 0.485 285 G N 0.839 109.622 108.800 -0.029 0.000 2.205 285 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.180 285 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.180 285 G C 0.016 174.899 174.900 -0.028 0.000 1.004 285 G CA -0.497 44.587 45.100 -0.027 0.000 0.670 285 G HN 0.124 nan 8.290 nan 0.000 0.496 286 L N 2.784 123.990 121.223 -0.029 0.000 2.416 286 L HA 0.357 4.697 4.340 -0.000 0.000 0.272 286 L C -1.262 175.585 176.870 -0.038 0.000 1.161 286 L CA -1.646 53.176 54.840 -0.029 0.000 0.845 286 L CB 0.575 42.619 42.059 -0.025 0.000 1.119 286 L HN 0.034 nan 8.230 nan 0.000 0.464 287 P HA 0.033 nan 4.420 nan 0.000 0.274 287 P C 0.695 177.961 177.300 -0.057 0.000 1.231 287 P CA -0.448 62.622 63.100 -0.049 0.000 0.790 287 P CB 1.312 32.986 31.700 -0.042 0.000 0.951 288 I N 1.997 122.519 120.570 -0.079 0.000 2.335 288 I HA -0.256 3.914 4.170 -0.000 0.000 0.251 288 I C 1.790 177.862 176.117 -0.076 0.000 1.129 288 I CA 1.811 63.054 61.300 -0.094 0.000 1.402 288 I CB -0.711 37.196 38.000 -0.155 0.000 1.069 288 I HN 0.303 nan 8.210 nan 0.000 0.424 289 E N 0.278 120.438 120.200 -0.067 0.000 2.110 289 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 289 E C 2.142 178.725 176.600 -0.028 0.000 0.988 289 E CA 1.145 57.517 56.400 -0.046 0.000 0.804 289 E CB -0.233 29.443 29.700 -0.039 0.000 0.745 289 E HN 0.437 nan 8.360 nan 0.000 0.458 290 E N 0.159 120.343 120.200 -0.026 0.000 2.106 290 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 290 E C 1.999 178.592 176.600 -0.012 0.000 0.984 290 E CA 0.558 56.949 56.400 -0.016 0.000 0.806 290 E CB -0.072 29.619 29.700 -0.016 0.000 0.750 290 E HN 0.243 nan 8.360 nan 0.000 0.458 291 I N 1.481 122.040 120.570 -0.019 0.000 2.163 291 I HA -0.249 3.921 4.170 -0.000 0.000 0.243 291 I C 2.288 178.406 176.117 0.001 0.000 1.085 291 I CA 1.321 62.614 61.300 -0.011 0.000 1.347 291 I CB -1.321 36.665 38.000 -0.022 0.000 1.044 291 I HN 0.117 nan 8.210 nan 0.000 0.408 292 Q N 0.365 120.161 119.800 -0.006 0.000 2.230 292 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 292 Q C 2.293 178.308 176.000 0.025 0.000 0.963 292 Q CA 1.036 56.845 55.803 0.010 0.000 0.866 292 Q CB -0.246 28.489 28.738 -0.004 0.000 0.931 292 Q HN 0.652 nan 8.270 nan 0.000 0.452 293 R N 0.567 121.076 120.500 0.015 0.000 2.153 293 R HA -0.025 4.315 4.340 -0.000 0.000 0.218 293 R C 1.666 177.980 176.300 0.023 0.000 1.072 293 R CA 1.659 57.771 56.100 0.020 0.000 0.990 293 R CB -0.325 29.982 30.300 0.011 0.000 0.889 293 R HN 0.102 nan 8.270 nan 0.000 0.452 294 T N -2.396 112.169 114.554 0.020 0.000 3.122 294 T HA 0.233 4.583 4.350 -0.000 0.000 0.250 294 T C 0.298 175.017 174.700 0.031 0.000 1.067 294 T CA -0.489 61.624 62.100 0.020 0.000 0.966 294 T CB 0.314 69.190 68.868 0.013 0.000 1.002 294 T HN 0.025 nan 8.240 nan 0.000 0.542 295 S N 1.863 117.589 115.700 0.043 0.000 2.523 295 S HA 0.318 4.788 4.470 -0.000 0.000 0.275 295 S C 0.924 175.573 174.600 0.082 0.000 1.281 295 S CA -0.816 57.420 58.200 0.061 0.000 1.050 295 S CB 0.938 64.178 63.200 0.067 0.000 0.937 295 S HN 0.636 nan 8.310 nan 0.000 0.492 296 K N 1.504 121.959 120.400 0.091 0.000 2.358 296 K HA 0.533 4.853 4.320 -0.000 0.000 0.200 296 K C 0.170 176.892 176.600 0.203 0.000 1.030 296 K CA -0.186 56.170 56.287 0.116 0.000 1.097 296 K CB 0.613 33.151 32.500 0.064 0.000 0.862 296 K HN 0.409 nan 8.250 nan 0.000 0.534 297 A N 0.789 123.717 122.820 0.179 0.000 2.498 297 A HA 0.544 4.864 4.320 -0.000 0.000 0.298 297 A C -0.755 176.923 177.584 0.157 0.000 1.075 297 A CA -0.764 51.394 52.037 0.201 0.000 0.714 297 A CB 1.525 20.630 19.000 0.174 0.000 1.299 297 A HN -0.043 nan 8.150 nan 0.000 0.407 298 V N 1.060 121.064 119.914 0.151 0.000 2.572 298 V HA 0.411 4.531 4.120 -0.000 0.000 0.291 298 V C 0.837 176.990 176.094 0.099 0.000 1.039 298 V CA 0.640 63.017 62.300 0.128 0.000 1.055 298 V CB 1.059 32.959 31.823 0.129 0.000 0.969 298 V HN 1.200 nan 8.190 nan 0.000 0.482 299 A N 4.108 126.977 122.820 0.082 0.000 2.511 299 A HA 0.434 4.754 4.320 -0.000 0.000 0.340 299 A C 1.006 178.625 177.584 0.058 0.000 1.396 299 A CA -0.483 51.598 52.037 0.072 0.000 0.887 299 A CB 0.120 19.159 19.000 0.065 0.000 1.145 299 A HN 0.845 nan 8.150 nan 0.000 0.497 300 E N 2.099 122.332 120.200 0.055 0.000 2.209 300 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 300 E C 2.012 178.644 176.600 0.052 0.000 0.993 300 E CA 1.436 57.859 56.400 0.039 0.000 0.819 300 E CB -0.002 29.723 29.700 0.041 0.000 0.745 300 E HN 0.830 nan 8.360 nan 0.000 0.477 301 G N 1.089 109.928 108.800 0.066 0.000 2.432 301 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.219 301 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.219 301 G C 1.824 176.787 174.900 0.105 0.000 1.135 301 G CA 0.792 45.939 45.100 0.080 0.000 0.767 301 G HN 0.159 nan 8.290 nan 0.000 0.550 302 V N 1.423 121.391 119.914 0.091 0.000 2.237 302 V HA -0.134 3.986 4.120 -0.000 0.000 0.245 302 V C 3.297 179.515 176.094 0.207 0.000 1.046 302 V CA 2.180 64.543 62.300 0.104 0.000 1.007 302 V CB -0.887 30.951 31.823 0.024 0.000 0.638 302 V HN 0.457 nan 8.190 nan 0.000 0.445 303 A N -0.941 121.963 122.820 0.140 0.000 1.968 303 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 303 A C 2.342 179.999 177.584 0.122 0.000 1.169 303 A CA 2.119 54.249 52.037 0.155 0.000 0.638 303 A CB -0.770 18.256 19.000 0.043 0.000 0.812 303 A HN 0.496 nan 8.150 nan 0.000 0.446 304 T N 0.083 114.688 114.554 0.085 0.000 2.867 304 T HA 0.054 4.404 4.350 -0.000 0.000 0.268 304 T C 2.189 176.911 174.700 0.037 0.000 1.057 304 T CA 1.188 63.310 62.100 0.037 0.000 1.136 304 T CB -0.316 68.577 68.868 0.041 0.000 0.874 304 T HN 0.573 nan 8.240 nan 0.000 0.466 305 A N 1.474 124.367 122.820 0.121 0.000 1.940 305 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 305 A C 2.005 179.581 177.584 -0.013 0.000 1.176 305 A CA 2.238 54.355 52.037 0.134 0.000 0.631 305 A CB -0.792 18.394 19.000 0.310 0.000 0.814 305 A HN 0.585 nan 8.150 nan 0.000 0.446 306 D N -0.600 119.704 120.400 -0.159 0.000 2.075 306 D HA -0.105 4.535 4.640 -0.000 0.000 0.196 306 D C -0.523 175.607 176.300 -0.282 0.000 0.985 306 D CA 1.647 55.419 54.000 -0.380 0.000 0.834 306 D CB -0.477 40.004 40.800 -0.532 0.000 0.987 306 D HN 0.306 nan 8.370 nan 0.000 0.452 307 P HA -0.131 nan 4.420 nan 0.000 0.218 307 P C 1.802 178.995 177.300 -0.178 0.000 1.148 307 P CA 0.750 63.747 63.100 -0.171 0.000 0.822 307 P CB -0.082 31.529 31.700 -0.148 0.000 0.784 308 L N -0.573 120.559 121.223 -0.152 0.000 2.017 308 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 308 L C 2.482 179.265 176.870 -0.145 0.000 1.073 308 L CA 1.929 56.699 54.840 -0.116 0.000 0.745 308 L CB -1.381 40.648 42.059 -0.051 0.000 0.894 308 L HN -0.124 nan 8.230 nan 0.000 0.432 309 M N -0.741 118.718 119.600 -0.235 0.000 2.117 309 M HA -0.229 4.251 4.480 -0.000 0.000 0.262 309 M C 2.371 178.525 176.300 -0.243 0.000 1.065 309 M CA 1.755 56.876 55.300 -0.298 0.000 1.114 309 M CB -0.454 31.750 32.600 -0.660 0.000 1.361 309 M HN 0.325 nan 8.290 nan 0.000 0.408 310 R N -0.150 120.205 120.500 -0.241 0.000 2.092 310 R HA -0.137 4.203 4.340 -0.000 0.000 0.231 310 R C 2.211 178.433 176.300 -0.130 0.000 1.119 310 R CA 1.271 57.266 56.100 -0.175 0.000 0.970 310 R CB -0.546 29.657 30.300 -0.161 0.000 0.864 310 R HN 0.332 nan 8.270 nan 0.000 0.440 311 L N 0.674 121.820 121.223 -0.128 0.000 2.056 311 L HA -0.016 4.324 4.340 -0.000 0.000 0.207 311 L C 2.214 179.042 176.870 -0.070 0.000 1.078 311 L CA 1.748 56.529 54.840 -0.097 0.000 0.749 311 L CB -0.559 41.435 42.059 -0.109 0.000 0.901 311 L HN 0.096 nan 8.230 nan 0.000 0.433 312 A N -0.530 122.245 122.820 -0.075 0.000 1.902 312 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 312 A C 2.439 179.983 177.584 -0.067 0.000 1.181 312 A CA 1.917 53.919 52.037 -0.059 0.000 0.623 312 A CB -0.601 18.364 19.000 -0.059 0.000 0.818 312 A HN 0.489 nan 8.150 nan 0.000 0.443 313 K N -0.523 119.825 120.400 -0.087 0.000 2.009 313 K HA -0.253 4.067 4.320 -0.000 0.000 0.210 313 K C 2.323 178.884 176.600 -0.065 0.000 1.049 313 K CA 1.840 58.077 56.287 -0.083 0.000 0.929 313 K CB -0.262 32.180 32.500 -0.097 0.000 0.714 313 K HN 0.589 nan 8.250 nan 0.000 0.440 314 Q N 0.265 120.027 119.800 -0.064 0.000 2.152 314 Q HA -0.159 4.181 4.340 -0.000 0.000 0.206 314 Q C 1.729 177.705 176.000 -0.040 0.000 0.985 314 Q CA 1.632 57.404 55.803 -0.051 0.000 0.863 314 Q CB 0.018 28.723 28.738 -0.055 0.000 0.904 314 Q HN 0.406 nan 8.270 nan 0.000 0.422 315 L N 0.086 121.286 121.223 -0.038 0.000 2.592 315 L HA 0.058 4.398 4.340 -0.000 0.000 0.227 315 L C -0.025 176.827 176.870 -0.030 0.000 1.127 315 L CA -0.094 54.729 54.840 -0.028 0.000 0.884 315 L CB 0.335 42.383 42.059 -0.018 0.000 1.065 315 L HN 0.067 nan 8.230 nan 0.000 0.457 316 K N -0.356 120.021 120.400 -0.038 0.000 3.071 316 K HA -0.142 4.178 4.320 -0.000 0.000 0.265 316 K C -0.529 176.049 176.600 -0.036 0.000 1.060 316 K CA 0.303 56.566 56.287 -0.039 0.000 0.767 316 K CB -2.667 29.813 32.500 -0.033 0.000 1.241 316 K HN 0.118 nan 8.250 nan 0.000 0.486 317 V N 1.046 120.938 119.914 -0.037 0.000 2.383 317 V HA 0.170 4.290 4.120 -0.000 0.000 0.275 317 V C 0.889 176.959 176.094 -0.039 0.000 1.036 317 V CA -0.599 61.682 62.300 -0.031 0.000 0.889 317 V CB 1.357 33.167 31.823 -0.022 0.000 0.985 317 V HN 0.119 nan 8.190 nan 0.000 0.459 318 K N 5.382 125.760 120.400 -0.036 0.000 2.322 318 K HA 0.524 4.844 4.320 -0.000 0.000 0.283 318 K C -0.298 176.290 176.600 -0.019 0.000 1.042 318 K CA 0.187 56.450 56.287 -0.040 0.000 0.958 318 K CB 0.628 33.106 32.500 -0.036 0.000 0.984 318 K HN 0.612 nan 8.250 nan 0.000 0.473 319 M N 5.387 124.981 119.600 -0.010 0.000 2.067 319 M HA 0.164 4.644 4.480 -0.000 0.000 0.214 319 M C -1.959 174.376 176.300 0.059 0.000 0.891 319 M CA -1.687 53.626 55.300 0.021 0.000 0.697 319 M CB 1.501 34.114 32.600 0.021 0.000 1.616 319 M HN 0.311 nan 8.290 nan 0.000 0.354 320 P HA -0.148 nan 4.420 nan 0.000 0.215 320 P C 1.314 178.682 177.300 0.114 0.000 1.153 320 P CA 1.438 64.589 63.100 0.086 0.000 0.853 320 P CB 0.347 32.079 31.700 0.053 0.000 0.788 321 L N -0.805 120.465 121.223 0.079 0.000 2.027 321 L HA -0.152 4.188 4.340 -0.000 0.000 0.206 321 L C 2.934 179.854 176.870 0.084 0.000 1.074 321 L CA 1.615 56.497 54.840 0.070 0.000 0.745 321 L CB -1.278 40.812 42.059 0.051 0.000 0.898 321 L HN 0.005 nan 8.230 nan 0.000 0.433 322 C N -1.239 118.113 119.300 0.088 0.000 2.422 322 C HA -0.203 4.257 4.460 -0.000 0.000 0.279 322 C C 2.770 177.847 174.990 0.146 0.000 1.305 322 C CA 0.940 60.017 59.018 0.098 0.000 1.757 322 C CB -1.188 26.595 27.740 0.073 0.000 1.962 322 C HN 0.575 nan 8.230 nan 0.000 0.499 323 H N 0.900 120.007 119.070 0.063 0.000 2.293 323 H HA -0.112 4.444 4.556 0.000 0.000 0.300 323 H C 2.308 177.727 175.328 0.151 0.000 1.082 323 H CA 1.810 57.915 56.048 0.095 0.000 1.308 323 H CB -0.214 29.578 29.762 0.051 0.000 1.375 323 H HN 0.317 nan 8.280 nan 0.000 0.495 324 Q N 0.122 119.924 119.800 0.002 0.000 2.124 324 Q HA -0.089 4.251 4.340 -0.000 0.000 0.202 324 Q C 2.723 178.700 176.000 -0.037 0.000 0.977 324 Q CA 1.402 57.165 55.803 -0.065 0.000 0.850 324 Q CB -0.186 28.558 28.738 0.010 0.000 0.901 324 Q HN 0.588 nan 8.270 nan 0.000 0.429 325 I N -0.203 120.383 120.570 0.026 0.000 2.252 325 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 325 I C 2.321 178.481 176.117 0.071 0.000 1.102 325 I CA 1.154 62.477 61.300 0.039 0.000 1.385 325 I CB -0.431 37.605 38.000 0.060 0.000 1.064 325 I HN 0.119 nan 8.210 nan 0.000 0.414 326 Y N 2.111 122.408 120.300 -0.005 0.000 2.165 326 Y HA -0.275 4.275 4.550 0.000 0.000 0.286 326 Y C 2.448 178.371 175.900 0.038 0.000 1.155 326 Y CA 1.664 59.787 58.100 0.039 0.000 1.164 326 Y CB -0.218 38.221 38.460 -0.036 0.000 0.978 326 Y HN 0.144 nan 8.280 nan 0.000 0.513 327 E N 0.454 120.514 120.200 -0.234 0.000 2.077 327 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 327 E C 2.345 178.818 176.600 -0.212 0.000 0.989 327 E CA 1.700 57.918 56.400 -0.303 0.000 0.800 327 E CB -0.340 29.226 29.700 -0.224 0.000 0.746 327 E HN 0.621 nan 8.360 nan 0.000 0.452 328 I N 0.686 121.175 120.570 -0.135 0.000 2.202 328 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 328 I C 2.458 178.502 176.117 -0.122 0.000 1.091 328 I CA 0.795 62.033 61.300 -0.103 0.000 1.368 328 I CB -0.202 37.757 38.000 -0.069 0.000 1.058 328 I HN -0.076 nan 8.210 nan 0.000 0.410 329 V N -0.536 119.311 119.914 -0.112 0.000 2.379 329 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 329 V C 1.901 177.796 176.094 -0.332 0.000 1.044 329 V CA 1.847 64.048 62.300 -0.165 0.000 1.036 329 V CB -0.547 31.241 31.823 -0.057 0.000 0.664 329 V HN 0.337 nan 8.190 nan 0.000 0.453 330 Y N -0.810 119.289 120.300 -0.335 0.000 2.535 330 Y HA 0.251 4.802 4.550 0.000 0.000 0.266 330 Y C 1.829 177.556 175.900 -0.289 0.000 1.088 330 Y CA 0.280 58.176 58.100 -0.340 0.000 1.285 330 Y CB 0.516 38.650 38.460 -0.545 0.000 1.166 330 Y HN 0.041 nan 8.280 nan 0.000 0.525 331 K N 0.153 120.442 120.400 -0.185 0.000 2.537 331 K HA 0.183 4.503 4.320 -0.000 0.000 0.206 331 K C -0.044 176.499 176.600 -0.095 0.000 1.041 331 K CA -0.092 56.120 56.287 -0.126 0.000 1.090 331 K CB 0.929 33.344 32.500 -0.142 0.000 0.833 331 K HN -0.069 nan 8.250 nan 0.000 0.493 332 K N 0.790 121.129 120.400 -0.101 0.000 3.193 332 K HA -0.205 4.115 4.320 -0.000 0.000 0.294 332 K C -0.085 176.475 176.600 -0.066 0.000 1.185 332 K CA 0.673 56.914 56.287 -0.077 0.000 0.866 332 K CB -1.552 30.914 32.500 -0.056 0.000 1.227 332 K HN 0.265 nan 8.250 nan 0.000 0.467 333 K N 1.243 121.596 120.400 -0.077 0.000 2.416 333 K HA 0.054 4.374 4.320 -0.000 0.000 0.283 333 K C -0.159 176.410 176.600 -0.052 0.000 1.037 333 K CA 0.000 56.251 56.287 -0.061 0.000 0.995 333 K CB 0.253 32.709 32.500 -0.072 0.000 0.938 333 K HN 0.280 nan 8.250 nan 0.000 0.475 334 N N 5.104 123.781 118.700 -0.038 0.000 2.411 334 N HA -0.030 4.710 4.740 -0.000 0.000 0.265 334 N C -1.900 173.591 175.510 -0.032 0.000 1.266 334 N CA -1.266 51.765 53.050 -0.032 0.000 0.889 334 N CB 0.866 39.339 38.487 -0.022 0.000 1.069 334 N HN 0.386 nan 8.380 nan 0.000 0.476 335 P HA -0.214 nan 4.420 nan 0.000 0.216 335 P C 0.709 177.995 177.300 -0.022 0.000 1.150 335 P CA 1.437 64.517 63.100 -0.033 0.000 0.843 335 P CB 0.185 31.863 31.700 -0.038 0.000 0.787 336 R N -0.618 119.871 120.500 -0.018 0.000 2.096 336 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 336 R C 1.799 178.095 176.300 -0.007 0.000 1.127 336 R CA 1.382 57.476 56.100 -0.011 0.000 0.968 336 R CB -0.886 29.409 30.300 -0.010 0.000 0.861 336 R HN 0.268 nan 8.270 nan 0.000 0.440 337 D N 0.849 121.244 120.400 -0.009 0.000 2.117 337 D HA -0.104 4.536 4.640 -0.000 0.000 0.197 337 D C 1.869 178.168 176.300 -0.001 0.000 0.987 337 D CA 1.406 55.404 54.000 -0.004 0.000 0.829 337 D CB -0.221 40.575 40.800 -0.007 0.000 0.961 337 D HN 0.206 nan 8.370 nan 0.000 0.460 338 A N 1.220 124.035 122.820 -0.009 0.000 1.908 338 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 338 A C 2.292 179.879 177.584 0.006 0.000 1.181 338 A CA 0.887 52.921 52.037 -0.006 0.000 0.627 338 A CB -0.826 18.163 19.000 -0.020 0.000 0.818 338 A HN 0.250 nan 8.150 nan 0.000 0.445 339 L N -0.862 120.362 121.223 0.002 0.000 2.017 339 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 339 L C 2.961 179.838 176.870 0.011 0.000 1.073 339 L CA 1.528 56.371 54.840 0.006 0.000 0.745 339 L CB -0.568 41.492 42.059 0.001 0.000 0.894 339 L HN 0.453 nan 8.230 nan 0.000 0.432 340 A N -0.267 122.559 122.820 0.009 0.000 1.883 340 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 340 A C 1.841 179.436 177.584 0.017 0.000 1.186 340 A CA 2.055 54.099 52.037 0.012 0.000 0.624 340 A CB -0.637 18.369 19.000 0.009 0.000 0.822 340 A HN 0.475 nan 8.150 nan 0.000 0.444 341 D N -0.081 120.332 120.400 0.022 0.000 2.117 341 D HA -0.105 4.535 4.640 -0.000 0.000 0.197 341 D C 1.969 178.291 176.300 0.037 0.000 0.987 341 D CA 0.795 54.815 54.000 0.032 0.000 0.829 341 D CB -0.355 40.470 40.800 0.042 0.000 0.961 341 D HN 0.416 nan 8.370 nan 0.000 0.460 342 L N 0.256 121.500 121.223 0.036 0.000 2.012 342 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 342 L C 2.087 178.974 176.870 0.028 0.000 1.073 342 L CA 0.893 55.755 54.840 0.036 0.000 0.748 342 L CB -0.191 41.887 42.059 0.033 0.000 0.891 342 L HN 0.055 nan 8.230 nan 0.000 0.431 343 L N -0.669 120.567 121.223 0.022 0.000 2.612 343 L HA 0.006 4.346 4.340 -0.000 0.000 0.230 343 L C 1.902 178.782 176.870 0.016 0.000 1.140 343 L CA 0.132 54.983 54.840 0.018 0.000 0.896 343 L CB -0.204 41.864 42.059 0.015 0.000 1.065 343 L HN 0.274 nan 8.230 nan 0.000 0.447 344 S N -1.854 113.857 115.700 0.018 0.000 2.634 344 S HA -0.055 4.415 4.470 -0.000 0.000 0.221 344 S C 1.745 176.354 174.600 0.014 0.000 0.952 344 S CA -0.041 58.169 58.200 0.016 0.000 0.930 344 S CB -0.762 62.448 63.200 0.017 0.000 0.780 344 S HN 0.582 nan 8.310 nan 0.000 0.498 345 C N -0.058 119.251 119.300 0.015 0.000 2.481 345 C HA 0.582 5.042 4.460 -0.000 0.000 0.275 345 C C 1.659 176.655 174.990 0.010 0.000 1.419 345 C CA -0.511 58.514 59.018 0.013 0.000 1.773 345 C CB -1.954 25.794 27.740 0.014 0.000 1.862 345 C HN 0.971 nan 8.230 nan 0.000 0.530 346 G N 0.586 109.392 108.800 0.010 0.000 2.829 346 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.628 346 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.628 346 G C -0.731 174.174 174.900 0.008 0.000 1.412 346 G CA -0.396 44.709 45.100 0.008 0.000 0.864 346 G HN 0.681 nan 8.290 nan 0.000 0.544 347 L N 1.432 122.659 121.223 0.006 0.000 2.410 347 L HA 0.396 4.736 4.340 -0.000 0.000 0.273 347 L C 1.157 178.031 176.870 0.005 0.000 1.152 347 L CA 0.008 54.852 54.840 0.006 0.000 0.855 347 L CB 0.602 42.664 42.059 0.005 0.000 1.129 347 L HN 0.747 nan 8.230 nan 0.000 0.463 348 Q N 1.556 121.359 119.800 0.006 0.000 2.587 348 Q HA 0.476 4.816 4.340 -0.000 0.000 0.293 348 Q C -1.563 174.440 176.000 0.004 0.000 1.083 348 Q CA -1.229 54.577 55.803 0.005 0.000 0.792 348 Q CB 1.646 30.388 28.738 0.005 0.000 1.484 348 Q HN 0.367 nan 8.270 nan 0.000 0.446 349 D N 1.074 121.476 120.400 0.002 0.000 2.362 349 D HA -0.019 4.621 4.640 -0.000 0.000 0.242 349 D C 0.738 177.039 176.300 0.002 0.000 1.132 349 D CA 0.032 54.032 54.000 0.001 0.000 0.907 349 D CB 1.015 41.814 40.800 -0.001 0.000 1.195 349 D HN 0.733 nan 8.370 nan 0.000 0.429 350 E N 0.913 121.113 120.200 -0.000 0.000 2.051 350 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 350 E C 1.058 177.658 176.600 -0.000 0.000 0.991 350 E CA 1.336 57.736 56.400 0.000 0.000 0.799 350 E CB -0.172 29.526 29.700 -0.004 0.000 0.748 350 E HN 0.722 nan 8.360 nan 0.000 0.449 351 G N 0.106 108.904 108.800 -0.005 0.000 2.147 351 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.244 351 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.244 351 G C -0.263 174.633 174.900 -0.006 0.000 1.005 351 G CA 0.355 45.453 45.100 -0.005 0.000 0.713 351 G HN 0.176 nan 8.290 nan 0.000 0.515 352 L N 1.923 123.139 121.223 -0.013 0.000 2.371 352 L HA 0.522 4.862 4.340 -0.000 0.000 0.272 352 L C -0.733 176.115 176.870 -0.036 0.000 1.124 352 L CA -1.709 53.120 54.840 -0.019 0.000 0.816 352 L CB 0.262 42.301 42.059 -0.033 0.000 1.129 352 L HN 0.115 nan 8.230 nan 0.000 0.448 353 P HA 0.285 nan 4.420 nan 0.000 0.274 353 P C -2.602 174.641 177.300 -0.095 0.000 1.231 353 P CA -1.142 61.927 63.100 -0.052 0.000 0.790 353 P CB -0.331 31.345 31.700 -0.040 0.000 0.951 354 P HA 0.144 nan 4.420 nan 0.000 0.269 354 P C 0.566 177.712 177.300 -0.256 0.000 1.215 354 P CA -0.113 62.894 63.100 -0.154 0.000 0.780 354 P CB 0.918 32.566 31.700 -0.087 0.000 0.898 355 L N 0.042 120.958 121.223 -0.512 0.000 2.354 355 L HA 0.161 4.501 4.340 -0.000 0.000 0.212 355 L C 0.433 176.845 176.870 -0.763 0.000 1.091 355 L CA 0.641 55.007 54.840 -0.791 0.000 0.828 355 L CB -0.277 40.988 42.059 -1.323 0.000 0.973 355 L HN 0.273 nan 8.230 nan 0.000 0.461 356 F N -1.324 118.614 119.950 -0.019 0.000 2.650 356 F HA 0.543 5.070 4.527 -0.000 0.000 0.320 356 F C 0.103 175.896 175.800 -0.012 0.000 1.091 356 F CA -1.463 56.529 58.000 -0.014 0.000 0.962 356 F CB 0.666 39.657 39.000 -0.016 0.000 1.363 356 F HN -0.397 nan 8.300 nan 0.000 0.482 357 K N 0.000 120.518 120.400 0.197 0.000 2.780 357 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 357 K CA 0.000 56.350 56.287 0.105 0.000 0.838 357 K CB 0.000 32.541 32.500 0.069 0.000 1.064 357 K HN 0.000 nan 8.250 nan 0.000 0.543