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 1hkv_1_A DATA FIRST_RESID 2 DATA SEQUENCE NELLHLAPNV WPRNTTRDEV GVVCIAGIPL TQLAQEYGTP LFVIDEDDFR DATA SEQUENCE SRCRETAAAF GSGANVHYAA KAFLCSEVAR WISEEGLCLD VCTGGELAVA DATA SEQUENCE LHASFPPERI TLHGNNKSVS ELTAAVKAGV GHIVVDSMTE IERLDAIAGE DATA SEQUENCE AGIVQDVLVR LTVGVEAHTH EFISTAHEDQ KFGLSVASGA AMAAVRRVFA DATA SEQUENCE TDHLRLVGLH SHIGSQIFDV DGFELAAHRV IGLLRDVVGE FGPEKTAQIA DATA SEQUENCE TVDLGGGLGI SYLPSDDPPP IAELAAKLGT IVSDESTAVG LPTPKLVVEP DATA SEQUENCE GRAIAGPGTI TLYEVGTVKD VDVSATAHRR YVSVDGGMSD NIRTALYGAQ DATA SEQUENCE YDVRLVSRVS DAPPVPARLV GKHCESGDII VRDTWVPDDI RPGDLVAVAA DATA SEQUENCE TGAYCYSLSS RYNMVGRPAV VAVHAGNARL VLRRETVDDL LSLEVR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.506 175.510 -0.007 0.000 1.280 2 N CA 0.000 53.047 53.050 -0.004 0.000 0.885 2 N CB 0.000 38.485 38.487 -0.003 0.000 1.341 3 E N -0.217 119.980 120.200 -0.005 0.000 2.652 3 E HA 0.158 4.508 4.350 0.000 0.000 0.197 3 E C 0.325 176.931 176.600 0.010 0.000 0.936 3 E CA -0.057 56.333 56.400 -0.016 0.000 1.638 3 E CB 0.796 30.462 29.700 -0.056 0.000 1.884 3 E HN 0.046 nan 8.360 nan 0.000 1.005 4 L N 1.710 122.949 121.223 0.025 0.000 2.645 4 L HA 0.207 4.547 4.340 0.000 0.000 0.234 4 L C 1.530 178.423 176.870 0.038 0.000 1.165 4 L CA 0.425 55.299 54.840 0.058 0.000 0.944 4 L CB -0.010 42.097 42.059 0.079 0.000 1.149 4 L HN 0.139 nan 8.230 nan 0.000 0.446 5 L N -1.610 119.631 121.223 0.030 0.000 2.357 5 L HA 0.113 4.453 4.340 0.000 0.000 0.211 5 L C 1.279 178.141 176.870 -0.014 0.000 1.075 5 L CA 0.447 55.285 54.840 -0.003 0.000 0.830 5 L CB -0.233 41.829 42.059 0.004 0.000 0.996 5 L HN 0.230 nan 8.230 nan 0.000 0.467 6 H N 0.901 119.939 119.070 -0.055 0.000 2.803 6 H HA 0.171 4.727 4.556 0.000 0.000 0.330 6 H C -1.109 174.170 175.328 -0.082 0.000 1.057 6 H CA -0.224 55.791 56.048 -0.056 0.000 1.458 6 H CB 0.895 30.644 29.762 -0.021 0.000 1.470 6 H HN 0.042 nan 8.280 nan 0.000 0.560 7 L N 5.301 126.145 121.223 -0.633 0.000 2.301 7 L HA 0.277 4.617 4.340 0.000 0.000 0.278 7 L C 0.101 176.638 176.870 -0.555 0.000 1.022 7 L CA -0.263 54.202 54.840 -0.625 0.000 0.854 7 L CB 0.769 42.390 42.059 -0.731 0.000 1.226 7 L HN 0.711 nan 8.230 nan 0.000 0.429 8 A N 6.851 129.563 122.820 -0.180 0.000 2.522 8 A HA 0.370 4.690 4.320 0.000 0.000 0.256 8 A C -1.306 176.354 177.584 0.127 0.000 1.086 8 A CA -0.681 51.356 52.037 0.001 0.000 0.763 8 A CB -0.214 18.927 19.000 0.235 0.000 1.024 8 A HN 0.643 nan 8.150 nan 0.000 0.502 9 P HA -0.180 nan 4.420 nan 0.000 0.220 9 P C 0.859 178.215 177.300 0.093 0.000 1.148 9 P CA 1.285 64.435 63.100 0.083 0.000 0.803 9 P CB -0.070 31.661 31.700 0.053 0.000 0.782 10 N N 0.014 118.762 118.700 0.080 0.000 2.550 10 N HA -0.052 4.688 4.740 0.000 0.000 0.186 10 N C 1.315 176.832 175.510 0.012 0.000 1.110 10 N CA 0.732 53.804 53.050 0.037 0.000 0.912 10 N CB -0.944 37.553 38.487 0.018 0.000 0.968 10 N HN 0.109 nan 8.380 nan 0.000 0.448 11 V N -1.163 118.781 119.914 0.049 0.000 2.806 11 V HA 0.186 4.306 4.120 0.000 0.000 0.239 11 V C 0.362 176.331 176.094 -0.209 0.000 1.113 11 V CA 0.104 62.359 62.300 -0.075 0.000 1.137 11 V CB -0.211 31.594 31.823 -0.030 0.000 0.865 11 V HN 0.111 nan 8.190 nan 0.000 0.482 12 W N 0.370 121.668 121.300 -0.004 0.000 2.303 12 W HA 0.458 5.118 4.660 0.000 0.000 0.334 12 W C -2.166 174.353 176.519 0.001 0.000 1.197 12 W CA -2.366 54.980 57.345 0.002 0.000 1.262 12 W CB -0.701 28.751 29.460 -0.014 0.000 1.153 12 W HN -0.031 nan 8.180 nan 0.000 0.596 13 P HA -0.057 nan 4.420 nan 0.000 0.267 13 P C 0.962 178.333 177.300 0.117 0.000 1.195 13 P CA 0.237 63.416 63.100 0.131 0.000 0.773 13 P CB 0.605 32.389 31.700 0.140 0.000 0.837 14 R N 1.771 122.315 120.500 0.073 0.000 2.105 14 R HA -0.111 4.229 4.340 0.000 0.000 0.239 14 R C 0.404 176.728 176.300 0.039 0.000 1.135 14 R CA 1.309 57.438 56.100 0.050 0.000 0.967 14 R CB -0.445 29.874 30.300 0.031 0.000 0.861 14 R HN 0.544 nan 8.270 nan 0.000 0.442 15 N N 1.481 120.203 118.700 0.036 0.000 2.758 15 N HA 0.010 4.750 4.740 0.000 0.000 0.293 15 N C -0.465 175.062 175.510 0.028 0.000 1.273 15 N CA 0.162 53.221 53.050 0.015 0.000 1.022 15 N CB 0.893 39.373 38.487 -0.012 0.000 1.334 15 N HN 0.205 nan 8.380 nan 0.000 0.519 16 T N -1.364 113.217 114.554 0.045 0.000 2.837 16 T HA 0.567 4.917 4.350 0.000 0.000 0.285 16 T C 0.573 175.262 174.700 -0.019 0.000 0.984 16 T CA -0.528 61.590 62.100 0.030 0.000 1.049 16 T CB 1.860 70.770 68.868 0.069 0.000 0.947 16 T HN 0.179 nan 8.240 nan 0.000 0.472 17 T N 0.336 114.869 114.554 -0.034 0.000 2.865 17 T HA 0.647 4.997 4.350 0.000 0.000 0.294 17 T C -0.737 173.925 174.700 -0.063 0.000 1.119 17 T CA -1.276 60.796 62.100 -0.046 0.000 1.007 17 T CB 1.708 70.559 68.868 -0.028 0.000 1.225 17 T HN 0.599 nan 8.240 nan 0.000 0.515 18 R N 1.206 121.670 120.500 -0.060 0.000 2.343 18 R HA 0.333 4.673 4.340 0.000 0.000 0.320 18 R C -0.795 175.484 176.300 -0.036 0.000 0.956 18 R CA -0.647 55.418 56.100 -0.059 0.000 0.836 18 R CB 1.318 31.577 30.300 -0.067 0.000 1.151 18 R HN 0.746 nan 8.270 nan 0.000 0.450 19 D N 2.597 122.980 120.400 -0.029 0.000 2.515 19 D HA -0.131 4.509 4.640 0.000 0.000 0.230 19 D C 1.468 177.758 176.300 -0.018 0.000 1.181 19 D CA 0.529 54.518 54.000 -0.019 0.000 0.875 19 D CB 0.899 41.690 40.800 -0.015 0.000 1.213 19 D HN 0.483 nan 8.370 nan 0.000 0.478 20 E N 1.166 121.359 120.200 -0.013 0.000 2.118 20 E HA -0.189 4.161 4.350 0.000 0.000 0.195 20 E C 1.571 178.165 176.600 -0.009 0.000 0.992 20 E CA 1.302 57.696 56.400 -0.010 0.000 0.804 20 E CB -0.667 29.029 29.700 -0.007 0.000 0.741 20 E HN 0.342 nan 8.360 nan 0.000 0.458 21 V N -2.014 117.895 119.914 -0.008 0.000 3.563 21 V HA 0.446 4.566 4.120 0.000 0.000 0.299 21 V C 1.336 177.424 176.094 -0.010 0.000 1.290 21 V CA 0.255 62.551 62.300 -0.007 0.000 1.201 21 V CB -0.759 31.062 31.823 -0.004 0.000 1.045 21 V HN 0.314 nan 8.190 nan 0.000 0.425 22 G N 0.133 108.923 108.800 -0.016 0.000 2.203 22 G HA2 -0.223 3.737 3.960 0.000 0.000 0.263 22 G HA3 -0.223 3.737 3.960 0.000 0.000 0.263 22 G C 0.085 174.968 174.900 -0.027 0.000 1.012 22 G CA 0.334 45.420 45.100 -0.023 0.000 0.749 22 G HN 0.808 nan 8.290 nan 0.000 0.512 23 V N 0.793 120.694 119.914 -0.022 0.000 2.461 23 V HA 0.365 4.485 4.120 0.000 0.000 0.275 23 V C 1.239 177.313 176.094 -0.032 0.000 1.047 23 V CA -0.640 61.648 62.300 -0.020 0.000 0.955 23 V CB 1.640 33.460 31.823 -0.006 0.000 0.988 23 V HN 0.263 nan 8.190 nan 0.000 0.471 24 V N 4.730 124.615 119.914 -0.048 0.000 2.655 24 V HA 0.085 4.205 4.120 0.000 0.000 0.300 24 V C 0.338 176.417 176.094 -0.026 0.000 1.044 24 V CA 0.017 62.276 62.300 -0.069 0.000 1.095 24 V CB 0.801 32.550 31.823 -0.125 0.000 0.952 24 V HN 1.001 nan 8.190 nan 0.000 0.485 25 C N 5.761 125.048 119.300 -0.022 0.000 2.563 25 C HA 0.649 5.109 4.460 0.000 0.000 0.314 25 C C -0.105 174.896 174.990 0.018 0.000 1.199 25 C CA -0.733 58.287 59.018 0.003 0.000 1.564 25 C CB 1.012 28.750 27.740 -0.004 0.000 2.173 25 C HN 0.732 nan 8.230 nan 0.000 0.485 26 I N 2.964 123.556 120.570 0.037 0.000 2.410 26 I HA 0.456 4.626 4.170 0.000 0.000 0.286 26 I C 0.725 176.858 176.117 0.027 0.000 1.009 26 I CA -0.101 61.227 61.300 0.046 0.000 1.111 26 I CB 1.382 39.430 38.000 0.080 0.000 1.262 26 I HN 0.937 nan 8.210 nan 0.000 0.443 27 A N 4.675 127.498 122.820 0.004 0.000 2.869 27 A HA -0.078 4.242 4.320 0.000 0.000 0.280 27 A C 1.358 178.931 177.584 -0.019 0.000 1.458 27 A CA 0.987 53.007 52.037 -0.028 0.000 0.776 27 A CB -1.867 17.114 19.000 -0.033 0.000 1.028 27 A HN 1.823 nan 8.150 nan 0.000 0.547 28 G N -2.490 106.304 108.800 -0.009 0.000 2.217 28 G HA2 -0.222 3.738 3.960 0.000 0.000 0.246 28 G HA3 -0.222 3.738 3.960 0.000 0.000 0.246 28 G C 0.146 175.051 174.900 0.009 0.000 0.990 28 G CA 0.347 45.444 45.100 -0.005 0.000 0.627 28 G HN 1.533 nan 8.290 nan 0.000 0.522 29 I N 2.414 122.996 120.570 0.021 0.000 2.336 29 I HA 0.351 4.521 4.170 0.000 0.000 0.292 29 I C -2.249 173.889 176.117 0.035 0.000 0.991 29 I CA -2.447 58.874 61.300 0.035 0.000 1.227 29 I CB 1.901 39.934 38.000 0.055 0.000 1.366 29 I HN -0.147 nan 8.210 nan 0.000 0.466 30 P HA 0.091 nan 4.420 nan 0.000 0.271 30 P C 0.411 177.735 177.300 0.041 0.000 1.216 30 P CA -0.389 62.727 63.100 0.026 0.000 0.771 30 P CB 0.752 32.463 31.700 0.018 0.000 0.864 31 L N 2.405 123.652 121.223 0.039 0.000 2.201 31 L HA -0.140 4.200 4.340 0.000 0.000 0.212 31 L C 2.337 179.238 176.870 0.053 0.000 1.105 31 L CA 2.126 56.998 54.840 0.053 0.000 0.775 31 L CB -1.887 40.203 42.059 0.051 0.000 0.913 31 L HN 0.445 nan 8.230 nan 0.000 0.440 32 T N -3.613 110.965 114.554 0.040 0.000 2.720 32 T HA -0.315 4.035 4.350 0.000 0.000 0.268 32 T C 1.826 176.549 174.700 0.039 0.000 1.037 32 T CA 1.421 63.543 62.100 0.036 0.000 1.144 32 T CB -0.462 68.421 68.868 0.025 0.000 0.864 32 T HN 0.360 nan 8.240 nan 0.000 0.444 33 Q N 0.691 120.515 119.800 0.040 0.000 2.045 33 Q HA -0.101 4.239 4.340 0.000 0.000 0.206 33 Q C 2.427 178.465 176.000 0.064 0.000 0.991 33 Q CA 1.733 57.560 55.803 0.040 0.000 0.851 33 Q CB -0.393 28.370 28.738 0.042 0.000 0.911 33 Q HN 0.612 nan 8.270 nan 0.000 0.418 34 L N -0.233 121.056 121.223 0.109 0.000 2.083 34 L HA -0.174 4.166 4.340 0.000 0.000 0.209 34 L C 2.530 179.510 176.870 0.182 0.000 1.083 34 L CA 0.975 55.936 54.840 0.202 0.000 0.752 34 L CB -0.584 41.588 42.059 0.189 0.000 0.899 34 L HN 0.265 nan 8.230 nan 0.000 0.433 35 A N -0.492 122.392 122.820 0.107 0.000 1.933 35 A HA -0.226 4.094 4.320 0.000 0.000 0.218 35 A C 2.243 179.862 177.584 0.057 0.000 1.175 35 A CA 1.425 53.513 52.037 0.085 0.000 0.628 35 A CB -0.374 18.662 19.000 0.061 0.000 0.814 35 A HN 0.473 nan 8.150 nan 0.000 0.444 36 Q N -0.510 119.307 119.800 0.029 0.000 2.046 36 Q HA -0.187 4.153 4.340 0.000 0.000 0.200 36 Q C 2.034 178.002 176.000 -0.053 0.000 0.975 36 Q CA 1.663 57.463 55.803 -0.005 0.000 0.836 36 Q CB -0.207 28.524 28.738 -0.012 0.000 0.896 36 Q HN 0.769 nan 8.270 nan 0.000 0.428 37 E N -0.400 119.734 120.200 -0.110 0.000 2.051 37 E HA -0.177 4.173 4.350 0.000 0.000 0.192 37 E C 1.117 177.442 176.600 -0.459 0.000 0.991 37 E CA 1.243 57.429 56.400 -0.356 0.000 0.799 37 E CB 0.091 29.443 29.700 -0.581 0.000 0.748 37 E HN 0.437 nan 8.360 nan 0.000 0.449 38 Y N -1.056 119.262 120.300 0.030 0.000 2.453 38 Y HA 0.312 4.862 4.550 0.000 0.000 0.247 38 Y C 0.845 176.767 175.900 0.036 0.000 1.124 38 Y CA 0.049 58.171 58.100 0.036 0.000 1.243 38 Y CB 1.651 40.136 38.460 0.042 0.000 1.213 38 Y HN 0.084 nan 8.280 nan 0.000 0.523 39 G N 0.872 109.760 108.800 0.147 0.000 2.710 39 G HA2 0.039 3.999 3.960 0.000 0.000 0.668 39 G HA3 0.039 3.999 3.960 0.000 0.000 0.668 39 G C -0.459 174.497 174.900 0.094 0.000 1.320 39 G CA -0.535 44.624 45.100 0.099 0.000 0.860 39 G HN 0.351 nan 8.290 nan 0.000 0.538 40 T N -1.315 113.281 114.554 0.069 0.000 2.906 40 T HA 0.820 5.170 4.350 0.000 0.000 0.295 40 T C -2.995 171.740 174.700 0.060 0.000 1.075 40 T CA -1.382 60.747 62.100 0.049 0.000 1.005 40 T CB 2.445 71.343 68.868 0.049 0.000 1.136 40 T HN 0.577 nan 8.240 nan 0.000 0.498 41 P HA 0.548 nan 4.420 nan 0.000 0.272 41 P C -1.287 175.967 177.300 -0.078 0.000 1.230 41 P CA -0.679 62.379 63.100 -0.070 0.000 0.788 41 P CB 0.392 32.039 31.700 -0.089 0.000 0.949 42 L N 2.141 123.251 121.223 -0.188 0.000 2.431 42 L HA 0.546 4.886 4.340 0.000 0.000 0.266 42 L C -1.631 175.120 176.870 -0.198 0.000 0.978 42 L CA -0.568 54.223 54.840 -0.081 0.000 0.822 42 L CB 1.193 43.242 42.059 -0.017 0.000 1.310 42 L HN 0.133 nan 8.230 nan 0.000 0.409 43 F N 4.280 124.179 119.950 -0.085 0.000 2.410 43 F HA 0.588 5.115 4.527 0.000 0.000 0.349 43 F C -0.027 175.711 175.800 -0.103 0.000 1.117 43 F CA -0.343 57.593 58.000 -0.107 0.000 1.104 43 F CB 1.758 40.685 39.000 -0.122 0.000 1.122 43 F HN 0.116 nan 8.300 nan 0.000 0.483 44 V N 6.329 126.299 119.914 0.094 0.000 2.350 44 V HA 0.353 4.473 4.120 0.000 0.000 0.285 44 V C 0.012 176.158 176.094 0.088 0.000 1.014 44 V CA -0.697 61.640 62.300 0.062 0.000 0.831 44 V CB 1.208 33.059 31.823 0.048 0.000 1.000 44 V HN 0.507 nan 8.190 nan 0.000 0.433 45 I N 4.018 124.641 120.570 0.089 0.000 2.331 45 I HA 0.297 4.467 4.170 0.000 0.000 0.292 45 I C 0.035 176.242 176.117 0.150 0.000 0.998 45 I CA -0.224 61.159 61.300 0.140 0.000 1.267 45 I CB 1.344 39.451 38.000 0.178 0.000 1.386 45 I HN 0.523 nan 8.210 nan 0.000 0.476 46 D N 6.471 126.960 120.400 0.149 0.000 2.468 46 D HA 0.004 4.644 4.640 0.000 0.000 0.218 46 D C 1.055 177.416 176.300 0.101 0.000 1.155 46 D CA -0.123 53.941 54.000 0.108 0.000 0.924 46 D CB 0.722 41.578 40.800 0.094 0.000 1.029 46 D HN 0.644 nan 8.370 nan 0.000 0.515 47 E N 2.748 122.964 120.200 0.026 0.000 2.130 47 E HA -0.297 4.053 4.350 0.000 0.000 0.196 47 E C 0.938 177.456 176.600 -0.137 0.000 0.998 47 E CA 1.517 57.763 56.400 -0.257 0.000 0.806 47 E CB 0.117 29.526 29.700 -0.484 0.000 0.738 47 E HN 0.536 nan 8.360 nan 0.000 0.459 48 D N 0.280 120.683 120.400 0.004 0.000 2.144 48 D HA -0.200 4.440 4.640 0.000 0.000 0.200 48 D C 1.861 178.179 176.300 0.030 0.000 0.978 48 D CA 1.415 55.417 54.000 0.003 0.000 0.833 48 D CB -0.218 40.530 40.800 -0.087 0.000 0.961 48 D HN 0.233 nan 8.370 nan 0.000 0.470 49 D N -0.645 119.789 120.400 0.056 0.000 2.092 49 D HA -0.227 4.413 4.640 0.000 0.000 0.193 49 D C 1.966 178.346 176.300 0.133 0.000 0.994 49 D CA 0.819 54.869 54.000 0.082 0.000 0.828 49 D CB -0.412 40.445 40.800 0.095 0.000 0.963 49 D HN 0.341 nan 8.370 nan 0.000 0.450 50 F N 1.353 121.310 119.950 0.011 0.000 2.095 50 F HA -0.149 4.378 4.527 0.000 0.000 0.298 50 F C 2.739 178.549 175.800 0.016 0.000 1.104 50 F CA 1.443 59.478 58.000 0.057 0.000 1.232 50 F CB -0.005 39.089 39.000 0.157 0.000 0.987 50 F HN -0.143 nan 8.300 nan 0.000 0.475 51 R N -0.492 120.184 120.500 0.294 0.000 2.092 51 R HA -0.122 4.218 4.340 0.000 0.000 0.231 51 R C 2.432 178.787 176.300 0.091 0.000 1.119 51 R CA 1.377 57.575 56.100 0.163 0.000 0.970 51 R CB -0.642 29.658 30.300 0.000 0.000 0.864 51 R HN 0.205 nan 8.270 nan 0.000 0.440 52 S N 0.468 116.206 115.700 0.064 0.000 2.368 52 S HA -0.108 4.362 4.470 0.000 0.000 0.225 52 S C 1.820 176.439 174.600 0.031 0.000 1.030 52 S CA 1.226 59.449 58.200 0.038 0.000 0.999 52 S CB -0.052 63.166 63.200 0.029 0.000 0.844 52 S HN 0.324 nan 8.310 nan 0.000 0.459 53 R N -0.127 120.381 120.500 0.013 0.000 2.115 53 R HA 0.032 4.372 4.340 0.000 0.000 0.226 53 R C 2.473 178.772 176.300 -0.001 0.000 1.100 53 R CA 1.038 57.132 56.100 -0.010 0.000 0.980 53 R CB -0.682 29.580 30.300 -0.063 0.000 0.875 53 R HN 0.389 nan 8.270 nan 0.000 0.445 54 C N 0.596 119.897 119.300 0.001 0.000 2.413 54 C HA -0.100 4.360 4.460 0.000 0.000 0.276 54 C C 2.614 177.647 174.990 0.072 0.000 1.236 54 C CA 0.930 59.977 59.018 0.048 0.000 1.735 54 C CB -0.748 27.059 27.740 0.112 0.000 2.031 54 C HN 0.456 nan 8.230 nan 0.000 0.474 55 R N 0.296 120.834 120.500 0.064 0.000 2.115 55 R HA -0.086 4.254 4.340 0.000 0.000 0.226 55 R C 2.038 178.372 176.300 0.056 0.000 1.100 55 R CA 1.160 57.295 56.100 0.059 0.000 0.980 55 R CB -0.234 30.093 30.300 0.045 0.000 0.875 55 R HN 0.641 nan 8.270 nan 0.000 0.445 56 E N -0.529 119.701 120.200 0.050 0.000 2.112 56 E HA -0.077 4.273 4.350 0.000 0.000 0.190 56 E C 1.686 178.327 176.600 0.068 0.000 0.979 56 E CA 1.315 57.741 56.400 0.043 0.000 0.814 56 E CB 0.206 29.924 29.700 0.030 0.000 0.762 56 E HN 0.228 nan 8.360 nan 0.000 0.460 57 T N 0.732 115.350 114.554 0.107 0.000 2.777 57 T HA -0.142 4.208 4.350 0.000 0.000 0.266 57 T C 1.963 176.818 174.700 0.258 0.000 1.040 57 T CA 1.172 63.396 62.100 0.206 0.000 1.141 57 T CB -0.206 68.775 68.868 0.188 0.000 0.868 57 T HN 0.217 nan 8.240 nan 0.000 0.444 58 A N 1.561 124.483 122.820 0.170 0.000 1.877 58 A HA 0.157 4.477 4.320 0.000 0.000 0.216 58 A C 2.668 180.334 177.584 0.137 0.000 1.186 58 A CA 1.853 53.987 52.037 0.162 0.000 0.620 58 A CB -1.192 17.875 19.000 0.113 0.000 0.822 58 A HN 0.497 nan 8.150 nan 0.000 0.443 59 A N -0.039 122.833 122.820 0.087 0.000 1.883 59 A HA 0.094 4.414 4.320 0.000 0.000 0.217 59 A C 2.514 180.105 177.584 0.011 0.000 1.186 59 A CA 2.311 54.375 52.037 0.045 0.000 0.624 59 A CB -1.106 17.908 19.000 0.023 0.000 0.822 59 A HN 1.155 nan 8.150 nan 0.000 0.444 60 A N -1.689 121.117 122.820 -0.022 0.000 1.978 60 A HA 0.009 4.329 4.320 0.000 0.000 0.220 60 A C 1.580 178.957 177.584 -0.344 0.000 1.170 60 A CA 1.448 53.357 52.037 -0.213 0.000 0.636 60 A CB -0.578 18.238 19.000 -0.306 0.000 0.810 60 A HN 0.523 nan 8.150 nan 0.000 0.448 61 F N -1.590 118.358 119.950 -0.004 0.000 2.639 61 F HA 0.410 4.937 4.527 0.000 0.000 0.302 61 F C 1.734 177.535 175.800 0.001 0.000 1.097 61 F CA 0.573 58.568 58.000 -0.009 0.000 1.294 61 F CB 0.661 39.651 39.000 -0.016 0.000 1.027 61 F HN 0.364 nan 8.300 nan 0.000 0.550 62 G N 0.276 109.153 108.800 0.128 0.000 2.268 62 G HA2 -0.219 3.741 3.960 0.000 0.000 0.240 62 G HA3 -0.219 3.741 3.960 0.000 0.000 0.240 62 G C 0.289 175.240 174.900 0.086 0.000 1.010 62 G CA 0.160 45.310 45.100 0.083 0.000 0.618 62 G HN 0.646 nan 8.290 nan 0.000 0.516 63 S N -1.453 114.316 115.700 0.115 0.000 2.579 63 S HA 0.552 5.022 4.470 0.000 0.000 0.290 63 S C 1.063 175.732 174.600 0.115 0.000 1.123 63 S CA 0.702 58.961 58.200 0.097 0.000 0.894 63 S CB 0.811 64.061 63.200 0.083 0.000 1.095 63 S HN 1.672 nan 8.310 nan 0.000 0.450 64 G N 2.300 111.161 108.800 0.103 0.000 2.498 64 G HA2 0.071 4.031 3.960 0.000 0.000 0.219 64 G HA3 0.071 4.031 3.960 0.000 0.000 0.219 64 G C 1.429 176.401 174.900 0.120 0.000 1.119 64 G CA 1.005 46.172 45.100 0.112 0.000 0.766 64 G HN 1.237 nan 8.290 nan 0.000 0.552 65 A N 1.294 124.179 122.820 0.108 0.000 1.969 65 A HA -0.021 4.299 4.320 0.000 0.000 0.218 65 A C 1.989 179.676 177.584 0.172 0.000 1.169 65 A CA 1.355 53.463 52.037 0.117 0.000 0.635 65 A CB -0.411 18.644 19.000 0.092 0.000 0.810 65 A HN 0.512 nan 8.150 nan 0.000 0.445 66 N N -0.709 118.062 118.700 0.118 0.000 2.521 66 N HA 0.134 4.874 4.740 0.000 0.000 0.188 66 N C -0.792 174.686 175.510 -0.054 0.000 1.146 66 N CA 0.080 53.153 53.050 0.039 0.000 0.893 66 N CB 0.396 38.906 38.487 0.037 0.000 0.975 66 N HN 0.231 nan 8.380 nan 0.000 0.451 67 V N 1.251 121.224 119.914 0.099 0.000 2.376 67 V HA 0.193 4.313 4.120 0.000 0.000 0.287 67 V C -0.698 175.559 176.094 0.273 0.000 1.015 67 V CA -0.787 61.543 62.300 0.051 0.000 0.834 67 V CB 1.074 32.918 31.823 0.035 0.000 1.001 67 V HN 0.232 nan 8.190 nan 0.000 0.428 68 H N 4.079 123.132 119.070 -0.029 0.000 2.504 68 H HA 0.346 4.902 4.556 0.000 0.000 0.322 68 H C -1.146 174.207 175.328 0.041 0.000 1.055 68 H CA -0.660 55.400 56.048 0.019 0.000 1.231 68 H CB 1.881 31.634 29.762 -0.015 0.000 1.417 68 H HN 0.701 nan 8.280 nan 0.000 0.472 69 Y N 2.666 123.012 120.300 0.076 0.000 2.335 69 Y HA 0.311 4.861 4.550 0.000 0.000 0.331 69 Y C -0.424 175.474 175.900 -0.002 0.000 1.094 69 Y CA -1.048 57.069 58.100 0.028 0.000 1.253 69 Y CB 0.588 39.076 38.460 0.047 0.000 1.203 69 Y HN 0.678 nan 8.280 nan 0.000 0.508 70 A N 6.043 128.452 122.820 -0.685 0.000 2.343 70 A HA 0.529 4.849 4.320 0.000 0.000 0.305 70 A C 1.181 178.219 177.584 -0.910 0.000 1.308 70 A CA 0.061 51.749 52.037 -0.582 0.000 0.949 70 A CB -0.444 18.331 19.000 -0.374 0.000 1.148 70 A HN 1.197 nan 8.150 nan 0.000 0.545 71 A N 3.436 125.938 122.820 -0.530 0.000 2.024 71 A HA -0.182 4.138 4.320 0.000 0.000 0.220 71 A C 2.034 179.482 177.584 -0.226 0.000 1.164 71 A CA 1.815 53.673 52.037 -0.299 0.000 0.643 71 A CB -0.388 18.530 19.000 -0.138 0.000 0.806 71 A HN 0.905 nan 8.150 nan 0.000 0.451 72 K N -0.411 119.865 120.400 -0.206 0.000 2.209 72 K HA 0.072 4.392 4.320 0.000 0.000 0.204 72 K C 1.951 178.427 176.600 -0.207 0.000 1.048 72 K CA 1.163 57.401 56.287 -0.081 0.000 0.940 72 K CB -0.533 31.996 32.500 0.049 0.000 0.729 72 K HN 0.264 nan 8.250 nan 0.000 0.451 73 A N 1.348 123.883 122.820 -0.476 0.000 1.902 73 A HA -0.024 4.296 4.320 0.000 0.000 0.217 73 A C 0.664 178.130 177.584 -0.197 0.000 1.181 73 A CA 1.063 52.572 52.037 -0.880 0.000 0.623 73 A CB -0.310 18.323 19.000 -0.611 0.000 0.818 73 A HN 0.518 nan 8.150 nan 0.000 0.443 74 F N -2.772 117.110 119.950 -0.114 0.000 2.662 74 F HA 0.510 5.037 4.527 0.000 0.000 0.319 74 F C -2.152 173.686 175.800 0.064 0.000 1.079 74 F CA -1.450 56.543 58.000 -0.012 0.000 1.062 74 F CB 0.807 39.812 39.000 0.008 0.000 1.299 74 F HN 0.076 nan 8.300 nan 0.000 0.487 75 L N 7.428 128.228 121.223 -0.704 0.000 2.493 75 L HA 0.877 5.217 4.340 0.000 0.000 0.265 75 L C -1.279 175.130 176.870 -0.768 0.000 0.954 75 L CA -0.319 54.150 54.840 -0.618 0.000 0.844 75 L CB 1.657 43.566 42.059 -0.250 0.000 1.302 75 L HN 1.039 nan 8.230 nan 0.000 0.405 76 C N 0.379 119.232 119.300 -0.744 0.000 3.332 76 C HA 0.609 5.069 4.460 0.000 0.000 0.329 76 C C 1.555 176.298 174.990 -0.412 0.000 1.434 76 C CA 0.023 58.728 59.018 -0.521 0.000 1.314 76 C CB 1.080 28.488 27.740 -0.554 0.000 1.664 76 C HN 0.798 nan 8.230 nan 0.000 0.457 77 S N 0.672 116.202 115.700 -0.283 0.000 2.372 77 S HA -0.189 4.281 4.470 0.000 0.000 0.227 77 S C 1.732 176.167 174.600 -0.275 0.000 1.044 77 S CA 2.184 60.275 58.200 -0.182 0.000 1.050 77 S CB -0.373 62.786 63.200 -0.068 0.000 0.901 77 S HN 0.871 nan 8.310 nan 0.000 0.447 78 E N 0.607 120.570 120.200 -0.395 0.000 2.118 78 E HA -0.097 4.253 4.350 0.000 0.000 0.195 78 E C 2.197 178.139 176.600 -1.097 0.000 0.992 78 E CA 0.819 56.865 56.400 -0.591 0.000 0.804 78 E CB -0.341 28.996 29.700 -0.604 0.000 0.741 78 E HN 0.366 nan 8.360 nan 0.000 0.458 79 V N 0.934 120.226 119.914 -1.037 0.000 2.407 79 V HA -0.150 3.970 4.120 0.000 0.000 0.245 79 V C 2.418 178.220 176.094 -0.487 0.000 1.041 79 V CA 1.413 63.072 62.300 -1.068 0.000 1.040 79 V CB -0.748 30.562 31.823 -0.854 0.000 0.671 79 V HN 0.227 nan 8.190 nan 0.000 0.455 80 A N -0.092 122.548 122.820 -0.301 0.000 1.986 80 A HA -0.279 4.041 4.320 0.000 0.000 0.220 80 A C 2.415 180.095 177.584 0.160 0.000 1.171 80 A CA 2.141 54.164 52.037 -0.024 0.000 0.640 80 A CB -0.559 18.445 19.000 0.006 0.000 0.811 80 A HN 0.458 nan 8.150 nan 0.000 0.451 81 R N -1.628 118.868 120.500 -0.007 0.000 2.119 81 R HA -0.109 4.231 4.340 0.000 0.000 0.222 81 R C 1.788 178.199 176.300 0.185 0.000 1.088 81 R CA 1.141 57.282 56.100 0.067 0.000 0.984 81 R CB -0.206 30.101 30.300 0.012 0.000 0.884 81 R HN 0.700 nan 8.270 nan 0.000 0.447 82 W N 0.794 122.047 121.300 -0.077 0.000 2.388 82 W HA -0.101 4.559 4.660 0.000 0.000 0.294 82 W C 1.889 178.431 176.519 0.039 0.000 1.212 82 W CA 0.024 57.320 57.345 -0.082 0.000 1.271 82 W CB -0.673 28.622 29.460 -0.275 0.000 1.126 82 W HN 0.052 nan 8.180 nan 0.000 0.535 83 I N 0.007 120.758 120.570 0.301 0.000 2.163 83 I HA -0.259 3.911 4.170 0.000 0.000 0.240 83 I C 2.615 178.919 176.117 0.313 0.000 1.081 83 I CA 1.752 63.240 61.300 0.312 0.000 1.353 83 I CB -1.793 36.376 38.000 0.282 0.000 1.054 83 I HN -0.034 nan 8.210 nan 0.000 0.407 84 S N 0.650 116.547 115.700 0.328 0.000 2.368 84 S HA -0.264 4.206 4.470 0.000 0.000 0.226 84 S C 1.894 176.499 174.600 0.009 0.000 1.044 84 S CA 1.977 60.173 58.200 -0.007 0.000 1.062 84 S CB -0.226 62.839 63.200 -0.224 0.000 0.931 84 S HN 0.482 nan 8.310 nan 0.000 0.440 85 E N -0.053 120.185 120.200 0.063 0.000 2.204 85 E HA -0.090 4.260 4.350 0.000 0.000 0.195 85 E C 1.753 178.384 176.600 0.050 0.000 0.990 85 E CA 1.047 57.472 56.400 0.042 0.000 0.821 85 E CB -0.009 29.721 29.700 0.051 0.000 0.750 85 E HN 0.552 nan 8.360 nan 0.000 0.477 86 E N -0.762 119.494 120.200 0.094 0.000 2.474 86 E HA 0.066 4.416 4.350 0.000 0.000 0.195 86 E C 0.937 177.593 176.600 0.093 0.000 1.039 86 E CA 0.490 56.946 56.400 0.094 0.000 0.881 86 E CB 1.204 30.985 29.700 0.134 0.000 0.970 86 E HN 0.334 nan 8.360 nan 0.000 0.486 87 G N 1.627 110.479 108.800 0.087 0.000 2.132 87 G HA2 -0.249 3.711 3.960 0.000 0.000 0.234 87 G HA3 -0.249 3.711 3.960 0.000 0.000 0.234 87 G C 0.294 175.256 174.900 0.104 0.000 0.989 87 G CA 0.215 45.356 45.100 0.069 0.000 0.676 87 G HN 0.161 nan 8.290 nan 0.000 0.522 88 L N -0.753 120.564 121.223 0.157 0.000 2.431 88 L HA 0.602 4.942 4.340 0.000 0.000 0.260 88 L C 1.320 178.323 176.870 0.221 0.000 1.098 88 L CA -1.022 53.926 54.840 0.179 0.000 0.800 88 L CB 0.766 42.946 42.059 0.201 0.000 1.210 88 L HN 0.232 nan 8.230 nan 0.000 0.465 89 C N 0.740 120.129 119.300 0.148 0.000 2.365 89 C HA 0.659 5.119 4.460 0.000 0.000 0.374 89 C C 0.074 175.107 174.990 0.070 0.000 1.318 89 C CA -0.508 58.551 59.018 0.068 0.000 2.239 89 C CB 1.301 28.798 27.740 -0.406 0.000 2.144 89 C HN 0.541 nan 8.230 nan 0.000 0.581 90 L N 1.237 122.405 121.223 -0.092 0.000 2.409 90 L HA 0.526 4.866 4.340 0.000 0.000 0.272 90 L C -1.511 175.265 176.870 -0.156 0.000 0.980 90 L CA 0.169 54.883 54.840 -0.209 0.000 0.826 90 L CB 1.451 43.039 42.059 -0.785 0.000 1.268 90 L HN 0.565 nan 8.230 nan 0.000 0.407 91 D N 3.734 124.088 120.400 -0.076 0.000 2.329 91 D HA 0.518 5.158 4.640 0.000 0.000 0.232 91 D C -0.430 175.841 176.300 -0.049 0.000 1.088 91 D CA 0.154 54.153 54.000 -0.002 0.000 0.835 91 D CB 1.650 42.500 40.800 0.083 0.000 1.078 91 D HN 0.401 nan 8.370 nan 0.000 0.495 92 V N -0.145 119.745 119.914 -0.040 0.000 2.975 92 V HA 0.541 4.661 4.120 0.000 0.000 0.318 92 V C 0.595 176.694 176.094 0.009 0.000 1.077 92 V CA -0.661 61.612 62.300 -0.046 0.000 1.000 92 V CB 1.620 33.401 31.823 -0.070 0.000 1.066 92 V HN 0.673 nan 8.190 nan 0.000 0.452 93 C N 1.132 120.437 119.300 0.009 0.000 3.276 93 C HA 0.472 4.932 4.460 0.000 0.000 0.512 93 C C 1.124 176.140 174.990 0.043 0.000 1.376 93 C CA 1.155 60.203 59.018 0.049 0.000 2.319 93 C CB -0.250 27.513 27.740 0.038 0.000 3.330 93 C HN 1.243 nan 8.230 nan 0.000 0.596 94 T N -2.662 111.903 114.554 0.018 0.000 2.858 94 T HA 0.543 4.893 4.350 0.000 0.000 0.285 94 T C 1.298 175.998 174.700 0.001 0.000 1.052 94 T CA 0.465 62.574 62.100 0.015 0.000 1.009 94 T CB 0.838 69.715 68.868 0.015 0.000 1.241 94 T HN 0.283 nan 8.240 nan 0.000 0.542 95 G N 0.248 109.048 108.800 0.001 0.000 2.513 95 G HA2 -0.076 3.884 3.960 0.000 0.000 0.219 95 G HA3 -0.076 3.884 3.960 0.000 0.000 0.219 95 G C 1.553 176.448 174.900 -0.010 0.000 1.160 95 G CA 1.024 46.121 45.100 -0.004 0.000 0.767 95 G HN 1.131 nan 8.290 nan 0.000 0.571 96 G N 0.297 109.090 108.800 -0.011 0.000 2.442 96 G HA2 -0.135 3.825 3.960 0.000 0.000 0.219 96 G HA3 -0.135 3.825 3.960 0.000 0.000 0.219 96 G C 1.650 176.531 174.900 -0.032 0.000 1.141 96 G CA 1.095 46.183 45.100 -0.019 0.000 0.763 96 G HN 0.539 nan 8.290 nan 0.000 0.554 97 E N -0.350 119.831 120.200 -0.032 0.000 2.152 97 E HA 0.032 4.382 4.350 0.000 0.000 0.192 97 E C 2.335 178.902 176.600 -0.055 0.000 0.983 97 E CA 0.102 56.471 56.400 -0.052 0.000 0.818 97 E CB -0.110 29.560 29.700 -0.051 0.000 0.758 97 E HN 0.316 nan 8.360 nan 0.000 0.467 98 L N 0.762 121.963 121.223 -0.036 0.000 2.072 98 L HA -0.075 4.265 4.340 0.000 0.000 0.205 98 L C 2.338 179.202 176.870 -0.010 0.000 1.079 98 L CA 1.346 56.169 54.840 -0.028 0.000 0.752 98 L CB -0.714 41.335 42.059 -0.017 0.000 0.906 98 L HN 0.042 nan 8.230 nan 0.000 0.436 99 A N 0.091 122.906 122.820 -0.008 0.000 1.869 99 A HA -0.252 4.068 4.320 0.000 0.000 0.218 99 A C 2.261 179.854 177.584 0.015 0.000 1.203 99 A CA 2.675 54.716 52.037 0.006 0.000 0.638 99 A CB -1.180 17.817 19.000 -0.005 0.000 0.831 99 A HN 0.325 nan 8.150 nan 0.000 0.450 100 V N -0.356 119.540 119.914 -0.030 0.000 2.407 100 V HA -0.241 3.879 4.120 0.000 0.000 0.248 100 V C 3.024 179.116 176.094 -0.002 0.000 1.055 100 V CA 2.064 64.331 62.300 -0.055 0.000 1.049 100 V CB -1.231 30.521 31.823 -0.119 0.000 0.662 100 V HN 0.674 nan 8.190 nan 0.000 0.455 101 A N -0.661 122.148 122.820 -0.020 0.000 1.930 101 A HA -0.115 4.205 4.320 0.000 0.000 0.217 101 A C 2.098 179.749 177.584 0.110 0.000 1.175 101 A CA 1.473 53.509 52.037 -0.001 0.000 0.627 101 A CB -0.428 18.510 19.000 -0.104 0.000 0.815 101 A HN 0.402 nan 8.150 nan 0.000 0.443 102 L N -0.662 120.614 121.223 0.087 0.000 2.027 102 L HA -0.139 4.201 4.340 0.000 0.000 0.206 102 L C 2.450 179.382 176.870 0.104 0.000 1.074 102 L CA 2.116 57.013 54.840 0.095 0.000 0.745 102 L CB -1.176 40.920 42.059 0.063 0.000 0.898 102 L HN 0.673 nan 8.230 nan 0.000 0.433 103 H N 0.034 119.105 119.070 0.002 0.000 2.466 103 H HA -0.134 4.422 4.556 0.000 0.000 0.297 103 H C 1.333 176.657 175.328 -0.007 0.000 1.113 103 H CA 1.519 57.562 56.048 -0.008 0.000 1.273 103 H CB 0.358 30.108 29.762 -0.020 0.000 1.371 103 H HN 0.305 nan 8.280 nan 0.000 0.528 104 A N -0.258 122.670 122.820 0.180 0.000 2.415 104 A HA 0.276 4.596 4.320 0.000 0.000 0.248 104 A C 0.930 178.553 177.584 0.065 0.000 1.299 104 A CA 0.482 52.587 52.037 0.113 0.000 0.899 104 A CB -0.059 19.011 19.000 0.117 0.000 0.997 104 A HN 0.326 nan 8.150 nan 0.000 0.506 105 S N -1.255 114.470 115.700 0.041 0.000 3.614 105 S HA -0.198 4.272 4.470 0.000 0.000 0.360 105 S C -0.133 174.476 174.600 0.016 0.000 1.023 105 S CA 0.597 58.802 58.200 0.010 0.000 1.114 105 S CB -2.109 61.068 63.200 -0.039 0.000 0.907 105 S HN 0.692 nan 8.310 nan 0.000 0.470 106 F N 2.751 122.691 119.950 -0.018 0.000 2.504 106 F HA 0.371 4.898 4.527 0.000 0.000 0.369 106 F C -1.945 173.846 175.800 -0.015 0.000 1.082 106 F CA -1.996 55.996 58.000 -0.014 0.000 1.216 106 F CB 0.476 39.469 39.000 -0.011 0.000 1.108 106 F HN -0.051 nan 8.300 nan 0.000 0.554 107 P HA 0.003 nan 4.420 nan 0.000 0.257 107 P C -2.146 175.189 177.300 0.059 0.000 1.189 107 P CA -0.846 62.131 63.100 -0.204 0.000 0.780 107 P CB 0.081 31.591 31.700 -0.316 0.000 0.772 108 P HA -0.127 nan 4.420 nan 0.000 0.237 108 P C 0.941 178.281 177.300 0.068 0.000 1.178 108 P CA 1.033 64.197 63.100 0.108 0.000 0.766 108 P CB 0.137 31.869 31.700 0.053 0.000 0.876 109 E N 0.661 120.884 120.200 0.039 0.000 2.435 109 E HA -0.091 4.259 4.350 0.000 0.000 0.195 109 E C 1.256 177.896 176.600 0.066 0.000 1.029 109 E CA 0.416 56.828 56.400 0.019 0.000 0.865 109 E CB -0.316 29.381 29.700 -0.005 0.000 0.833 109 E HN 0.284 nan 8.360 nan 0.000 0.510 110 R N 0.527 121.098 120.500 0.119 0.000 2.468 110 R HA 0.418 4.758 4.340 0.000 0.000 0.280 110 R C 0.179 176.594 176.300 0.193 0.000 0.963 110 R CA -0.150 56.044 56.100 0.157 0.000 1.083 110 R CB 0.568 30.974 30.300 0.175 0.000 1.200 110 R HN 0.103 nan 8.270 nan 0.000 0.541 111 I N 0.585 121.242 120.570 0.146 0.000 2.392 111 I HA 0.230 4.400 4.170 0.000 0.000 0.295 111 I C -0.055 176.068 176.117 0.010 0.000 0.985 111 I CA -0.319 61.003 61.300 0.036 0.000 1.221 111 I CB 2.164 40.191 38.000 0.046 0.000 1.366 111 I HN -0.110 nan 8.210 nan 0.000 0.467 112 T N 6.625 121.154 114.554 -0.043 0.000 2.841 112 T HA 0.496 4.846 4.350 0.000 0.000 0.283 112 T C -0.811 173.824 174.700 -0.109 0.000 1.000 112 T CA -0.425 61.648 62.100 -0.046 0.000 0.977 112 T CB 1.775 70.615 68.868 -0.048 0.000 0.979 112 T HN 0.250 nan 8.240 nan 0.000 0.446 113 L N 4.085 125.221 121.223 -0.146 0.000 2.296 113 L HA 0.560 4.900 4.340 0.000 0.000 0.286 113 L C -0.695 176.048 176.870 -0.212 0.000 1.023 113 L CA -0.200 54.570 54.840 -0.117 0.000 0.812 113 L CB 0.710 42.730 42.059 -0.063 0.000 1.223 113 L HN 0.627 nan 8.230 nan 0.000 0.421 114 H N 3.024 122.060 119.070 -0.055 0.000 2.710 114 H HA 0.907 5.463 4.556 0.000 0.000 0.361 114 H C -0.336 174.999 175.328 0.012 0.000 1.175 114 H CA -0.275 55.735 56.048 -0.064 0.000 1.206 114 H CB 2.210 31.896 29.762 -0.126 0.000 1.750 114 H HN 0.862 nan 8.280 nan 0.000 0.553 115 G N 0.396 109.348 108.800 0.254 0.000 2.301 115 G HA2 -0.125 3.835 3.960 0.000 0.000 0.290 115 G HA3 -0.125 3.835 3.960 0.000 0.000 0.290 115 G C 0.017 175.050 174.900 0.222 0.000 1.669 115 G CA -0.378 44.870 45.100 0.247 0.000 0.945 115 G HN 0.714 nan 8.290 nan 0.000 0.710 116 N N -0.204 118.583 118.700 0.146 0.000 2.467 116 N HA 0.016 4.756 4.740 0.000 0.000 0.184 116 N C 0.699 176.177 175.510 -0.054 0.000 1.106 116 N CA 0.891 53.905 53.050 -0.059 0.000 0.892 116 N CB 0.402 38.609 38.487 -0.466 0.000 0.969 116 N HN 0.486 nan 8.380 nan 0.000 0.454 117 N N -0.034 118.656 118.700 -0.016 0.000 2.622 117 N HA 0.066 4.806 4.740 0.000 0.000 0.293 117 N C -1.267 174.243 175.510 -0.001 0.000 1.788 117 N CA -0.377 52.662 53.050 -0.019 0.000 0.860 117 N CB 0.249 38.715 38.487 -0.034 0.000 1.388 117 N HN 0.073 nan 8.380 nan 0.000 0.496 118 K N 1.338 121.744 120.400 0.011 0.000 2.447 118 K HA 0.034 4.354 4.320 0.000 0.000 0.281 118 K C 0.771 177.373 176.600 0.002 0.000 1.031 118 K CA 0.122 56.415 56.287 0.011 0.000 1.019 118 K CB 0.785 33.293 32.500 0.012 0.000 0.918 118 K HN 0.319 nan 8.250 nan 0.000 0.476 119 S N 1.086 116.787 115.700 0.001 0.000 2.634 119 S HA 0.083 4.553 4.470 0.000 0.000 0.261 119 S C 1.492 176.091 174.600 -0.002 0.000 1.271 119 S CA -0.935 57.264 58.200 -0.002 0.000 0.985 119 S CB 0.980 64.179 63.200 -0.002 0.000 0.968 119 S HN 0.305 nan 8.310 nan 0.000 0.568 120 V N 1.675 121.587 119.914 -0.003 0.000 2.295 120 V HA -0.169 3.951 4.120 0.000 0.000 0.246 120 V C 2.963 179.054 176.094 -0.005 0.000 1.049 120 V CA 2.190 64.488 62.300 -0.004 0.000 1.024 120 V CB -1.843 29.977 31.823 -0.004 0.000 0.648 120 V HN 1.028 nan 8.190 nan 0.000 0.447 121 S N 0.215 115.913 115.700 -0.005 0.000 2.399 121 S HA -0.250 4.220 4.470 0.000 0.000 0.231 121 S C 1.784 176.381 174.600 -0.005 0.000 1.022 121 S CA 1.662 59.859 58.200 -0.005 0.000 0.983 121 S CB -0.475 62.722 63.200 -0.004 0.000 0.803 121 S HN 0.724 nan 8.310 nan 0.000 0.480 122 E N 1.335 121.532 120.200 -0.004 0.000 2.072 122 E HA 0.039 4.389 4.350 0.000 0.000 0.190 122 E C 2.053 178.649 176.600 -0.007 0.000 0.982 122 E CA 1.085 57.482 56.400 -0.004 0.000 0.803 122 E CB -0.336 29.363 29.700 -0.001 0.000 0.755 122 E HN 0.471 nan 8.360 nan 0.000 0.453 123 L N 0.708 121.927 121.223 -0.008 0.000 2.141 123 L HA -0.149 4.191 4.340 0.000 0.000 0.209 123 L C 2.436 179.297 176.870 -0.015 0.000 1.094 123 L CA 0.997 55.830 54.840 -0.011 0.000 0.763 123 L CB -0.424 41.630 42.059 -0.009 0.000 0.908 123 L HN 0.190 nan 8.230 nan 0.000 0.437 124 T N -0.178 114.368 114.554 -0.013 0.000 2.732 124 T HA -0.097 4.253 4.350 0.000 0.000 0.261 124 T C 2.024 176.715 174.700 -0.015 0.000 1.040 124 T CA 1.236 63.327 62.100 -0.015 0.000 1.145 124 T CB -0.206 68.654 68.868 -0.013 0.000 0.866 124 T HN 0.413 nan 8.240 nan 0.000 0.427 125 A N 1.295 124.109 122.820 -0.011 0.000 2.019 125 A HA 0.177 4.497 4.320 0.000 0.000 0.219 125 A C 2.532 180.111 177.584 -0.009 0.000 1.164 125 A CA 1.764 53.796 52.037 -0.008 0.000 0.644 125 A CB -0.901 18.096 19.000 -0.005 0.000 0.805 125 A HN 0.504 nan 8.150 nan 0.000 0.449 126 A N -0.081 122.732 122.820 -0.013 0.000 1.854 126 A HA 0.050 4.370 4.320 0.000 0.000 0.214 126 A C 2.319 179.891 177.584 -0.020 0.000 1.192 126 A CA 1.930 53.958 52.037 -0.015 0.000 0.611 126 A CB -1.195 17.794 19.000 -0.019 0.000 0.832 126 A HN 1.118 nan 8.150 nan 0.000 0.442 127 V N -1.942 117.958 119.914 -0.025 0.000 2.515 127 V HA -0.167 3.953 4.120 0.000 0.000 0.250 127 V C 2.127 178.205 176.094 -0.028 0.000 1.058 127 V CA 2.319 64.601 62.300 -0.031 0.000 1.064 127 V CB -0.822 30.980 31.823 -0.036 0.000 0.675 127 V HN 0.443 nan 8.190 nan 0.000 0.461 128 K N 1.335 121.721 120.400 -0.023 0.000 2.063 128 K HA -0.122 4.198 4.320 0.000 0.000 0.208 128 K C 2.099 178.690 176.600 -0.015 0.000 1.048 128 K CA 2.004 58.280 56.287 -0.019 0.000 0.928 128 K CB -0.520 31.971 32.500 -0.015 0.000 0.713 128 K HN 0.620 nan 8.250 nan 0.000 0.442 129 A N -0.224 122.590 122.820 -0.011 0.000 2.169 129 A HA 0.159 4.479 4.320 0.000 0.000 0.212 129 A C 1.053 178.633 177.584 -0.008 0.000 1.153 129 A CA 1.104 53.139 52.037 -0.004 0.000 0.756 129 A CB -0.145 18.859 19.000 0.006 0.000 0.813 129 A HN 0.487 nan 8.150 nan 0.000 0.471 130 G N -0.479 108.311 108.800 -0.017 0.000 2.303 130 G HA2 -0.156 3.804 3.960 0.000 0.000 0.260 130 G HA3 -0.156 3.804 3.960 0.000 0.000 0.260 130 G C 0.883 175.766 174.900 -0.027 0.000 1.106 130 G CA 0.671 45.755 45.100 -0.026 0.000 0.900 130 G HN 1.479 nan 8.290 nan 0.000 0.495 131 V N -2.524 117.375 119.914 -0.026 0.000 2.295 131 V HA 0.315 4.435 4.120 0.000 0.000 0.246 131 V C 2.595 178.659 176.094 -0.050 0.000 1.049 131 V CA 2.713 65.002 62.300 -0.017 0.000 1.024 131 V CB -0.746 31.068 31.823 -0.015 0.000 0.648 131 V HN 2.458 nan 8.190 nan 0.000 0.447 132 G N -0.343 108.393 108.800 -0.105 0.000 2.195 132 G HA2 -0.236 3.724 3.960 0.000 0.000 0.246 132 G HA3 -0.236 3.724 3.960 0.000 0.000 0.246 132 G C -0.029 174.541 174.900 -0.550 0.000 0.984 132 G CA 0.463 45.415 45.100 -0.247 0.000 0.633 132 G HN 0.972 nan 8.290 nan 0.000 0.525 133 H N -0.975 118.072 119.070 -0.038 0.000 2.865 133 H HA 0.725 5.281 4.556 0.000 0.000 0.362 133 H C -0.449 174.825 175.328 -0.089 0.000 1.114 133 H CA -0.684 55.333 56.048 -0.053 0.000 1.208 133 H CB 1.800 31.538 29.762 -0.040 0.000 1.727 133 H HN 0.209 nan 8.280 nan 0.000 0.534 134 I N 2.911 123.490 120.570 0.015 0.000 2.512 134 I HA 0.211 4.381 4.170 0.000 0.000 0.287 134 I C -0.744 175.325 176.117 -0.079 0.000 1.069 134 I CA -0.929 60.336 61.300 -0.057 0.000 1.056 134 I CB 2.132 40.106 38.000 -0.043 0.000 1.229 134 I HN 0.270 nan 8.210 nan 0.000 0.429 135 V N 7.000 126.805 119.914 -0.182 0.000 2.353 135 V HA 0.165 4.285 4.120 0.000 0.000 0.264 135 V C 0.382 176.429 176.094 -0.078 0.000 1.049 135 V CA -0.590 61.603 62.300 -0.178 0.000 0.896 135 V CB 1.205 32.782 31.823 -0.409 0.000 1.025 135 V HN 0.513 nan 8.190 nan 0.000 0.475 136 V N 1.960 121.858 119.914 -0.027 0.000 2.834 136 V HA 0.533 4.653 4.120 0.000 0.000 0.301 136 V C 0.321 176.438 176.094 0.039 0.000 1.066 136 V CA -0.077 62.225 62.300 0.003 0.000 1.052 136 V CB 1.599 33.419 31.823 -0.006 0.000 1.021 136 V HN 0.770 nan 8.190 nan 0.000 0.480 137 D N 0.596 121.028 120.400 0.054 0.000 2.510 137 D HA 0.235 4.875 4.640 0.000 0.000 0.234 137 D C 0.226 176.560 176.300 0.056 0.000 1.178 137 D CA 0.822 54.877 54.000 0.092 0.000 0.816 137 D CB 0.718 41.604 40.800 0.143 0.000 1.143 137 D HN 1.054 nan 8.370 nan 0.000 0.526 138 S N -1.129 114.589 115.700 0.031 0.000 2.565 138 S HA 0.268 4.738 4.470 0.000 0.000 0.269 138 S C 0.778 175.384 174.600 0.009 0.000 1.153 138 S CA -0.746 57.464 58.200 0.016 0.000 0.835 138 S CB 1.314 64.518 63.200 0.007 0.000 1.122 138 S HN -0.199 nan 8.310 nan 0.000 0.462 139 M N 1.599 121.203 119.600 0.006 0.000 2.106 139 M HA -0.072 4.408 4.480 0.000 0.000 0.259 139 M C 2.078 178.380 176.300 0.004 0.000 1.068 139 M CA 2.123 57.425 55.300 0.004 0.000 1.100 139 M CB -2.228 30.376 32.600 0.006 0.000 1.351 139 M HN 0.927 nan 8.290 nan 0.000 0.404 140 T N -0.328 114.228 114.554 0.003 0.000 2.788 140 T HA -0.167 4.183 4.350 0.000 0.000 0.268 140 T C 1.789 176.491 174.700 0.004 0.000 1.044 140 T CA 1.491 63.593 62.100 0.003 0.000 1.139 140 T CB -0.206 68.662 68.868 -0.001 0.000 0.867 140 T HN 0.496 nan 8.240 nan 0.000 0.454 141 E N 0.650 120.853 120.200 0.004 0.000 2.106 141 E HA -0.077 4.273 4.350 0.000 0.000 0.192 141 E C 2.116 178.718 176.600 0.004 0.000 0.984 141 E CA 0.724 57.127 56.400 0.004 0.000 0.806 141 E CB -0.174 29.530 29.700 0.007 0.000 0.750 141 E HN 0.507 nan 8.360 nan 0.000 0.458 142 I N 0.763 121.335 120.570 0.003 0.000 2.252 142 I HA -0.228 3.942 4.170 0.000 0.000 0.245 142 I C 2.280 178.404 176.117 0.010 0.000 1.102 142 I CA 1.090 62.391 61.300 0.002 0.000 1.385 142 I CB -0.150 37.846 38.000 -0.006 0.000 1.064 142 I HN 0.083 nan 8.210 nan 0.000 0.414 143 E N 0.818 121.025 120.200 0.011 0.000 2.051 143 E HA -0.202 4.148 4.350 0.000 0.000 0.192 143 E C 2.317 178.928 176.600 0.019 0.000 0.991 143 E CA 1.318 57.728 56.400 0.017 0.000 0.799 143 E CB 0.001 29.709 29.700 0.014 0.000 0.748 143 E HN 0.298 nan 8.360 nan 0.000 0.449 144 R N 0.092 120.599 120.500 0.012 0.000 2.073 144 R HA -0.079 4.261 4.340 0.000 0.000 0.234 144 R C 2.465 178.771 176.300 0.009 0.000 1.134 144 R CA 1.038 57.143 56.100 0.009 0.000 0.952 144 R CB -0.460 29.843 30.300 0.004 0.000 0.850 144 R HN 0.199 nan 8.270 nan 0.000 0.433 145 L N 0.943 122.171 121.223 0.008 0.000 2.046 145 L HA -0.229 4.111 4.340 0.000 0.000 0.208 145 L C 1.813 178.694 176.870 0.020 0.000 1.077 145 L CA 1.834 56.678 54.840 0.006 0.000 0.747 145 L CB -0.467 41.593 42.059 0.003 0.000 0.896 145 L HN 0.235 nan 8.230 nan 0.000 0.432 146 D N -0.312 120.111 120.400 0.040 0.000 2.088 146 D HA -0.205 4.435 4.640 0.000 0.000 0.191 146 D C 2.120 178.474 176.300 0.091 0.000 0.992 146 D CA 1.848 55.900 54.000 0.087 0.000 0.831 146 D CB 0.051 40.903 40.800 0.088 0.000 0.973 146 D HN 0.357 nan 8.370 nan 0.000 0.447 147 A N 0.558 123.416 122.820 0.062 0.000 1.852 147 A HA -0.248 4.072 4.320 0.000 0.000 0.217 147 A C 2.596 180.172 177.584 -0.013 0.000 1.215 147 A CA 2.241 54.300 52.037 0.037 0.000 0.641 147 A CB -1.331 17.684 19.000 0.025 0.000 0.838 147 A HN 0.434 nan 8.150 nan 0.000 0.450 148 I N -0.445 120.116 120.570 -0.015 0.000 2.143 148 I HA -0.401 3.769 4.170 0.000 0.000 0.245 148 I C 2.882 178.960 176.117 -0.065 0.000 1.068 148 I CA 1.594 62.874 61.300 -0.034 0.000 1.326 148 I CB -0.303 37.684 38.000 -0.021 0.000 1.028 148 I HN 0.438 nan 8.210 nan 0.000 0.412 149 A N 0.317 123.096 122.820 -0.069 0.000 1.930 149 A HA 0.010 4.330 4.320 0.000 0.000 0.215 149 A C 2.413 179.845 177.584 -0.253 0.000 1.176 149 A CA 1.412 53.387 52.037 -0.102 0.000 0.632 149 A CB -1.181 17.791 19.000 -0.046 0.000 0.819 149 A HN 0.457 nan 8.150 nan 0.000 0.445 150 G N -0.485 108.057 108.800 -0.430 0.000 2.402 150 G HA2 -0.223 3.737 3.960 0.000 0.000 0.216 150 G HA3 -0.223 3.737 3.960 0.000 0.000 0.216 150 G C 1.408 176.019 174.900 -0.481 0.000 1.162 150 G CA 1.015 45.445 45.100 -1.117 0.000 0.777 150 G HN 0.600 nan 8.290 nan 0.000 0.539 151 E N 0.152 120.212 120.200 -0.233 0.000 2.130 151 E HA -0.088 4.262 4.350 0.000 0.000 0.196 151 E C 2.591 179.124 176.600 -0.111 0.000 0.998 151 E CA 0.963 57.289 56.400 -0.123 0.000 0.806 151 E CB -0.127 29.529 29.700 -0.073 0.000 0.738 151 E HN 0.422 nan 8.360 nan 0.000 0.459 152 A N -0.531 122.216 122.820 -0.122 0.000 2.251 152 A HA 0.272 4.592 4.320 0.000 0.000 0.209 152 A C 1.524 179.053 177.584 -0.091 0.000 1.187 152 A CA 0.750 52.735 52.037 -0.087 0.000 0.823 152 A CB -0.080 18.878 19.000 -0.071 0.000 0.846 152 A HN 0.345 nan 8.150 nan 0.000 0.486 153 G N -0.295 108.424 108.800 -0.134 0.000 2.198 153 G HA2 -0.207 3.753 3.960 0.000 0.000 0.257 153 G HA3 -0.207 3.753 3.960 0.000 0.000 0.257 153 G C 0.019 174.876 174.900 -0.071 0.000 1.042 153 G CA 0.672 45.711 45.100 -0.102 0.000 0.791 153 G HN 1.388 nan 8.290 nan 0.000 0.502 154 I N -2.902 117.615 120.570 -0.087 0.000 2.957 154 I HA 0.849 5.019 4.170 0.000 0.000 0.310 154 I C 0.295 176.401 176.117 -0.019 0.000 1.063 154 I CA -1.776 59.497 61.300 -0.045 0.000 1.033 154 I CB 2.209 40.183 38.000 -0.044 0.000 1.230 154 I HN 0.509 nan 8.210 nan 0.000 0.447 155 V N 0.831 120.748 119.914 0.005 0.000 2.277 155 V HA 0.494 4.614 4.120 0.000 0.000 0.269 155 V C -0.094 175.999 176.094 -0.002 0.000 1.036 155 V CA -0.505 61.812 62.300 0.028 0.000 0.821 155 V CB 0.350 32.196 31.823 0.038 0.000 1.052 155 V HN 0.872 nan 8.190 nan 0.000 0.462 156 Q N 3.406 123.204 119.800 -0.003 0.000 2.286 156 Q HA 0.195 4.535 4.340 0.000 0.000 0.265 156 Q C -0.259 175.726 176.000 -0.025 0.000 1.080 156 Q CA 0.452 56.238 55.803 -0.029 0.000 0.906 156 Q CB 0.318 29.042 28.738 -0.023 0.000 1.227 156 Q HN 0.841 nan 8.270 nan 0.000 0.409 157 D N 2.265 122.628 120.400 -0.062 0.000 2.458 157 D HA 0.220 4.860 4.640 0.000 0.000 0.243 157 D C -0.519 175.784 176.300 0.006 0.000 1.146 157 D CA 0.308 54.286 54.000 -0.037 0.000 0.877 157 D CB 0.576 41.305 40.800 -0.118 0.000 1.176 157 D HN 0.373 nan 8.370 nan 0.000 0.461 158 V N -0.494 119.447 119.914 0.045 0.000 3.078 158 V HA 0.721 4.841 4.120 0.000 0.000 0.311 158 V C -0.978 175.142 176.094 0.043 0.000 1.138 158 V CA -1.045 61.277 62.300 0.038 0.000 1.007 158 V CB 1.727 33.548 31.823 -0.003 0.000 1.045 158 V HN 0.236 nan 8.190 nan 0.000 0.432 159 L N 2.813 124.047 121.223 0.019 0.000 2.342 159 L HA 0.840 5.180 4.340 0.000 0.000 0.271 159 L C 0.004 176.873 176.870 -0.002 0.000 1.008 159 L CA -0.701 54.144 54.840 0.009 0.000 0.818 159 L CB 2.051 44.119 42.059 0.015 0.000 1.296 159 L HN 0.866 nan 8.230 nan 0.000 0.427 160 V N -0.238 119.677 119.914 0.002 0.000 2.539 160 V HA 0.637 4.757 4.120 0.000 0.000 0.292 160 V C -0.070 176.074 176.094 0.083 0.000 1.045 160 V CA -0.856 61.455 62.300 0.017 0.000 0.945 160 V CB 1.336 33.148 31.823 -0.019 0.000 0.993 160 V HN 0.779 nan 8.190 nan 0.000 0.464 161 R N 3.779 124.351 120.500 0.120 0.000 2.308 161 R HA 0.672 5.012 4.340 0.000 0.000 0.305 161 R C -0.988 175.405 176.300 0.154 0.000 1.053 161 R CA -0.505 55.732 56.100 0.228 0.000 0.957 161 R CB 0.805 31.267 30.300 0.270 0.000 1.022 161 R HN 0.905 nan 8.270 nan 0.000 0.461 162 L N 3.308 124.606 121.223 0.124 0.000 2.334 162 L HA 0.479 4.819 4.340 0.000 0.000 0.273 162 L C -0.111 176.792 176.870 0.055 0.000 1.013 162 L CA -1.074 53.803 54.840 0.063 0.000 0.816 162 L CB 2.185 44.255 42.059 0.019 0.000 1.278 162 L HN 0.735 nan 8.230 nan 0.000 0.431 163 T N -1.080 113.505 114.554 0.051 0.000 2.770 163 T HA 0.347 4.697 4.350 0.000 0.000 0.297 163 T C 0.453 175.161 174.700 0.013 0.000 0.997 163 T CA -0.699 61.423 62.100 0.037 0.000 0.949 163 T CB 1.258 70.162 68.868 0.060 0.000 0.941 163 T HN 0.434 nan 8.240 nan 0.000 0.457 164 V N -0.314 119.591 119.914 -0.014 0.000 3.271 164 V HA 0.574 4.694 4.120 0.000 0.000 0.327 164 V C 1.413 177.490 176.094 -0.028 0.000 1.389 164 V CA -0.185 62.102 62.300 -0.022 0.000 1.156 164 V CB -0.903 30.898 31.823 -0.037 0.000 1.103 164 V HN 1.285 nan 8.190 nan 0.000 0.453 165 G N 0.687 109.475 108.800 -0.020 0.000 2.356 165 G HA2 -0.193 3.767 3.960 0.000 0.000 0.296 165 G HA3 -0.193 3.767 3.960 0.000 0.000 0.296 165 G C -0.062 174.820 174.900 -0.030 0.000 1.022 165 G CA 0.578 45.667 45.100 -0.018 0.000 0.961 165 G HN 0.945 nan 8.290 nan 0.000 0.510 166 V N -0.356 119.509 119.914 -0.082 0.000 2.448 166 V HA 0.659 4.779 4.120 0.000 0.000 0.295 166 V C 0.115 176.100 176.094 -0.183 0.000 1.025 166 V CA -0.771 61.443 62.300 -0.143 0.000 0.859 166 V CB 2.076 33.719 31.823 -0.300 0.000 0.988 166 V HN 0.414 nan 8.190 nan 0.000 0.431 167 E N 2.949 123.066 120.200 -0.139 0.000 2.244 167 E HA 0.720 5.070 4.350 0.000 0.000 0.260 167 E C -0.892 175.534 176.600 -0.289 0.000 0.884 167 E CA -0.491 55.773 56.400 -0.225 0.000 0.777 167 E CB 1.831 31.461 29.700 -0.116 0.000 1.197 167 E HN 0.867 nan 8.360 nan 0.000 0.416 168 A N 4.514 127.013 122.820 -0.536 0.000 2.340 168 A HA 0.712 5.032 4.320 0.000 0.000 0.331 168 A C -1.205 175.916 177.584 -0.773 0.000 1.140 168 A CA -0.541 51.200 52.037 -0.494 0.000 0.801 168 A CB 1.021 19.696 19.000 -0.541 0.000 1.234 168 A HN 0.695 nan 8.150 nan 0.000 0.469 169 H N 0.949 119.902 119.070 -0.194 0.000 3.087 169 H HA 0.340 4.896 4.556 0.000 0.000 0.348 169 H C 0.959 176.098 175.328 -0.314 0.000 1.092 169 H CA 0.389 56.281 56.048 -0.261 0.000 1.285 169 H CB 1.331 30.971 29.762 -0.204 0.000 1.875 169 H HN 1.215 nan 8.280 nan 0.000 0.512 170 T N 0.071 114.366 114.554 -0.432 0.000 12.544 170 T HA -0.370 3.980 4.350 0.000 0.000 0.384 170 T C 0.826 175.257 174.700 -0.447 0.000 1.479 170 T CA 1.721 63.352 62.100 -0.783 0.000 2.168 170 T CB -0.930 67.644 68.868 -0.489 0.000 2.571 170 T HN 0.840 nan 8.240 nan 0.000 0.480 171 H N 3.935 122.988 119.070 -0.027 0.000 2.487 171 H HA 0.447 5.003 4.556 0.000 0.000 0.290 171 H C 1.005 176.349 175.328 0.026 0.000 1.081 171 H CA 0.523 56.608 56.048 0.062 0.000 1.116 171 H CB 0.069 29.905 29.762 0.123 0.000 1.560 171 H HN 0.847 nan 8.280 nan 0.000 0.548 172 E N 0.310 120.552 120.200 0.070 0.000 2.459 172 E HA 0.469 4.819 4.350 0.000 0.000 0.275 172 E C -1.136 175.507 176.600 0.071 0.000 0.987 172 E CA -1.239 55.178 56.400 0.029 0.000 0.828 172 E CB 2.556 32.245 29.700 -0.018 0.000 1.428 172 E HN -0.007 nan 8.360 nan 0.000 0.457 173 F N -0.987 118.906 119.950 -0.095 0.000 2.665 173 F HA 0.639 5.166 4.527 0.000 0.000 0.308 173 F C -2.091 173.649 175.800 -0.099 0.000 1.112 173 F CA -1.156 56.760 58.000 -0.140 0.000 0.972 173 F CB 0.937 39.818 39.000 -0.198 0.000 1.295 173 F HN 0.382 nan 8.300 nan 0.000 0.440 174 I N 2.649 123.315 120.570 0.160 0.000 2.377 174 I HA 0.519 4.689 4.170 0.000 0.000 0.293 174 I C -0.275 175.953 176.117 0.185 0.000 0.987 174 I CA -0.712 60.632 61.300 0.074 0.000 1.185 174 I CB 1.948 39.965 38.000 0.028 0.000 1.341 174 I HN 0.755 nan 8.210 nan 0.000 0.455 175 S N 4.035 119.814 115.700 0.132 0.000 2.472 175 S HA 0.772 5.242 4.470 0.000 0.000 0.303 175 S C -0.451 174.175 174.600 0.043 0.000 1.099 175 S CA -0.409 57.871 58.200 0.133 0.000 1.077 175 S CB 0.948 64.263 63.200 0.193 0.000 1.031 175 S HN 0.717 nan 8.310 nan 0.000 0.487 176 T N 1.052 115.617 114.554 0.018 0.000 2.906 176 T HA 0.725 5.075 4.350 0.000 0.000 0.295 176 T C 0.929 175.594 174.700 -0.058 0.000 1.075 176 T CA -0.331 61.765 62.100 -0.007 0.000 1.005 176 T CB 1.305 70.181 68.868 0.015 0.000 1.136 176 T HN 0.603 nan 8.240 nan 0.000 0.498 177 A N 0.256 123.006 122.820 -0.117 0.000 1.968 177 A HA 0.118 4.438 4.320 0.000 0.000 0.217 177 A C 0.804 178.065 177.584 -0.539 0.000 1.169 177 A CA 0.756 52.592 52.037 -0.334 0.000 0.638 177 A CB -0.489 18.284 19.000 -0.378 0.000 0.812 177 A HN 0.876 nan 8.150 nan 0.000 0.446 178 H N -0.397 118.683 119.070 0.017 0.000 2.808 178 H HA 0.239 4.795 4.556 0.000 0.000 0.268 178 H C -1.047 174.290 175.328 0.017 0.000 1.306 178 H CA -0.717 55.341 56.048 0.016 0.000 1.565 178 H CB 0.120 29.890 29.762 0.013 0.000 1.632 178 H HN 0.580 nan 8.280 nan 0.000 0.525 179 E N 2.096 122.350 120.200 0.090 0.000 2.585 179 E HA -0.075 4.275 4.350 0.000 0.000 0.252 179 E C -0.335 176.312 176.600 0.078 0.000 0.981 179 E CA 0.271 56.712 56.400 0.067 0.000 0.943 179 E CB 0.455 30.183 29.700 0.047 0.000 0.923 179 E HN 0.370 nan 8.360 nan 0.000 0.486 180 D N 4.817 125.256 120.400 0.065 0.000 2.485 180 D HA 0.134 4.774 4.640 0.000 0.000 0.256 180 D C -1.114 175.213 176.300 0.045 0.000 1.141 180 D CA -0.282 53.749 54.000 0.052 0.000 0.942 180 D CB 0.047 40.874 40.800 0.045 0.000 1.003 180 D HN 0.542 nan 8.370 nan 0.000 0.507 181 Q N 0.329 120.159 119.800 0.049 0.000 2.707 181 Q HA 0.365 4.705 4.340 0.000 0.000 0.307 181 Q C 0.463 176.477 176.000 0.023 0.000 0.934 181 Q CA -0.991 54.843 55.803 0.051 0.000 0.753 181 Q CB 1.044 29.843 28.738 0.102 0.000 1.478 181 Q HN -0.036 nan 8.270 nan 0.000 0.458 182 K N -0.452 119.925 120.400 -0.038 0.000 2.243 182 K HA 0.146 4.466 4.320 0.000 0.000 0.201 182 K C -0.386 176.102 176.600 -0.187 0.000 1.051 182 K CA 0.349 56.535 56.287 -0.168 0.000 0.970 182 K CB 0.003 32.311 32.500 -0.320 0.000 0.755 182 K HN 0.295 nan 8.250 nan 0.000 0.465 183 F N 2.000 121.974 119.950 0.040 0.000 2.382 183 F HA 0.403 4.930 4.527 0.000 0.000 0.331 183 F C 1.346 177.179 175.800 0.054 0.000 1.121 183 F CA 0.979 59.010 58.000 0.053 0.000 1.183 183 F CB 1.035 40.079 39.000 0.074 0.000 1.207 183 F HN 0.453 nan 8.300 nan 0.000 0.555 184 G N 1.608 110.578 108.800 0.284 0.000 2.760 184 G HA2 -0.150 3.810 3.960 0.000 0.000 0.246 184 G HA3 -0.150 3.810 3.960 0.000 0.000 0.246 184 G C -1.721 173.247 174.900 0.113 0.000 1.359 184 G CA -0.974 44.243 45.100 0.195 0.000 0.861 184 G HN 0.700 nan 8.290 nan 0.000 0.541 185 L N 0.050 121.326 121.223 0.088 0.000 2.385 185 L HA 0.615 4.955 4.340 0.000 0.000 0.273 185 L C 0.810 177.712 176.870 0.053 0.000 0.990 185 L CA -0.709 54.166 54.840 0.059 0.000 0.821 185 L CB 2.179 44.263 42.059 0.042 0.000 1.279 185 L HN 0.818 nan 8.230 nan 0.000 0.412 186 S N 1.097 116.827 115.700 0.051 0.000 2.533 186 S HA 0.146 4.616 4.470 0.000 0.000 0.282 186 S C 1.015 175.639 174.600 0.040 0.000 1.304 186 S CA -0.554 57.677 58.200 0.051 0.000 1.063 186 S CB 1.030 64.270 63.200 0.067 0.000 0.881 186 S HN 0.406 nan 8.310 nan 0.000 0.493 187 V N 5.756 125.688 119.914 0.031 0.000 2.346 187 V HA -0.052 4.068 4.120 0.000 0.000 0.244 187 V C 2.599 178.709 176.094 0.028 0.000 1.037 187 V CA 2.072 64.386 62.300 0.023 0.000 1.029 187 V CB -1.199 30.631 31.823 0.011 0.000 0.663 187 V HN 0.981 nan 8.190 nan 0.000 0.454 188 A N 0.556 123.393 122.820 0.029 0.000 1.930 188 A HA -0.148 4.172 4.320 0.000 0.000 0.217 188 A C 2.334 179.948 177.584 0.050 0.000 1.175 188 A CA 1.871 53.926 52.037 0.031 0.000 0.627 188 A CB -0.564 18.444 19.000 0.013 0.000 0.815 188 A HN 0.667 nan 8.150 nan 0.000 0.443 189 S N -1.811 113.928 115.700 0.064 0.000 2.650 189 S HA 0.371 4.841 4.470 0.000 0.000 0.219 189 S C 1.479 176.108 174.600 0.049 0.000 0.960 189 S CA 1.027 59.268 58.200 0.068 0.000 0.925 189 S CB -0.399 62.847 63.200 0.077 0.000 0.775 189 S HN 1.850 nan 8.310 nan 0.000 0.525 190 G N 1.084 109.910 108.800 0.043 0.000 2.284 190 G HA2 -0.379 3.581 3.960 0.000 0.000 0.261 190 G HA3 -0.379 3.581 3.960 0.000 0.000 0.261 190 G C 1.229 176.151 174.900 0.035 0.000 0.997 190 G CA 0.374 45.498 45.100 0.039 0.000 0.621 190 G HN 1.270 nan 8.290 nan 0.000 0.534 191 A N 0.614 123.454 122.820 0.034 0.000 1.927 191 A HA 0.202 4.522 4.320 0.000 0.000 0.220 191 A C 2.903 180.500 177.584 0.022 0.000 1.185 191 A CA 3.329 55.383 52.037 0.028 0.000 0.639 191 A CB -1.029 17.989 19.000 0.030 0.000 0.820 191 A HN 1.910 nan 8.150 nan 0.000 0.451 192 A N -1.345 121.488 122.820 0.022 0.000 1.902 192 A HA -0.093 4.227 4.320 0.000 0.000 0.217 192 A C 2.190 179.772 177.584 -0.003 0.000 1.181 192 A CA 2.303 54.346 52.037 0.010 0.000 0.623 192 A CB -0.472 18.536 19.000 0.013 0.000 0.818 192 A HN 0.600 nan 8.150 nan 0.000 0.443 193 M N 0.289 119.898 119.600 0.016 0.000 2.132 193 M HA 0.046 4.526 4.480 0.000 0.000 0.263 193 M C 2.124 178.445 176.300 0.036 0.000 1.065 193 M CA 1.591 56.910 55.300 0.031 0.000 1.122 193 M CB -0.734 31.904 32.600 0.064 0.000 1.365 193 M HN 0.365 nan 8.290 nan 0.000 0.411 194 A N -0.134 122.708 122.820 0.036 0.000 1.958 194 A HA -0.096 4.224 4.320 0.000 0.000 0.221 194 A C 2.352 179.939 177.584 0.005 0.000 1.178 194 A CA 2.333 54.391 52.037 0.035 0.000 0.642 194 A CB -1.418 17.600 19.000 0.030 0.000 0.816 194 A HN 0.674 nan 8.150 nan 0.000 0.453 195 A N -1.005 121.802 122.820 -0.021 0.000 1.930 195 A HA 0.142 4.462 4.320 0.000 0.000 0.215 195 A C 2.155 179.664 177.584 -0.125 0.000 1.176 195 A CA 1.340 53.346 52.037 -0.052 0.000 0.632 195 A CB -0.719 18.256 19.000 -0.040 0.000 0.819 195 A HN 0.376 nan 8.150 nan 0.000 0.445 196 V N 0.375 120.188 119.914 -0.168 0.000 2.490 196 V HA -0.269 3.851 4.120 0.000 0.000 0.250 196 V C 2.645 178.453 176.094 -0.476 0.000 1.061 196 V CA 2.161 64.235 62.300 -0.377 0.000 1.064 196 V CB -0.827 30.794 31.823 -0.337 0.000 0.670 196 V HN 0.506 nan 8.190 nan 0.000 0.461 197 R N -0.595 119.810 120.500 -0.157 0.000 2.062 197 R HA -0.079 4.261 4.340 0.000 0.000 0.231 197 R C 2.570 178.876 176.300 0.010 0.000 1.136 197 R CA 0.978 57.093 56.100 0.025 0.000 0.948 197 R CB -0.435 29.982 30.300 0.195 0.000 0.845 197 R HN 0.228 nan 8.270 nan 0.000 0.430 198 R N 1.038 121.530 120.500 -0.013 0.000 2.139 198 R HA -0.102 4.238 4.340 0.000 0.000 0.243 198 R C 1.998 178.285 176.300 -0.022 0.000 1.145 198 R CA 1.204 57.304 56.100 -0.001 0.000 0.976 198 R CB -0.602 29.694 30.300 -0.007 0.000 0.866 198 R HN 0.126 nan 8.270 nan 0.000 0.449 199 V N 0.182 120.034 119.914 -0.104 0.000 2.591 199 V HA -0.153 3.967 4.120 0.000 0.000 0.249 199 V C 2.036 178.118 176.094 -0.019 0.000 1.053 199 V CA 1.088 63.321 62.300 -0.111 0.000 1.068 199 V CB -0.586 31.104 31.823 -0.222 0.000 0.689 199 V HN 0.054 nan 8.190 nan 0.000 0.462 200 F N 1.174 121.052 119.950 -0.120 0.000 2.234 200 F HA -0.016 4.511 4.527 0.000 0.000 0.299 200 F C 2.450 178.216 175.800 -0.057 0.000 1.087 200 F CA 0.695 58.609 58.000 -0.143 0.000 1.340 200 F CB -1.328 37.472 39.000 -0.333 0.000 1.031 200 F HN 0.138 nan 8.300 nan 0.000 0.500 201 A N -1.242 121.666 122.820 0.146 0.000 2.019 201 A HA -0.106 4.214 4.320 0.000 0.000 0.219 201 A C 1.602 179.205 177.584 0.032 0.000 1.164 201 A CA 1.738 53.829 52.037 0.089 0.000 0.644 201 A CB -0.842 18.201 19.000 0.072 0.000 0.805 201 A HN 0.308 nan 8.150 nan 0.000 0.449 202 T N -1.578 112.987 114.554 0.018 0.000 2.948 202 T HA 0.435 4.785 4.350 0.000 0.000 0.285 202 T C 0.200 174.872 174.700 -0.046 0.000 1.019 202 T CA 0.050 62.122 62.100 -0.047 0.000 1.013 202 T CB 1.151 69.995 68.868 -0.040 0.000 1.117 202 T HN 0.311 nan 8.240 nan 0.000 0.533 203 D N -0.709 119.603 120.400 -0.147 0.000 2.454 203 D HA 0.106 4.746 4.640 0.000 0.000 0.219 203 D C 1.291 177.608 176.300 0.028 0.000 1.081 203 D CA 0.415 54.365 54.000 -0.083 0.000 0.867 203 D CB -0.347 40.370 40.800 -0.139 0.000 1.054 203 D HN 0.745 nan 8.370 nan 0.000 0.500 204 H N -0.502 118.577 119.070 0.015 0.000 2.546 204 H HA 0.144 4.700 4.556 0.000 0.000 0.277 204 H C -0.043 175.287 175.328 0.002 0.000 1.004 204 H CA -0.076 55.976 56.048 0.006 0.000 1.231 204 H CB 0.468 30.233 29.762 0.004 0.000 1.382 204 H HN 0.001 nan 8.280 nan 0.000 0.580 205 L N -0.059 121.236 121.223 0.121 0.000 2.279 205 L HA 0.454 4.794 4.340 0.000 0.000 0.262 205 L C -0.127 176.777 176.870 0.057 0.000 1.019 205 L CA -1.018 53.860 54.840 0.064 0.000 0.823 205 L CB 1.807 43.890 42.059 0.040 0.000 1.358 205 L HN 0.069 nan 8.230 nan 0.000 0.432 206 R N 1.205 121.731 120.500 0.043 0.000 2.603 206 R HA 0.415 4.755 4.340 0.000 0.000 0.280 206 R C -2.018 174.313 176.300 0.051 0.000 1.185 206 R CA -0.695 55.444 56.100 0.065 0.000 1.039 206 R CB 1.062 31.398 30.300 0.059 0.000 1.247 206 R HN 0.454 nan 8.270 nan 0.000 0.413 207 L N 6.201 127.456 121.223 0.053 0.000 2.369 207 L HA 0.185 4.525 4.340 0.000 0.000 0.279 207 L C 0.524 177.428 176.870 0.056 0.000 1.108 207 L CA 0.443 55.279 54.840 -0.005 0.000 0.852 207 L CB 1.564 43.510 42.059 -0.188 0.000 1.169 207 L HN 0.644 nan 8.230 nan 0.000 0.452 208 V N 2.096 122.045 119.914 0.058 0.000 3.605 208 V HA 0.796 4.916 4.120 0.000 0.000 0.284 208 V C 0.610 176.738 176.094 0.057 0.000 1.386 208 V CA 0.548 62.896 62.300 0.080 0.000 1.053 208 V CB -0.266 31.633 31.823 0.126 0.000 0.857 208 V HN 0.837 nan 8.190 nan 0.000 0.436 209 G N -0.069 108.751 108.800 0.033 0.000 2.430 209 G HA2 0.582 4.542 3.960 0.000 0.000 0.300 209 G HA3 0.582 4.542 3.960 0.000 0.000 0.300 209 G C -2.091 172.814 174.900 0.009 0.000 1.330 209 G CA -0.863 44.247 45.100 0.015 0.000 0.813 209 G HN 0.208 nan 8.290 nan 0.000 0.487 210 L N 1.067 122.297 121.223 0.012 0.000 2.385 210 L HA 0.552 4.892 4.340 0.000 0.000 0.273 210 L C -0.544 176.359 176.870 0.054 0.000 0.990 210 L CA -1.043 53.811 54.840 0.024 0.000 0.821 210 L CB 2.342 44.400 42.059 -0.001 0.000 1.279 210 L HN 0.745 nan 8.230 nan 0.000 0.412 211 H N 2.225 121.288 119.070 -0.013 0.000 2.524 211 H HA 0.597 5.153 4.556 0.000 0.000 0.353 211 H C -1.711 173.623 175.328 0.010 0.000 1.136 211 H CA -0.253 55.793 56.048 -0.002 0.000 1.193 211 H CB 2.328 32.109 29.762 0.032 0.000 1.558 211 H HN 0.556 nan 8.280 nan 0.000 0.515 212 S N 3.259 118.546 115.700 -0.688 0.000 2.572 212 S HA 0.266 4.736 4.470 0.000 0.000 0.274 212 S C -1.953 172.323 174.600 -0.540 0.000 1.150 212 S CA -0.627 57.275 58.200 -0.496 0.000 0.944 212 S CB 0.789 63.866 63.200 -0.206 0.000 1.071 212 S HN 0.818 nan 8.310 nan 0.000 0.479 213 H N 4.132 122.941 119.070 -0.435 0.000 2.589 213 H HA 0.576 5.132 4.556 0.000 0.000 0.335 213 H C 0.540 175.762 175.328 -0.177 0.000 1.019 213 H CA -0.573 55.320 56.048 -0.258 0.000 1.213 213 H CB 0.908 30.551 29.762 -0.199 0.000 1.472 213 H HN 0.660 nan 8.280 nan 0.000 0.508 214 I N 1.733 121.971 120.570 -0.554 0.000 4.154 214 I HA 0.676 4.846 4.170 0.000 0.000 0.334 214 I C 0.523 176.289 176.117 -0.584 0.000 1.371 214 I CA 0.200 61.215 61.300 -0.475 0.000 1.110 214 I CB 0.602 38.365 38.000 -0.395 0.000 1.085 214 I HN 0.662 nan 8.210 nan 0.000 0.398 215 G N 1.208 109.560 108.800 -0.747 0.000 2.344 215 G HA2 0.412 4.372 3.960 0.000 0.000 0.282 215 G HA3 0.412 4.372 3.960 0.000 0.000 0.282 215 G C -1.405 173.287 174.900 -0.347 0.000 1.281 215 G CA 0.051 44.799 45.100 -0.587 0.000 0.877 215 G HN 0.512 nan 8.290 nan 0.000 0.494 216 S N -1.748 113.848 115.700 -0.172 0.000 2.607 216 S HA 0.599 5.069 4.470 0.000 0.000 0.273 216 S C -0.090 174.496 174.600 -0.024 0.000 1.148 216 S CA 0.348 58.523 58.200 -0.042 0.000 0.833 216 S CB 2.144 65.316 63.200 -0.047 0.000 1.130 216 S HN 1.507 nan 8.310 nan 0.000 0.470 217 Q N -0.105 119.670 119.800 -0.043 0.000 2.481 217 Q HA -0.144 4.196 4.340 0.000 0.000 0.272 217 Q C -0.561 175.150 176.000 -0.481 0.000 1.157 217 Q CA 0.696 56.404 55.803 -0.158 0.000 0.935 217 Q CB -1.862 26.774 28.738 -0.169 0.000 1.338 217 Q HN 0.801 nan 8.270 nan 0.000 0.494 218 I N 0.514 120.926 120.570 -0.264 0.000 2.556 218 I HA -0.019 4.151 4.170 0.000 0.000 0.284 218 I C 1.129 177.196 176.117 -0.083 0.000 1.114 218 I CA 0.093 61.218 61.300 -0.291 0.000 1.418 218 I CB 0.177 38.071 38.000 -0.178 0.000 1.394 218 I HN -0.082 nan 8.210 nan 0.000 0.552 219 F N 2.577 122.399 119.950 -0.214 0.000 2.653 219 F HA 0.296 4.823 4.527 0.000 0.000 0.304 219 F C 0.412 176.142 175.800 -0.116 0.000 1.092 219 F CA -0.490 57.349 58.000 -0.268 0.000 1.279 219 F CB -0.335 38.227 39.000 -0.729 0.000 1.044 219 F HN 0.334 nan 8.300 nan 0.000 0.564 220 D N -0.829 119.636 120.400 0.108 0.000 2.547 220 D HA 0.181 4.821 4.640 0.000 0.000 0.231 220 D C 0.548 176.939 176.300 0.153 0.000 1.099 220 D CA -0.282 53.817 54.000 0.166 0.000 0.901 220 D CB 3.392 44.302 40.800 0.185 0.000 1.478 220 D HN -0.178 nan 8.370 nan 0.000 0.471 221 V N 1.121 121.145 119.914 0.183 0.000 3.541 221 V HA -0.099 4.021 4.120 0.000 0.000 0.267 221 V C 0.870 177.037 176.094 0.121 0.000 1.213 221 V CA 1.134 63.575 62.300 0.235 0.000 1.149 221 V CB -0.148 31.792 31.823 0.196 0.000 0.822 221 V HN 0.368 nan 8.190 nan 0.000 0.462 222 D N 0.968 121.415 120.400 0.078 0.000 2.117 222 D HA -0.081 4.559 4.640 0.000 0.000 0.197 222 D C 2.133 178.349 176.300 -0.140 0.000 0.987 222 D CA 1.607 55.661 54.000 0.090 0.000 0.829 222 D CB -0.459 40.492 40.800 0.252 0.000 0.961 222 D HN 0.530 nan 8.370 nan 0.000 0.460 223 G N -0.344 108.215 108.800 -0.400 0.000 2.408 223 G HA2 -0.210 3.750 3.960 0.000 0.000 0.217 223 G HA3 -0.210 3.750 3.960 0.000 0.000 0.217 223 G C 1.324 175.793 174.900 -0.718 0.000 1.150 223 G CA 0.099 44.571 45.100 -1.048 0.000 0.776 223 G HN 0.153 nan 8.290 nan 0.000 0.542 224 F N 1.057 120.846 119.950 -0.268 0.000 2.171 224 F HA 0.019 4.546 4.527 0.000 0.000 0.300 224 F C 2.489 178.200 175.800 -0.149 0.000 1.090 224 F CA 1.207 59.096 58.000 -0.185 0.000 1.293 224 F CB -0.489 38.451 39.000 -0.099 0.000 1.013 224 F HN 0.272 nan 8.300 nan 0.000 0.486 225 E N 0.377 120.604 120.200 0.045 0.000 2.058 225 E HA -0.257 4.093 4.350 0.000 0.000 0.194 225 E C 2.247 178.844 176.600 -0.006 0.000 0.997 225 E CA 1.337 57.757 56.400 0.033 0.000 0.801 225 E CB -0.337 29.383 29.700 0.033 0.000 0.746 225 E HN 0.288 nan 8.360 nan 0.000 0.450 226 L N 0.976 122.131 121.223 -0.114 0.000 2.017 226 L HA -0.098 4.242 4.340 0.000 0.000 0.208 226 L C 2.325 179.155 176.870 -0.065 0.000 1.073 226 L CA 2.329 57.106 54.840 -0.105 0.000 0.745 226 L CB -0.936 40.992 42.059 -0.219 0.000 0.894 226 L HN 0.207 nan 8.230 nan 0.000 0.432 227 A N -0.484 122.242 122.820 -0.156 0.000 1.908 227 A HA -0.143 4.177 4.320 0.000 0.000 0.218 227 A C 2.455 180.027 177.584 -0.021 0.000 1.181 227 A CA 2.065 54.039 52.037 -0.105 0.000 0.627 227 A CB -1.240 17.677 19.000 -0.138 0.000 0.818 227 A HN 0.598 nan 8.150 nan 0.000 0.445 228 A N -0.968 121.862 122.820 0.017 0.000 1.877 228 A HA -0.180 4.140 4.320 0.000 0.000 0.216 228 A C 1.995 179.605 177.584 0.044 0.000 1.186 228 A CA 2.132 54.186 52.037 0.029 0.000 0.620 228 A CB -0.977 18.050 19.000 0.047 0.000 0.822 228 A HN 0.789 nan 8.150 nan 0.000 0.443 229 H N -0.518 118.541 119.070 -0.020 0.000 2.289 229 H HA -0.154 4.402 4.556 0.000 0.000 0.296 229 H C 2.253 177.573 175.328 -0.013 0.000 1.091 229 H CA 2.363 58.404 56.048 -0.011 0.000 1.274 229 H CB -0.075 29.682 29.762 -0.009 0.000 1.364 229 H HN 0.376 nan 8.280 nan 0.000 0.490 230 R N -0.581 119.963 120.500 0.073 0.000 2.120 230 R HA -0.067 4.273 4.340 0.000 0.000 0.234 230 R C 2.455 178.726 176.300 -0.048 0.000 1.123 230 R CA 1.142 57.245 56.100 0.004 0.000 0.975 230 R CB -0.149 30.171 30.300 0.033 0.000 0.866 230 R HN 0.233 nan 8.270 nan 0.000 0.446 231 V N 0.607 120.496 119.914 -0.041 0.000 2.283 231 V HA -0.192 3.928 4.120 0.000 0.000 0.243 231 V C 2.103 178.166 176.094 -0.052 0.000 1.039 231 V CA 1.361 63.637 62.300 -0.042 0.000 1.016 231 V CB -0.350 31.450 31.823 -0.038 0.000 0.650 231 V HN 0.238 nan 8.190 nan 0.000 0.449 232 I N 1.401 121.932 120.570 -0.065 0.000 2.335 232 I HA -0.194 3.976 4.170 0.000 0.000 0.251 232 I C 2.616 178.675 176.117 -0.098 0.000 1.129 232 I CA 1.932 63.190 61.300 -0.070 0.000 1.402 232 I CB -1.934 36.023 38.000 -0.072 0.000 1.069 232 I HN 0.420 nan 8.210 nan 0.000 0.424 233 G N 1.132 109.835 108.800 -0.161 0.000 2.440 233 G HA2 -0.236 3.724 3.960 0.000 0.000 0.218 233 G HA3 -0.236 3.724 3.960 0.000 0.000 0.218 233 G C 1.821 176.683 174.900 -0.064 0.000 1.154 233 G CA 0.328 45.338 45.100 -0.151 0.000 0.767 233 G HN 0.338 nan 8.290 nan 0.000 0.552 234 L N -0.125 121.073 121.223 -0.043 0.000 2.056 234 L HA 0.067 4.407 4.340 0.000 0.000 0.207 234 L C 2.810 179.683 176.870 0.005 0.000 1.078 234 L CA 0.870 55.704 54.840 -0.010 0.000 0.749 234 L CB -0.232 41.822 42.059 -0.010 0.000 0.901 234 L HN 0.228 nan 8.230 nan 0.000 0.433 235 L N 0.064 121.284 121.223 -0.006 0.000 2.012 235 L HA -0.311 4.029 4.340 0.000 0.000 0.210 235 L C 2.869 179.757 176.870 0.030 0.000 1.073 235 L CA 1.942 56.790 54.840 0.014 0.000 0.748 235 L CB -0.429 41.633 42.059 0.004 0.000 0.891 235 L HN 0.393 nan 8.230 nan 0.000 0.431 236 R N 0.127 120.632 120.500 0.008 0.000 2.112 236 R HA -0.252 4.088 4.340 0.000 0.000 0.242 236 R C 1.737 178.062 176.300 0.041 0.000 1.137 236 R CA 2.423 58.532 56.100 0.016 0.000 0.944 236 R CB -0.532 29.761 30.300 -0.011 0.000 0.857 236 R HN 0.333 nan 8.270 nan 0.000 0.435 237 D N 0.319 120.743 120.400 0.040 0.000 2.149 237 D HA -0.157 4.483 4.640 0.000 0.000 0.198 237 D C 2.006 178.381 176.300 0.125 0.000 0.990 237 D CA 1.860 55.900 54.000 0.066 0.000 0.839 237 D CB -0.296 40.538 40.800 0.056 0.000 0.948 237 D HN 0.401 nan 8.370 nan 0.000 0.460 238 V N -0.278 119.722 119.914 0.144 0.000 2.453 238 V HA -0.121 3.999 4.120 0.000 0.000 0.247 238 V C 2.428 178.699 176.094 0.297 0.000 1.048 238 V CA 1.541 63.993 62.300 0.253 0.000 1.049 238 V CB -1.036 30.895 31.823 0.180 0.000 0.672 238 V HN 0.181 nan 8.190 nan 0.000 0.457 239 V N 0.999 121.020 119.914 0.179 0.000 2.667 239 V HA 0.150 4.270 4.120 0.000 0.000 0.252 239 V C 2.423 178.588 176.094 0.119 0.000 1.065 239 V CA 2.084 64.473 62.300 0.147 0.000 1.083 239 V CB -1.189 30.687 31.823 0.088 0.000 0.692 239 V HN 0.520 nan 8.190 nan 0.000 0.468 240 G N -0.397 108.463 108.800 0.100 0.000 2.509 240 G HA2 -0.165 3.795 3.960 0.000 0.000 0.218 240 G HA3 -0.165 3.795 3.960 0.000 0.000 0.218 240 G C 1.451 176.377 174.900 0.042 0.000 1.124 240 G CA 0.799 45.936 45.100 0.061 0.000 0.776 240 G HN 0.657 nan 8.290 nan 0.000 0.547 241 E N -1.331 118.919 120.200 0.084 0.000 2.413 241 E HA 0.201 4.551 4.350 0.000 0.000 0.203 241 E C 0.649 177.081 176.600 -0.279 0.000 0.957 241 E CA -0.124 56.224 56.400 -0.087 0.000 0.950 241 E CB 0.277 29.929 29.700 -0.080 0.000 0.957 241 E HN 0.415 nan 8.360 nan 0.000 0.497 242 F N -0.094 119.872 119.950 0.028 0.000 2.856 242 F HA 0.348 4.875 4.527 0.000 0.000 0.338 242 F C 0.484 176.258 175.800 -0.044 0.000 1.100 242 F CA 0.245 58.234 58.000 -0.019 0.000 1.150 242 F CB 1.662 40.638 39.000 -0.040 0.000 1.101 242 F HN 0.034 nan 8.300 nan 0.000 0.548 243 G N 2.137 111.011 108.800 0.123 0.000 2.915 243 G HA2 -0.197 3.763 3.960 0.000 0.000 0.686 243 G HA3 -0.197 3.763 3.960 0.000 0.000 0.686 243 G C -2.758 172.175 174.900 0.056 0.000 1.414 243 G CA -1.282 43.856 45.100 0.063 0.000 1.053 243 G HN -0.028 nan 8.290 nan 0.000 0.598 244 P HA 0.138 nan 4.420 nan 0.000 0.258 244 P C 0.678 177.986 177.300 0.014 0.000 1.563 244 P CA 1.089 64.207 63.100 0.031 0.000 1.241 244 P CB 0.187 31.903 31.700 0.027 0.000 1.811 245 E N 1.988 122.189 120.200 0.001 0.000 2.321 245 E HA -0.047 4.303 4.350 0.000 0.000 0.256 245 E C 0.967 177.537 176.600 -0.050 0.000 1.101 245 E CA -0.140 56.250 56.400 -0.017 0.000 1.790 245 E CB -0.592 29.098 29.700 -0.017 0.000 3.331 245 E HN 0.138 nan 8.360 nan 0.000 1.027 246 K N 1.094 121.433 120.400 -0.101 0.000 2.486 246 K HA 0.136 4.456 4.320 0.000 0.000 0.194 246 K C 1.010 177.466 176.600 -0.240 0.000 1.033 246 K CA 1.447 57.587 56.287 -0.246 0.000 1.004 246 K CB 0.175 32.423 32.500 -0.420 0.000 0.798 246 K HN 0.128 nan 8.250 nan 0.000 0.495 247 T N -0.787 113.726 114.554 -0.069 0.000 2.978 247 T HA 0.189 4.539 4.350 0.000 0.000 0.248 247 T C 1.464 176.196 174.700 0.053 0.000 1.018 247 T CA 0.390 62.517 62.100 0.046 0.000 1.026 247 T CB 0.333 69.249 68.868 0.079 0.000 1.032 247 T HN 0.259 nan 8.240 nan 0.000 0.485 248 A N 2.440 125.275 122.820 0.026 0.000 1.971 248 A HA -0.237 4.083 4.320 0.000 0.000 0.222 248 A C 2.234 179.840 177.584 0.038 0.000 1.182 248 A CA 2.058 54.112 52.037 0.028 0.000 0.649 248 A CB -0.533 18.477 19.000 0.017 0.000 0.818 248 A HN 0.549 nan 8.150 nan 0.000 0.458 249 Q N 0.163 119.989 119.800 0.045 0.000 2.432 249 Q HA 0.039 4.379 4.340 0.000 0.000 0.205 249 Q C 0.530 176.571 176.000 0.067 0.000 0.945 249 Q CA 0.503 56.338 55.803 0.054 0.000 0.924 249 Q CB -0.458 28.312 28.738 0.053 0.000 1.016 249 Q HN 0.665 nan 8.270 nan 0.000 0.503 250 I N 2.554 123.170 120.570 0.077 0.000 2.366 250 I HA 0.073 4.243 4.170 0.000 0.000 0.302 250 I C 0.675 176.819 176.117 0.045 0.000 1.194 250 I CA 0.151 61.490 61.300 0.064 0.000 1.667 250 I CB 0.056 38.098 38.000 0.070 0.000 1.501 250 I HN 0.138 nan 8.210 nan 0.000 0.776 251 A N 3.478 126.323 122.820 0.041 0.000 2.503 251 A HA 0.280 4.600 4.320 0.000 0.000 0.263 251 A C 0.695 178.292 177.584 0.021 0.000 1.258 251 A CA 0.015 52.071 52.037 0.032 0.000 0.936 251 A CB 0.195 19.216 19.000 0.035 0.000 1.070 251 A HN 0.447 nan 8.150 nan 0.000 0.522 252 T N 0.450 115.013 114.554 0.015 0.000 2.807 252 T HA 0.502 4.852 4.350 0.000 0.000 0.279 252 T C -0.777 173.913 174.700 -0.017 0.000 0.993 252 T CA -0.234 61.862 62.100 -0.007 0.000 0.970 252 T CB 1.717 70.572 68.868 -0.022 0.000 0.950 252 T HN -0.055 nan 8.240 nan 0.000 0.441 253 V N 3.672 123.568 119.914 -0.030 0.000 2.334 253 V HA 0.320 4.440 4.120 0.000 0.000 0.281 253 V C -0.151 175.897 176.094 -0.077 0.000 1.016 253 V CA -0.834 61.441 62.300 -0.041 0.000 0.832 253 V CB 1.446 33.248 31.823 -0.035 0.000 0.999 253 V HN 0.805 nan 8.190 nan 0.000 0.439 254 D N 4.814 125.169 120.400 -0.075 0.000 2.428 254 D HA 0.275 4.915 4.640 0.000 0.000 0.221 254 D C 0.693 176.895 176.300 -0.163 0.000 1.123 254 D CA -0.205 53.731 54.000 -0.105 0.000 0.869 254 D CB 1.418 42.227 40.800 0.015 0.000 1.032 254 D HN 0.471 nan 8.370 nan 0.000 0.506 255 L N 3.207 124.319 121.223 -0.186 0.000 2.660 255 L HA 0.221 4.561 4.340 0.000 0.000 0.238 255 L C 1.550 178.330 176.870 -0.151 0.000 1.161 255 L CA -0.045 54.687 54.840 -0.179 0.000 0.937 255 L CB -0.861 41.076 42.059 -0.204 0.000 1.122 255 L HN 0.572 nan 8.230 nan 0.000 0.435 256 G N 0.094 108.801 108.800 -0.155 0.000 2.645 256 G HA2 -0.184 3.776 3.960 0.000 0.000 0.246 256 G HA3 -0.184 3.776 3.960 0.000 0.000 0.246 256 G C 0.209 175.134 174.900 0.043 0.000 1.322 256 G CA -0.439 44.670 45.100 0.015 0.000 0.898 256 G HN 0.436 nan 8.290 nan 0.000 0.573 257 G N -2.837 106.100 108.800 0.228 0.000 2.940 257 G HA2 0.705 4.665 3.960 0.000 0.000 0.164 257 G HA3 0.705 4.665 3.960 0.000 0.000 0.164 257 G C 1.429 176.506 174.900 0.296 0.000 1.326 257 G CA 1.121 46.325 45.100 0.173 0.000 1.020 257 G HN 2.633 nan 8.290 nan 0.000 0.586 258 G N -1.616 107.333 108.800 0.248 0.000 2.176 258 G HA2 -0.170 3.790 3.960 0.000 0.000 0.232 258 G HA3 -0.170 3.790 3.960 0.000 0.000 0.232 258 G C 0.462 175.466 174.900 0.173 0.000 0.986 258 G CA 0.162 45.359 45.100 0.161 0.000 0.643 258 G HN 1.205 nan 8.290 nan 0.000 0.522 259 L N 0.867 122.207 121.223 0.195 0.000 2.597 259 L HA 0.550 4.890 4.340 0.000 0.000 0.271 259 L C 1.246 178.228 176.870 0.186 0.000 1.157 259 L CA 0.038 54.997 54.840 0.197 0.000 0.928 259 L CB -0.386 41.772 42.059 0.166 0.000 1.216 259 L HN 0.196 nan 8.230 nan 0.000 0.481 260 G N 4.112 113.056 108.800 0.240 0.000 2.562 260 G HA2 0.630 4.590 3.960 0.000 0.000 0.275 260 G HA3 0.630 4.590 3.960 0.000 0.000 0.275 260 G C -0.272 174.806 174.900 0.297 0.000 1.196 260 G CA -0.727 44.559 45.100 0.310 0.000 0.908 260 G HN 0.843 nan 8.290 nan 0.000 0.524 261 I N -3.294 117.433 120.570 0.262 0.000 3.322 261 I HA 0.665 4.835 4.170 0.000 0.000 0.313 261 I C -0.445 175.686 176.117 0.025 0.000 1.129 261 I CA -1.126 60.206 61.300 0.054 0.000 0.963 261 I CB 2.180 40.112 38.000 -0.113 0.000 1.273 261 I HN 0.271 nan 8.210 nan 0.000 0.473 262 S N 1.394 117.029 115.700 -0.109 0.000 2.409 262 S HA 0.336 4.806 4.470 0.000 0.000 0.308 262 S C 0.082 174.589 174.600 -0.156 0.000 1.080 262 S CA -0.432 57.719 58.200 -0.080 0.000 1.081 262 S CB -0.122 63.032 63.200 -0.076 0.000 1.009 262 S HN 0.576 nan 8.310 nan 0.000 0.502 263 Y N 2.134 122.445 120.300 0.018 0.000 2.314 263 Y HA 0.157 4.707 4.550 0.000 0.000 0.293 263 Y C 0.818 176.716 175.900 -0.003 0.000 1.129 263 Y CA 0.676 58.755 58.100 -0.036 0.000 1.201 263 Y CB 0.120 38.506 38.460 -0.123 0.000 0.999 263 Y HN 0.417 nan 8.280 nan 0.000 0.541 264 L N -0.893 120.439 121.223 0.181 0.000 2.354 264 L HA 0.286 4.626 4.340 0.000 0.000 0.264 264 L C -1.709 175.236 176.870 0.126 0.000 1.008 264 L CA -2.250 52.686 54.840 0.160 0.000 0.819 264 L CB 2.047 44.206 42.059 0.167 0.000 1.339 264 L HN -0.278 nan 8.230 nan 0.000 0.420 265 P HA -0.206 nan 4.420 nan 0.000 0.216 265 P C 1.463 178.816 177.300 0.089 0.000 1.154 265 P CA 1.571 64.751 63.100 0.133 0.000 0.865 265 P CB 0.170 31.972 31.700 0.170 0.000 0.789 266 S N -2.306 113.449 115.700 0.092 0.000 2.481 266 S HA -0.067 4.403 4.470 0.000 0.000 0.231 266 S C 0.675 175.299 174.600 0.041 0.000 0.996 266 S CA 0.388 58.629 58.200 0.069 0.000 0.942 266 S CB -1.105 62.147 63.200 0.088 0.000 0.768 266 S HN 0.053 nan 8.310 nan 0.000 0.520 267 D N 3.746 124.165 120.400 0.033 0.000 2.458 267 D HA 0.208 4.848 4.640 0.000 0.000 0.243 267 D C -0.214 175.899 176.300 -0.311 0.000 1.146 267 D CA 0.465 54.406 54.000 -0.097 0.000 0.877 267 D CB 0.634 41.447 40.800 0.022 0.000 1.176 267 D HN 0.557 nan 8.370 nan 0.000 0.461 268 D N 1.180 121.216 120.400 -0.607 0.000 2.772 268 D HA 0.163 4.803 4.640 0.000 0.000 0.326 268 D C -2.762 173.209 176.300 -0.549 0.000 1.207 268 D CA -1.498 52.267 54.000 -0.391 0.000 0.777 268 D CB 0.654 41.385 40.800 -0.115 0.000 1.169 268 D HN 0.062 nan 8.370 nan 0.000 0.506 269 P HA 0.258 nan 4.420 nan 0.000 0.272 269 P C -2.490 174.763 177.300 -0.077 0.000 1.223 269 P CA -1.057 61.847 63.100 -0.326 0.000 0.784 269 P CB 0.248 31.875 31.700 -0.122 0.000 0.923 270 P HA 0.303 nan 4.420 nan 0.000 0.279 270 P C -2.472 174.847 177.300 0.031 0.000 1.239 270 P CA -1.833 61.294 63.100 0.045 0.000 0.789 270 P CB -0.983 30.769 31.700 0.087 0.000 0.933 271 P HA 0.001 nan 4.420 nan 0.000 0.265 271 P C 1.177 178.479 177.300 0.003 0.000 1.187 271 P CA -0.115 62.988 63.100 0.005 0.000 0.766 271 P CB 0.312 32.009 31.700 -0.004 0.000 0.820 272 I N 2.500 123.073 120.570 0.005 0.000 2.361 272 I HA -0.207 3.963 4.170 0.000 0.000 0.251 272 I C 1.889 177.949 176.117 -0.094 0.000 1.133 272 I CA 1.540 62.842 61.300 0.004 0.000 1.413 272 I CB -1.435 36.592 38.000 0.044 0.000 1.073 272 I HN 0.386 nan 8.210 nan 0.000 0.424 273 A N 0.000 122.768 122.820 -0.087 0.000 1.877 273 A HA -0.228 4.092 4.320 0.000 0.000 0.216 273 A C 2.288 179.789 177.584 -0.138 0.000 1.186 273 A CA 1.680 53.639 52.037 -0.131 0.000 0.620 273 A CB -0.663 18.290 19.000 -0.078 0.000 0.822 273 A HN 0.482 nan 8.150 nan 0.000 0.443 274 E N -0.865 119.289 120.200 -0.077 0.000 2.031 274 E HA -0.203 4.147 4.350 0.000 0.000 0.193 274 E C 1.974 178.536 176.600 -0.062 0.000 0.994 274 E CA 1.291 57.659 56.400 -0.054 0.000 0.800 274 E CB -0.258 29.432 29.700 -0.016 0.000 0.752 274 E HN 0.464 nan 8.360 nan 0.000 0.447 275 L N 0.836 122.032 121.223 -0.046 0.000 2.043 275 L HA -0.216 4.124 4.340 0.000 0.000 0.212 275 L C 2.100 178.906 176.870 -0.107 0.000 1.075 275 L CA 2.284 57.113 54.840 -0.020 0.000 0.752 275 L CB -0.610 41.472 42.059 0.038 0.000 0.891 275 L HN 0.081 nan 8.230 nan 0.000 0.432 276 A N -0.775 121.869 122.820 -0.293 0.000 1.897 276 A HA 0.026 4.346 4.320 0.000 0.000 0.215 276 A C 2.466 179.846 177.584 -0.340 0.000 1.181 276 A CA 1.548 53.209 52.037 -0.625 0.000 0.620 276 A CB -1.176 17.018 19.000 -1.343 0.000 0.821 276 A HN 0.572 nan 8.150 nan 0.000 0.443 277 A N 0.111 122.788 122.820 -0.238 0.000 1.892 277 A HA -0.251 4.069 4.320 0.000 0.000 0.218 277 A C 2.121 179.662 177.584 -0.072 0.000 1.188 277 A CA 2.148 54.107 52.037 -0.131 0.000 0.631 277 A CB -0.541 18.403 19.000 -0.093 0.000 0.822 277 A HN 0.552 nan 8.150 nan 0.000 0.447 278 K N -1.048 119.322 120.400 -0.051 0.000 1.991 278 K HA -0.118 4.202 4.320 0.000 0.000 0.212 278 K C 1.853 178.456 176.600 0.005 0.000 1.049 278 K CA 1.513 57.796 56.287 -0.007 0.000 0.932 278 K CB -0.430 32.082 32.500 0.020 0.000 0.717 278 K HN 0.313 nan 8.250 nan 0.000 0.441 279 L N 0.486 121.709 121.223 -0.000 0.000 2.081 279 L HA -0.172 4.168 4.340 0.000 0.000 0.212 279 L C 2.356 179.237 176.870 0.018 0.000 1.080 279 L CA 2.004 56.853 54.840 0.016 0.000 0.754 279 L CB -1.000 41.070 42.059 0.018 0.000 0.893 279 L HN 0.359 nan 8.230 nan 0.000 0.433 280 G N -2.372 106.427 108.800 -0.001 0.000 2.402 280 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 280 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 280 G C 1.586 176.492 174.900 0.009 0.000 1.162 280 G CA 1.127 46.232 45.100 0.008 0.000 0.777 280 G HN 0.344 nan 8.290 nan 0.000 0.539 281 T N 1.551 116.107 114.554 0.003 0.000 2.684 281 T HA -0.171 4.179 4.350 0.000 0.000 0.267 281 T C 2.332 177.045 174.700 0.021 0.000 1.036 281 T CA 1.384 63.490 62.100 0.010 0.000 1.148 281 T CB -0.228 68.644 68.868 0.008 0.000 0.863 281 T HN 0.489 nan 8.240 nan 0.000 0.436 282 I N -0.233 120.354 120.570 0.028 0.000 2.761 282 I HA 0.012 4.182 4.170 0.000 0.000 0.261 282 I C 1.983 178.124 176.117 0.039 0.000 1.198 282 I CA 0.834 62.158 61.300 0.040 0.000 1.482 282 I CB -0.335 37.695 38.000 0.051 0.000 1.100 282 I HN 0.028 nan 8.210 nan 0.000 0.445 283 V N 2.119 122.051 119.914 0.030 0.000 2.453 283 V HA -0.186 3.934 4.120 0.000 0.000 0.247 283 V C 2.967 179.075 176.094 0.023 0.000 1.048 283 V CA 1.998 64.313 62.300 0.024 0.000 1.049 283 V CB -0.493 31.341 31.823 0.018 0.000 0.672 283 V HN 0.708 nan 8.190 nan 0.000 0.457 284 S N -0.307 115.407 115.700 0.022 0.000 2.377 284 S HA -0.180 4.290 4.470 0.000 0.000 0.223 284 S C 1.687 176.301 174.600 0.023 0.000 1.030 284 S CA 1.185 59.397 58.200 0.020 0.000 0.970 284 S CB -0.488 62.722 63.200 0.017 0.000 0.830 284 S HN 0.494 nan 8.310 nan 0.000 0.473 285 D N 1.585 122.001 120.400 0.028 0.000 2.149 285 D HA -0.074 4.566 4.640 0.000 0.000 0.198 285 D C 1.970 178.295 176.300 0.042 0.000 0.990 285 D CA 1.452 55.472 54.000 0.033 0.000 0.839 285 D CB -0.353 40.469 40.800 0.036 0.000 0.948 285 D HN 0.534 nan 8.370 nan 0.000 0.460 286 E N -0.144 120.085 120.200 0.048 0.000 2.216 286 E HA -0.049 4.301 4.350 0.000 0.000 0.192 286 E C 1.940 178.557 176.600 0.028 0.000 0.988 286 E CA 0.793 57.229 56.400 0.060 0.000 0.834 286 E CB 0.140 29.883 29.700 0.072 0.000 0.772 286 E HN 0.224 nan 8.360 nan 0.000 0.479 287 S N -1.420 114.292 115.700 0.019 0.000 2.439 287 S HA -0.094 4.376 4.470 0.000 0.000 0.224 287 S C 2.160 176.768 174.600 0.013 0.000 1.029 287 S CA 0.918 59.124 58.200 0.009 0.000 0.946 287 S CB -0.581 62.625 63.200 0.010 0.000 0.797 287 S HN 0.362 nan 8.310 nan 0.000 0.504 288 T N 1.015 115.581 114.554 0.019 0.000 2.770 288 T HA 0.164 4.514 4.350 0.000 0.000 0.263 288 T C 1.891 176.604 174.700 0.021 0.000 1.039 288 T CA 0.926 63.037 62.100 0.019 0.000 1.142 288 T CB -0.999 67.880 68.868 0.019 0.000 0.868 288 T HN 0.504 nan 8.240 nan 0.000 0.435 289 A N 0.193 123.029 122.820 0.027 0.000 2.292 289 A HA 0.292 4.612 4.320 0.000 0.000 0.205 289 A C 1.915 179.516 177.584 0.029 0.000 1.243 289 A CA 0.819 52.876 52.037 0.033 0.000 0.783 289 A CB -0.763 18.264 19.000 0.045 0.000 0.760 289 A HN 0.509 nan 8.150 nan 0.000 0.498 290 V N -1.800 118.123 119.914 0.016 0.000 3.372 290 V HA 0.432 4.552 4.120 0.000 0.000 0.304 290 V C 0.977 177.077 176.094 0.010 0.000 1.530 290 V CA 0.793 63.097 62.300 0.008 0.000 1.080 290 V CB -0.047 31.769 31.823 -0.012 0.000 0.929 290 V HN 1.263 nan 8.190 nan 0.000 0.455 291 G N 1.736 110.544 108.800 0.014 0.000 2.303 291 G HA2 -0.139 3.821 3.960 0.000 0.000 0.260 291 G HA3 -0.139 3.821 3.960 0.000 0.000 0.260 291 G C -0.861 174.048 174.900 0.016 0.000 1.106 291 G CA 0.449 45.558 45.100 0.015 0.000 0.900 291 G HN 0.492 nan 8.290 nan 0.000 0.495 292 L N 0.500 121.732 121.223 0.015 0.000 2.513 292 L HA 0.650 4.990 4.340 0.000 0.000 0.261 292 L C -2.186 174.694 176.870 0.016 0.000 0.945 292 L CA -2.284 52.566 54.840 0.017 0.000 0.848 292 L CB 2.347 44.416 42.059 0.015 0.000 1.334 292 L HN 0.008 nan 8.230 nan 0.000 0.407 293 P HA 0.108 nan 4.420 nan 0.000 0.267 293 P C -0.388 176.922 177.300 0.017 0.000 1.205 293 P CA -0.176 62.935 63.100 0.018 0.000 0.765 293 P CB 0.176 31.887 31.700 0.019 0.000 0.828 294 T N 2.558 117.122 114.554 0.017 0.000 2.905 294 T HA 0.161 4.511 4.350 0.000 0.000 0.299 294 T C -2.050 172.660 174.700 0.017 0.000 1.024 294 T CA -0.818 61.292 62.100 0.017 0.000 1.151 294 T CB -0.880 67.999 68.868 0.017 0.000 0.987 294 T HN 0.272 nan 8.240 nan 0.000 0.535 295 P HA 0.384 nan 4.420 nan 0.000 0.281 295 P C -0.623 176.686 177.300 0.015 0.000 1.281 295 P CA -1.122 61.987 63.100 0.015 0.000 0.811 295 P CB 0.587 32.293 31.700 0.010 0.000 1.154 296 K N 0.372 120.780 120.400 0.015 0.000 2.237 296 K HA 0.356 4.676 4.320 0.000 0.000 0.270 296 K C -0.423 176.177 176.600 -0.000 0.000 1.015 296 K CA -0.590 55.707 56.287 0.017 0.000 0.949 296 K CB 0.463 32.977 32.500 0.023 0.000 0.976 296 K HN 0.349 nan 8.250 nan 0.000 0.472 297 L N 3.984 125.215 121.223 0.013 0.000 2.276 297 L HA 0.317 4.657 4.340 0.000 0.000 0.286 297 L C -1.203 175.619 176.870 -0.080 0.000 1.061 297 L CA -0.862 53.971 54.840 -0.011 0.000 0.807 297 L CB 1.315 43.415 42.059 0.068 0.000 1.177 297 L HN 0.576 nan 8.230 nan 0.000 0.429 298 V N 5.718 125.525 119.914 -0.179 0.000 2.540 298 V HA 0.480 4.600 4.120 0.000 0.000 0.302 298 V C -0.083 175.765 176.094 -0.411 0.000 1.035 298 V CA -0.555 61.553 62.300 -0.321 0.000 0.873 298 V CB 2.209 33.810 31.823 -0.370 0.000 0.992 298 V HN 0.610 nan 8.190 nan 0.000 0.428 299 V N 2.055 121.635 119.914 -0.557 0.000 3.046 299 V HA 0.723 4.843 4.120 0.000 0.000 0.316 299 V C -0.375 175.491 176.094 -0.379 0.000 1.104 299 V CA -0.715 61.284 62.300 -0.503 0.000 1.006 299 V CB 2.278 33.682 31.823 -0.698 0.000 1.058 299 V HN 0.859 nan 8.190 nan 0.000 0.440 300 E N 1.989 122.049 120.200 -0.233 0.000 4.052 300 E HA 0.329 4.679 4.350 0.000 0.000 0.219 300 E C -2.748 173.796 176.600 -0.093 0.000 1.166 300 E CA -1.643 54.678 56.400 -0.131 0.000 1.338 300 E CB 1.000 30.639 29.700 -0.102 0.000 1.212 300 E HN 0.686 nan 8.360 nan 0.000 0.432 301 P HA -0.036 nan 4.420 nan 0.000 0.265 301 P C 0.352 177.635 177.300 -0.029 0.000 1.193 301 P CA 0.435 63.528 63.100 -0.011 0.000 0.765 301 P CB 1.788 33.500 31.700 0.020 0.000 0.823 302 G N 3.305 112.094 108.800 -0.019 0.000 2.710 302 G HA2 -0.037 3.923 3.960 0.000 0.000 0.215 302 G HA3 -0.037 3.923 3.960 0.000 0.000 0.215 302 G C 1.449 176.381 174.900 0.055 0.000 1.345 302 G CA -0.033 45.003 45.100 -0.106 0.000 0.812 302 G HN 0.447 nan 8.290 nan 0.000 0.606 303 R N 0.662 121.250 120.500 0.147 0.000 2.105 303 R HA 0.028 4.368 4.340 0.000 0.000 0.239 303 R C 2.409 178.771 176.300 0.103 0.000 1.135 303 R CA 1.571 57.780 56.100 0.182 0.000 0.967 303 R CB -0.315 30.166 30.300 0.301 0.000 0.861 303 R HN 0.286 nan 8.270 nan 0.000 0.442 304 A N -0.078 122.795 122.820 0.089 0.000 2.235 304 A HA 0.078 4.398 4.320 0.000 0.000 0.208 304 A C 1.689 179.275 177.584 0.004 0.000 1.172 304 A CA 0.490 52.559 52.037 0.054 0.000 0.786 304 A CB -0.071 18.975 19.000 0.078 0.000 0.804 304 A HN 0.357 nan 8.150 nan 0.000 0.479 305 I N -2.018 118.539 120.570 -0.020 0.000 3.194 305 I HA 0.061 4.231 4.170 0.000 0.000 0.271 305 I C 2.420 178.323 176.117 -0.356 0.000 1.150 305 I CA 0.914 62.098 61.300 -0.195 0.000 1.440 305 I CB 0.052 37.961 38.000 -0.151 0.000 1.276 305 I HN 0.236 nan 8.210 nan 0.000 0.457 306 A N 0.474 123.223 122.820 -0.119 0.000 2.238 306 A HA 0.259 4.579 4.320 0.000 0.000 0.210 306 A C 2.017 179.665 177.584 0.105 0.000 1.179 306 A CA 0.938 52.998 52.037 0.038 0.000 0.827 306 A CB -0.603 18.610 19.000 0.356 0.000 0.856 306 A HN 0.416 nan 8.150 nan 0.000 0.488 307 G N 0.703 109.532 108.800 0.049 0.000 2.473 307 G HA2 0.039 3.999 3.960 0.000 0.000 0.212 307 G HA3 0.039 3.999 3.960 0.000 0.000 0.212 307 G C -0.466 174.432 174.900 -0.003 0.000 1.211 307 G CA 0.831 45.956 45.100 0.042 0.000 0.813 307 G HN 0.421 nan 8.290 nan 0.000 0.541 308 P HA 0.021 nan 4.420 nan 0.000 0.218 308 P C 2.018 179.319 177.300 0.002 0.000 1.149 308 P CA 1.565 64.626 63.100 -0.064 0.000 0.817 308 P CB -0.297 31.368 31.700 -0.058 0.000 0.785 309 G N -1.046 107.791 108.800 0.062 0.000 2.443 309 G HA2 -0.115 3.845 3.960 0.000 0.000 0.219 309 G HA3 -0.115 3.845 3.960 0.000 0.000 0.219 309 G C 0.618 175.594 174.900 0.127 0.000 1.131 309 G CA 0.997 46.170 45.100 0.121 0.000 0.775 309 G HN 0.419 nan 8.290 nan 0.000 0.547 310 T N -0.717 113.903 114.554 0.109 0.000 2.888 310 T HA 0.616 4.966 4.350 0.000 0.000 0.284 310 T C -0.510 174.228 174.700 0.064 0.000 1.017 310 T CA -0.921 61.241 62.100 0.104 0.000 1.022 310 T CB 1.820 70.748 68.868 0.100 0.000 1.013 310 T HN 0.474 nan 8.240 nan 0.000 0.465 311 I N 0.050 120.650 120.570 0.050 0.000 2.934 311 I HA 0.784 4.954 4.170 0.000 0.000 0.306 311 I C -0.587 175.459 176.117 -0.117 0.000 1.110 311 I CA -0.761 60.525 61.300 -0.023 0.000 1.019 311 I CB 2.389 40.416 38.000 0.045 0.000 1.227 311 I HN 0.534 nan 8.210 nan 0.000 0.434 312 T N 4.921 119.324 114.554 -0.251 0.000 2.807 312 T HA 0.631 4.981 4.350 0.000 0.000 0.279 312 T C -0.924 173.484 174.700 -0.488 0.000 0.993 312 T CA -0.250 61.511 62.100 -0.565 0.000 0.970 312 T CB 1.317 69.676 68.868 -0.849 0.000 0.950 312 T HN 0.598 nan 8.240 nan 0.000 0.441 313 L N 4.353 125.285 121.223 -0.484 0.000 2.296 313 L HA 0.652 4.992 4.340 0.000 0.000 0.286 313 L C -1.661 175.019 176.870 -0.316 0.000 1.023 313 L CA -0.420 54.272 54.840 -0.246 0.000 0.812 313 L CB 0.443 42.444 42.059 -0.096 0.000 1.223 313 L HN 0.580 nan 8.230 nan 0.000 0.421 314 Y N 2.133 122.424 120.300 -0.015 0.000 2.602 314 Y HA 0.523 5.073 4.550 0.000 0.000 0.342 314 Y C -0.252 175.653 175.900 0.008 0.000 1.029 314 Y CA -0.816 57.276 58.100 -0.013 0.000 1.080 314 Y CB 1.681 40.130 38.460 -0.020 0.000 1.284 314 Y HN 0.497 nan 8.280 nan 0.000 0.485 315 E N 1.231 121.555 120.200 0.206 0.000 2.145 315 E HA 0.441 4.791 4.350 0.000 0.000 0.270 315 E C -1.303 175.344 176.600 0.078 0.000 0.906 315 E CA -0.648 55.821 56.400 0.115 0.000 0.761 315 E CB 1.295 31.043 29.700 0.081 0.000 1.116 315 E HN 0.470 nan 8.360 nan 0.000 0.408 316 V N 3.911 123.859 119.914 0.057 0.000 2.617 316 V HA 0.030 4.150 4.120 0.000 0.000 0.304 316 V C 1.158 177.266 176.094 0.023 0.000 1.040 316 V CA 1.251 63.568 62.300 0.028 0.000 1.149 316 V CB 1.089 32.930 31.823 0.029 0.000 0.914 316 V HN 0.951 nan 8.190 nan 0.000 0.487 317 G N 3.471 112.278 108.800 0.011 0.000 2.780 317 G HA2 0.271 4.231 3.960 0.000 0.000 0.198 317 G HA3 0.271 4.231 3.960 0.000 0.000 0.198 317 G C 0.382 175.286 174.900 0.007 0.000 1.067 317 G CA 0.337 45.442 45.100 0.009 0.000 0.765 317 G HN 0.629 nan 8.290 nan 0.000 0.581 318 T N 0.058 114.617 114.554 0.007 0.000 2.916 318 T HA 0.580 4.930 4.350 0.000 0.000 0.305 318 T C -1.499 173.215 174.700 0.023 0.000 1.119 318 T CA -0.286 61.821 62.100 0.011 0.000 1.008 318 T CB 2.889 71.760 68.868 0.006 0.000 1.129 318 T HN -0.006 nan 8.240 nan 0.000 0.480 319 V N 2.899 122.830 119.914 0.028 0.000 2.524 319 V HA 0.602 4.722 4.120 0.000 0.000 0.297 319 V C -0.448 175.674 176.094 0.046 0.000 1.035 319 V CA -0.759 61.566 62.300 0.041 0.000 0.867 319 V CB 1.807 33.650 31.823 0.034 0.000 1.004 319 V HN 0.763 nan 8.190 nan 0.000 0.426 320 K N 2.748 123.192 120.400 0.073 0.000 2.471 320 K HA 0.512 4.832 4.320 0.000 0.000 0.252 320 K C -1.467 175.198 176.600 0.108 0.000 0.938 320 K CA -0.640 55.685 56.287 0.064 0.000 0.796 320 K CB 2.110 34.623 32.500 0.022 0.000 1.161 320 K HN 0.691 nan 8.250 nan 0.000 0.425 321 D N 2.695 123.152 120.400 0.094 0.000 2.295 321 D HA 0.235 4.875 4.640 0.000 0.000 0.248 321 D C -1.153 175.242 176.300 0.158 0.000 1.154 321 D CA -0.158 53.929 54.000 0.144 0.000 0.857 321 D CB 1.151 42.026 40.800 0.124 0.000 1.117 321 D HN 0.107 nan 8.370 nan 0.000 0.468 322 V N 4.906 124.937 119.914 0.194 0.000 2.409 322 V HA 0.221 4.341 4.120 0.000 0.000 0.291 322 V C -0.240 175.885 176.094 0.052 0.000 1.020 322 V CA -1.023 61.336 62.300 0.098 0.000 0.848 322 V CB 1.703 33.541 31.823 0.026 0.000 0.990 322 V HN 0.591 nan 8.190 nan 0.000 0.430 323 D N 4.816 125.167 120.400 -0.081 0.000 2.348 323 D HA 0.132 4.772 4.640 0.000 0.000 0.253 323 D C 0.723 176.934 176.300 -0.148 0.000 1.161 323 D CA -0.185 53.641 54.000 -0.291 0.000 0.876 323 D CB 2.173 42.789 40.800 -0.307 0.000 1.160 323 D HN 0.433 nan 8.370 nan 0.000 0.459 324 V N -0.157 119.673 119.914 -0.139 0.000 3.432 324 V HA 0.241 4.361 4.120 0.000 0.000 0.298 324 V C 0.407 176.467 176.094 -0.058 0.000 1.464 324 V CA 0.675 62.941 62.300 -0.057 0.000 1.046 324 V CB -0.405 31.412 31.823 -0.011 0.000 0.887 324 V HN 0.768 nan 8.190 nan 0.000 0.441 325 S N -0.727 114.920 115.700 -0.089 0.000 2.800 325 S HA 0.793 5.263 4.470 0.000 0.000 0.293 325 S C 0.854 175.412 174.600 -0.070 0.000 1.209 325 S CA 0.176 58.342 58.200 -0.057 0.000 0.884 325 S CB 0.954 64.138 63.200 -0.026 0.000 1.244 325 S HN 1.040 nan 8.310 nan 0.000 0.540 326 A N 0.429 123.228 122.820 -0.035 0.000 2.067 326 A HA 0.205 4.525 4.320 0.000 0.000 0.217 326 A C 1.930 179.507 177.584 -0.011 0.000 1.156 326 A CA 1.952 53.974 52.037 -0.025 0.000 0.683 326 A CB -1.244 17.752 19.000 -0.007 0.000 0.808 326 A HN 1.271 nan 8.150 nan 0.000 0.455 327 T N -3.567 110.989 114.554 0.003 0.000 3.026 327 T HA 0.570 4.920 4.350 0.000 0.000 0.245 327 T C 0.944 175.703 174.700 0.099 0.000 1.004 327 T CA 0.491 62.622 62.100 0.052 0.000 1.069 327 T CB -0.358 68.543 68.868 0.054 0.000 1.005 327 T HN 0.509 nan 8.240 nan 0.000 0.472 328 A N 1.546 124.392 122.820 0.042 0.000 2.286 328 A HA 0.657 4.977 4.320 0.000 0.000 0.286 328 A C -0.349 177.206 177.584 -0.048 0.000 1.097 328 A CA -0.647 51.447 52.037 0.095 0.000 0.821 328 A CB 0.340 19.374 19.000 0.057 0.000 1.076 328 A HN 0.597 nan 8.150 nan 0.000 0.490 329 H N -0.118 118.969 119.070 0.028 0.000 2.855 329 H HA 0.607 5.163 4.556 0.000 0.000 0.363 329 H C -0.769 174.572 175.328 0.022 0.000 1.185 329 H CA -0.773 55.295 56.048 0.034 0.000 1.174 329 H CB 1.935 31.719 29.762 0.037 0.000 1.857 329 H HN 0.708 nan 8.280 nan 0.000 0.565 330 R N 1.360 121.962 120.500 0.168 0.000 2.514 330 R HA 0.228 4.568 4.340 0.000 0.000 0.296 330 R C -1.082 175.292 176.300 0.124 0.000 1.012 330 R CA -0.926 55.217 56.100 0.072 0.000 0.897 330 R CB 1.593 31.908 30.300 0.025 0.000 1.184 330 R HN 0.447 nan 8.270 nan 0.000 0.440 331 R N 3.790 124.304 120.500 0.023 0.000 2.272 331 R HA 0.127 4.467 4.340 0.000 0.000 0.334 331 R C -1.416 174.879 176.300 -0.008 0.000 1.117 331 R CA -0.013 56.118 56.100 0.052 0.000 0.966 331 R CB -0.156 30.155 30.300 0.018 0.000 1.049 331 R HN 0.425 nan 8.270 nan 0.000 0.477 332 Y N 3.856 124.149 120.300 -0.012 0.000 2.486 332 Y HA 0.156 4.706 4.550 0.000 0.000 0.348 332 Y C 0.347 176.235 175.900 -0.021 0.000 1.000 332 Y CA -0.177 57.910 58.100 -0.021 0.000 1.253 332 Y CB 1.143 39.592 38.460 -0.018 0.000 1.140 332 Y HN 0.336 nan 8.280 nan 0.000 0.526 333 V N 2.406 122.350 119.914 0.049 0.000 2.334 333 V HA 0.579 4.699 4.120 0.000 0.000 0.281 333 V C -0.263 175.831 176.094 0.001 0.000 1.016 333 V CA -0.360 61.956 62.300 0.026 0.000 0.832 333 V CB 1.059 32.885 31.823 0.004 0.000 0.999 333 V HN 0.641 nan 8.190 nan 0.000 0.439 334 S N 4.512 120.219 115.700 0.011 0.000 2.554 334 S HA 0.763 5.233 4.470 0.000 0.000 0.278 334 S C -0.258 174.309 174.600 -0.055 0.000 1.242 334 S CA -0.333 57.858 58.200 -0.016 0.000 1.051 334 S CB 1.655 64.857 63.200 0.003 0.000 0.986 334 S HN 0.882 nan 8.310 nan 0.000 0.502 335 V N 1.494 121.341 119.914 -0.111 0.000 3.155 335 V HA 0.298 4.418 4.120 0.000 0.000 0.313 335 V C 0.526 176.568 176.094 -0.087 0.000 1.162 335 V CA -0.602 61.608 62.300 -0.151 0.000 1.048 335 V CB 2.205 33.783 31.823 -0.408 0.000 1.092 335 V HN 0.861 nan 8.190 nan 0.000 0.447 336 D N 0.417 120.828 120.400 0.017 0.000 2.263 336 D HA 0.050 4.689 4.640 0.000 0.000 0.208 336 D C 0.730 177.100 176.300 0.117 0.000 0.971 336 D CA 1.532 55.597 54.000 0.109 0.000 0.867 336 D CB 0.310 41.252 40.800 0.237 0.000 0.929 336 D HN 0.680 nan 8.370 nan 0.000 0.492 337 G N -1.871 107.018 108.800 0.148 0.000 3.259 337 G HA2 0.577 4.537 3.960 0.000 0.000 0.193 337 G HA3 0.577 4.537 3.960 0.000 0.000 0.193 337 G C 0.296 175.295 174.900 0.164 0.000 1.457 337 G CA 0.327 45.554 45.100 0.212 0.000 0.771 337 G HN 0.493 nan 8.290 nan 0.000 0.765 338 G N -1.072 107.874 108.800 0.243 0.000 2.260 338 G HA2 0.231 4.191 3.960 0.000 0.000 0.250 338 G HA3 0.231 4.191 3.960 0.000 0.000 0.250 338 G C 1.135 176.153 174.900 0.197 0.000 1.340 338 G CA 0.588 45.838 45.100 0.249 0.000 1.056 338 G HN 1.304 nan 8.290 nan 0.000 0.471 339 M N 0.749 120.391 119.600 0.070 0.000 2.346 339 M HA 0.020 4.500 4.480 0.000 0.000 0.263 339 M C 2.385 178.634 176.300 -0.085 0.000 1.064 339 M CA 3.115 58.377 55.300 -0.063 0.000 1.083 339 M CB -0.785 31.737 32.600 -0.129 0.000 1.399 339 M HN 1.161 nan 8.290 nan 0.000 0.435 340 S N 2.067 117.707 115.700 -0.100 0.000 2.387 340 S HA -0.256 4.214 4.470 0.000 0.000 0.230 340 S C 1.192 175.871 174.600 0.131 0.000 1.035 340 S CA 1.939 60.195 58.200 0.093 0.000 1.014 340 S CB -0.920 62.491 63.200 0.352 0.000 0.836 340 S HN 0.864 nan 8.310 nan 0.000 0.466 341 D N -0.895 119.615 120.400 0.184 0.000 2.433 341 D HA 0.231 4.871 4.640 0.000 0.000 0.211 341 D C 0.205 176.641 176.300 0.227 0.000 1.114 341 D CA -0.425 53.706 54.000 0.220 0.000 0.837 341 D CB 0.036 40.987 40.800 0.251 0.000 0.984 341 D HN 0.298 nan 8.370 nan 0.000 0.505 342 N N 0.494 119.286 118.700 0.154 0.000 2.839 342 N HA 0.092 4.832 4.740 0.000 0.000 0.230 342 N C -0.967 174.594 175.510 0.084 0.000 1.388 342 N CA -0.370 52.757 53.050 0.128 0.000 0.747 342 N CB 0.815 39.329 38.487 0.046 0.000 1.411 342 N HN 0.149 nan 8.380 nan 0.000 0.556 343 I N 1.890 122.502 120.570 0.070 0.000 3.684 343 I HA 0.218 4.388 4.170 0.000 0.000 0.304 343 I C 1.858 177.963 176.117 -0.020 0.000 1.278 343 I CA 0.479 61.770 61.300 -0.015 0.000 1.272 343 I CB 0.111 38.072 38.000 -0.064 0.000 1.029 343 I HN 0.316 nan 8.210 nan 0.000 0.458 344 R N -0.579 119.990 120.500 0.115 0.000 2.092 344 R HA -0.099 4.241 4.340 0.000 0.000 0.231 344 R C 1.968 178.339 176.300 0.119 0.000 1.119 344 R CA 1.829 58.039 56.100 0.182 0.000 0.970 344 R CB -0.525 30.012 30.300 0.395 0.000 0.864 344 R HN 0.337 nan 8.270 nan 0.000 0.440 345 T N 0.761 115.407 114.554 0.153 0.000 2.701 345 T HA -0.113 4.237 4.350 0.000 0.000 0.263 345 T C 1.895 176.601 174.700 0.010 0.000 1.040 345 T CA 1.495 63.657 62.100 0.105 0.000 1.147 345 T CB -0.178 68.772 68.868 0.137 0.000 0.865 345 T HN 0.357 nan 8.240 nan 0.000 0.426 346 A N 0.772 123.577 122.820 -0.025 0.000 1.930 346 A HA 0.064 4.384 4.320 0.000 0.000 0.217 346 A C 2.213 179.721 177.584 -0.126 0.000 1.175 346 A CA 1.143 53.140 52.037 -0.065 0.000 0.627 346 A CB -0.606 18.351 19.000 -0.072 0.000 0.815 346 A HN 0.407 nan 8.150 nan 0.000 0.443 347 L N -2.250 118.835 121.223 -0.229 0.000 2.127 347 L HA 0.091 4.431 4.340 0.000 0.000 0.203 347 L C 1.618 178.223 176.870 -0.442 0.000 1.080 347 L CA 1.706 56.289 54.840 -0.428 0.000 0.768 347 L CB -0.286 41.357 42.059 -0.694 0.000 0.924 347 L HN 0.470 nan 8.230 nan 0.000 0.444 348 Y N -1.040 119.223 120.300 -0.062 0.000 2.500 348 Y HA 0.443 4.993 4.550 0.000 0.000 0.246 348 Y C 1.514 177.347 175.900 -0.112 0.000 1.146 348 Y CA -0.154 57.886 58.100 -0.100 0.000 1.230 348 Y CB 0.315 38.698 38.460 -0.129 0.000 1.214 348 Y HN 0.147 nan 8.280 nan 0.000 0.526 349 G N 1.580 110.393 108.800 0.023 0.000 2.273 349 G HA2 -0.226 3.734 3.960 0.000 0.000 0.280 349 G HA3 -0.226 3.734 3.960 0.000 0.000 0.280 349 G C 0.321 175.195 174.900 -0.043 0.000 1.047 349 G CA 0.103 45.196 45.100 -0.012 0.000 0.869 349 G HN 0.595 nan 8.290 nan 0.000 0.502 350 A N -0.855 121.937 122.820 -0.047 0.000 2.366 350 A HA 0.675 4.995 4.320 0.000 0.000 0.249 350 A C 0.524 177.990 177.584 -0.197 0.000 1.084 350 A CA 0.330 52.238 52.037 -0.215 0.000 0.794 350 A CB 0.431 19.230 19.000 -0.336 0.000 1.034 350 A HN 0.663 nan 8.150 nan 0.000 0.491 351 Q N -0.304 119.298 119.800 -0.329 0.000 2.337 351 Q HA 0.559 4.899 4.340 0.000 0.000 0.270 351 Q C -1.813 174.038 176.000 -0.249 0.000 1.043 351 Q CA -0.161 55.549 55.803 -0.155 0.000 0.794 351 Q CB 2.101 30.808 28.738 -0.051 0.000 1.281 351 Q HN 0.736 nan 8.270 nan 0.000 0.446 352 Y N -0.132 120.201 120.300 0.055 0.000 2.650 352 Y HA 0.382 4.932 4.550 0.000 0.000 0.331 352 Y C -0.318 175.659 175.900 0.128 0.000 1.082 352 Y CA -0.887 57.287 58.100 0.122 0.000 1.171 352 Y CB 1.635 40.159 38.460 0.106 0.000 1.326 352 Y HN 0.525 nan 8.280 nan 0.000 0.513 353 D N 0.719 121.311 120.400 0.320 0.000 2.278 353 D HA 0.445 5.085 4.640 0.000 0.000 0.245 353 D C -1.617 174.858 176.300 0.291 0.000 1.052 353 D CA -0.224 53.940 54.000 0.274 0.000 0.834 353 D CB 1.792 42.737 40.800 0.242 0.000 1.194 353 D HN 0.325 nan 8.370 nan 0.000 0.481 354 V N 4.220 124.319 119.914 0.308 0.000 2.735 354 V HA 0.762 4.882 4.120 0.000 0.000 0.310 354 V C -1.171 175.119 176.094 0.327 0.000 1.061 354 V CA -0.554 61.927 62.300 0.302 0.000 0.913 354 V CB 1.787 33.724 31.823 0.189 0.000 1.005 354 V HN 0.607 nan 8.190 nan 0.000 0.428 355 R N 3.509 124.211 120.500 0.336 0.000 2.651 355 R HA 0.588 4.928 4.340 0.000 0.000 0.278 355 R C -1.504 174.870 176.300 0.122 0.000 1.010 355 R CA -0.706 55.514 56.100 0.200 0.000 0.896 355 R CB 1.918 32.278 30.300 0.100 0.000 1.211 355 R HN 0.788 nan 8.270 nan 0.000 0.456 356 L N 4.551 125.818 121.223 0.073 0.000 2.418 356 L HA 0.154 4.494 4.340 0.000 0.000 0.274 356 L C 0.390 177.267 176.870 0.012 0.000 1.135 356 L CA 0.527 55.398 54.840 0.051 0.000 0.870 356 L CB 1.276 43.360 42.059 0.043 0.000 1.154 356 L HN 0.686 nan 8.230 nan 0.000 0.462 357 V N 0.346 120.274 119.914 0.022 0.000 3.604 357 V HA 0.160 4.280 4.120 0.000 0.000 0.277 357 V C 1.456 177.551 176.094 0.003 0.000 1.399 357 V CA 0.803 63.099 62.300 -0.006 0.000 1.034 357 V CB -0.118 31.712 31.823 0.011 0.000 0.824 357 V HN 0.851 nan 8.190 nan 0.000 0.439 358 S N 1.333 117.044 115.700 0.018 0.000 2.527 358 S HA 0.200 4.670 4.470 0.000 0.000 0.222 358 S C 0.948 175.554 174.600 0.009 0.000 0.985 358 S CA 0.362 58.573 58.200 0.018 0.000 0.921 358 S CB -0.181 63.035 63.200 0.028 0.000 0.772 358 S HN 0.946 nan 8.310 nan 0.000 0.529 359 R N -1.114 119.389 120.500 0.004 0.000 2.764 359 R HA 0.552 4.892 4.340 0.000 0.000 0.276 359 R C -2.239 174.058 176.300 -0.005 0.000 1.021 359 R CA -0.881 55.219 56.100 -0.000 0.000 0.870 359 R CB 0.682 30.985 30.300 0.006 0.000 1.293 359 R HN -0.002 nan 8.270 nan 0.000 0.469 360 V N 1.185 121.095 119.914 -0.006 0.000 2.427 360 V HA 0.412 4.532 4.120 0.000 0.000 0.286 360 V C -0.115 175.980 176.094 0.002 0.000 1.034 360 V CA -0.424 61.872 62.300 -0.007 0.000 0.893 360 V CB 1.458 33.274 31.823 -0.011 0.000 0.982 360 V HN 0.723 nan 8.190 nan 0.000 0.452 361 S N 2.205 117.909 115.700 0.007 0.000 2.509 361 S HA 0.356 4.826 4.470 0.000 0.000 0.297 361 S C 0.382 174.989 174.600 0.011 0.000 1.118 361 S CA -0.726 57.482 58.200 0.012 0.000 1.074 361 S CB 1.163 64.375 63.200 0.021 0.000 1.038 361 S HN 0.780 nan 8.310 nan 0.000 0.498 362 D N 2.469 122.875 120.400 0.010 0.000 2.349 362 D HA 0.212 4.852 4.640 0.000 0.000 0.214 362 D C 0.680 176.987 176.300 0.011 0.000 1.063 362 D CA 0.165 54.169 54.000 0.008 0.000 0.847 362 D CB 0.282 41.084 40.800 0.005 0.000 0.933 362 D HN 0.569 nan 8.370 nan 0.000 0.513 363 A N 2.468 125.299 122.820 0.017 0.000 2.351 363 A HA 0.407 4.727 4.320 0.000 0.000 0.257 363 A C -2.133 175.468 177.584 0.028 0.000 1.087 363 A CA -0.956 51.094 52.037 0.022 0.000 0.798 363 A CB 0.111 19.127 19.000 0.026 0.000 1.033 363 A HN -0.092 nan 8.150 nan 0.000 0.488 364 P HA 0.227 nan 4.420 nan 0.000 0.272 364 P C -2.735 174.605 177.300 0.066 0.000 1.223 364 P CA -1.259 61.862 63.100 0.035 0.000 0.784 364 P CB -0.160 31.559 31.700 0.030 0.000 0.923 365 P HA 0.083 nan 4.420 nan 0.000 0.268 365 P C -0.611 176.857 177.300 0.279 0.000 1.205 365 P CA 0.277 63.476 63.100 0.166 0.000 0.771 365 P CB 0.621 32.354 31.700 0.054 0.000 0.858 366 V N 5.083 125.212 119.914 0.359 0.000 2.789 366 V HA 0.387 4.507 4.120 0.000 0.000 0.311 366 V C -2.273 173.906 176.094 0.142 0.000 1.073 366 V CA -2.234 60.227 62.300 0.268 0.000 0.921 366 V CB 2.528 34.425 31.823 0.122 0.000 1.009 366 V HN 0.529 nan 8.190 nan 0.000 0.426 367 P HA 0.507 nan 4.420 nan 0.000 0.275 367 P C -0.981 176.123 177.300 -0.326 0.000 1.227 367 P CA -0.007 62.770 63.100 -0.538 0.000 0.781 367 P CB 1.483 32.955 31.700 -0.381 0.000 0.906 368 A N 3.082 125.657 122.820 -0.409 0.000 2.609 368 A HA 0.727 5.047 4.320 0.000 0.000 0.291 368 A C -0.968 176.410 177.584 -0.343 0.000 1.096 368 A CA -0.756 51.109 52.037 -0.286 0.000 0.684 368 A CB 1.755 20.654 19.000 -0.169 0.000 1.282 368 A HN 0.455 nan 8.150 nan 0.000 0.412 369 R N 0.639 120.896 120.500 -0.406 0.000 2.502 369 R HA 0.403 4.743 4.340 0.000 0.000 0.300 369 R C -1.811 174.328 176.300 -0.269 0.000 0.984 369 R CA -0.785 55.059 56.100 -0.427 0.000 0.882 369 R CB 1.688 31.490 30.300 -0.830 0.000 1.180 369 R HN 0.616 nan 8.270 nan 0.000 0.444 370 L N 5.700 126.827 121.223 -0.159 0.000 2.325 370 L HA 0.216 4.556 4.340 0.000 0.000 0.284 370 L C -0.228 176.577 176.870 -0.107 0.000 1.089 370 L CA -0.032 54.736 54.840 -0.119 0.000 0.836 370 L CB 0.935 42.932 42.059 -0.103 0.000 1.184 370 L HN 0.383 nan 8.230 nan 0.000 0.444 371 V N 2.443 122.314 119.914 -0.071 0.000 3.103 371 V HA 1.041 5.161 4.120 0.000 0.000 0.318 371 V C 0.317 176.374 176.094 -0.061 0.000 1.114 371 V CA -0.142 62.145 62.300 -0.022 0.000 1.020 371 V CB 1.182 33.062 31.823 0.094 0.000 1.085 371 V HN 0.690 nan 8.190 nan 0.000 0.446 372 G N 0.691 109.486 108.800 -0.009 0.000 2.795 372 G HA2 0.554 4.514 3.960 0.000 0.000 0.267 372 G HA3 0.554 4.514 3.960 0.000 0.000 0.267 372 G C -0.012 174.897 174.900 0.015 0.000 1.362 372 G CA -0.310 44.789 45.100 -0.002 0.000 1.048 372 G HN 1.103 nan 8.290 nan 0.000 0.547 373 K N -1.104 119.273 120.400 -0.038 0.000 2.399 373 K HA 0.314 4.634 4.320 0.000 0.000 0.204 373 K C -0.165 176.334 176.600 -0.167 0.000 1.023 373 K CA -0.293 55.927 56.287 -0.111 0.000 1.127 373 K CB 0.103 32.514 32.500 -0.149 0.000 0.856 373 K HN 0.437 nan 8.250 nan 0.000 0.514 374 H N -0.104 118.954 119.070 -0.020 0.000 2.551 374 H HA 0.164 4.720 4.556 0.000 0.000 0.358 374 H C -0.188 175.106 175.328 -0.058 0.000 1.151 374 H CA -0.646 55.365 56.048 -0.062 0.000 1.374 374 H CB 0.953 30.712 29.762 -0.004 0.000 1.473 374 H HN 0.157 nan 8.280 nan 0.000 0.574 375 C N 2.885 122.184 119.300 -0.001 0.000 3.506 375 C HA 0.119 4.579 4.460 0.000 0.000 0.578 375 C C 0.489 175.502 174.990 0.038 0.000 1.153 375 C CA 0.338 59.350 59.018 -0.010 0.000 1.248 375 C CB -2.409 25.300 27.740 -0.053 0.000 1.532 375 C HN 0.685 nan 8.230 nan 0.000 0.646 376 E N -0.584 119.670 120.200 0.090 0.000 2.311 376 E HA 0.190 4.540 4.350 0.000 0.000 0.281 376 E C 0.423 177.072 176.600 0.083 0.000 0.905 376 E CA -0.264 56.200 56.400 0.108 0.000 0.778 376 E CB 1.319 31.137 29.700 0.197 0.000 1.240 376 E HN 0.202 nan 8.360 nan 0.000 0.410 377 S N 2.150 117.882 115.700 0.053 0.000 2.419 377 S HA -0.085 4.385 4.470 0.000 0.000 0.233 377 S C 1.538 176.173 174.600 0.058 0.000 1.016 377 S CA 1.066 59.291 58.200 0.043 0.000 0.974 377 S CB 0.070 63.282 63.200 0.021 0.000 0.786 377 S HN 0.668 nan 8.310 nan 0.000 0.492 378 G N 1.132 109.963 108.800 0.051 0.000 2.848 378 G HA2 -0.062 3.898 3.960 0.000 0.000 0.208 378 G HA3 -0.062 3.898 3.960 0.000 0.000 0.208 378 G C 0.265 175.189 174.900 0.040 0.000 1.152 378 G CA -0.078 45.044 45.100 0.037 0.000 0.789 378 G HN 0.459 nan 8.290 nan 0.000 0.531 379 D N 0.981 121.423 120.400 0.069 0.000 2.598 379 D HA 0.141 4.781 4.640 0.000 0.000 0.231 379 D C 0.063 176.405 176.300 0.070 0.000 1.127 379 D CA -0.017 54.032 54.000 0.081 0.000 1.126 379 D CB -0.667 40.230 40.800 0.161 0.000 1.124 379 D HN 0.144 nan 8.370 nan 0.000 0.485 380 I N 3.110 123.704 120.570 0.041 0.000 2.465 380 I HA 0.241 4.411 4.170 0.000 0.000 0.291 380 I C 1.035 177.156 176.117 0.007 0.000 1.014 380 I CA -0.859 60.455 61.300 0.023 0.000 1.093 380 I CB 2.066 40.080 38.000 0.022 0.000 1.267 380 I HN 0.164 nan 8.210 nan 0.000 0.431 381 I N 5.021 125.576 120.570 -0.025 0.000 2.810 381 I HA 0.088 4.258 4.170 0.000 0.000 0.262 381 I C -0.040 176.081 176.117 0.007 0.000 1.131 381 I CA 0.733 62.009 61.300 -0.040 0.000 1.453 381 I CB 0.437 38.356 38.000 -0.135 0.000 1.161 381 I HN 0.217 nan 8.210 nan 0.000 0.444 382 V N 1.343 121.255 119.914 -0.004 0.000 2.447 382 V HA 0.289 4.409 4.120 0.000 0.000 0.292 382 V C 0.786 176.868 176.094 -0.021 0.000 1.021 382 V CA -0.663 61.665 62.300 0.047 0.000 0.850 382 V CB 1.666 33.527 31.823 0.064 0.000 1.005 382 V HN 0.139 nan 8.190 nan 0.000 0.426 383 R N 1.841 122.335 120.500 -0.011 0.000 2.081 383 R HA -0.013 4.327 4.340 0.000 0.000 0.235 383 R C -0.150 176.078 176.300 -0.120 0.000 1.131 383 R CA 1.287 57.351 56.100 -0.061 0.000 0.960 383 R CB 0.373 30.653 30.300 -0.033 0.000 0.856 383 R HN 0.727 nan 8.270 nan 0.000 0.436 384 D N -0.393 119.949 120.400 -0.097 0.000 2.575 384 D HA 0.199 4.839 4.640 0.000 0.000 0.250 384 D C -1.005 175.195 176.300 -0.167 0.000 1.279 384 D CA -0.024 53.871 54.000 -0.176 0.000 0.925 384 D CB 2.217 42.924 40.800 -0.155 0.000 1.261 384 D HN 0.031 nan 8.370 nan 0.000 0.567 385 T N 0.495 114.880 114.554 -0.282 0.000 2.645 385 T HA 0.508 4.858 4.350 0.000 0.000 0.300 385 T C -1.525 172.968 174.700 -0.345 0.000 1.210 385 T CA -0.488 61.523 62.100 -0.148 0.000 1.034 385 T CB 1.172 70.054 68.868 0.023 0.000 1.537 385 T HN 0.228 nan 8.240 nan 0.000 0.492 386 W N 0.965 122.291 121.300 0.043 0.000 2.781 386 W HA 0.767 5.427 4.660 0.000 0.000 0.345 386 W C -1.150 175.392 176.519 0.039 0.000 1.085 386 W CA -0.583 56.783 57.345 0.036 0.000 1.198 386 W CB 1.831 31.316 29.460 0.041 0.000 1.423 386 W HN 0.443 nan 8.180 nan 0.000 0.532 387 V N 2.694 122.747 119.914 0.231 0.000 2.932 387 V HA 0.305 4.425 4.120 0.000 0.000 0.307 387 V C -2.271 173.904 176.094 0.136 0.000 1.147 387 V CA -2.164 60.220 62.300 0.139 0.000 0.951 387 V CB 3.008 34.872 31.823 0.068 0.000 1.031 387 V HN 0.223 nan 8.190 nan 0.000 0.426 388 P HA 0.153 nan 4.420 nan 0.000 0.271 388 P C 0.147 177.486 177.300 0.066 0.000 1.218 388 P CA 0.069 63.217 63.100 0.080 0.000 0.780 388 P CB 0.633 32.368 31.700 0.059 0.000 0.901 389 D N 1.403 121.838 120.400 0.059 0.000 2.309 389 D HA -0.158 4.482 4.640 0.000 0.000 0.212 389 D C 0.771 177.091 176.300 0.032 0.000 0.968 389 D CA 1.106 55.133 54.000 0.045 0.000 0.882 389 D CB -0.157 40.666 40.800 0.037 0.000 0.918 389 D HN 0.391 nan 8.370 nan 0.000 0.503 390 D N -0.486 119.933 120.400 0.031 0.000 2.342 390 D HA -0.022 4.618 4.640 0.000 0.000 0.221 390 D C 0.799 177.115 176.300 0.027 0.000 1.101 390 D CA -0.594 53.421 54.000 0.025 0.000 0.837 390 D CB -0.787 40.026 40.800 0.020 0.000 0.938 390 D HN 0.209 nan 8.370 nan 0.000 0.508 391 I N 1.697 122.287 120.570 0.032 0.000 2.775 391 I HA 0.028 4.198 4.170 0.000 0.000 0.290 391 I C 0.329 176.463 176.117 0.028 0.000 1.203 391 I CA 0.373 61.693 61.300 0.033 0.000 1.433 391 I CB 0.231 38.253 38.000 0.038 0.000 1.354 391 I HN 0.096 nan 8.210 nan 0.000 0.579 392 R N 6.797 127.313 120.500 0.027 0.000 2.692 392 R HA 0.519 4.859 4.340 0.000 0.000 0.269 392 R C -3.228 173.086 176.300 0.023 0.000 1.030 392 R CA -1.699 54.415 56.100 0.023 0.000 0.882 392 R CB 1.323 31.635 30.300 0.020 0.000 1.250 392 R HN 0.223 nan 8.270 nan 0.000 0.465 393 P HA 0.139 nan 4.420 nan 0.000 0.266 393 P C 0.503 177.816 177.300 0.022 0.000 1.195 393 P CA 1.778 64.890 63.100 0.020 0.000 0.768 393 P CB 0.578 32.287 31.700 0.016 0.000 0.838 394 G N 1.567 110.383 108.800 0.026 0.000 2.258 394 G HA2 -0.189 3.771 3.960 0.000 0.000 0.233 394 G HA3 -0.189 3.771 3.960 0.000 0.000 0.233 394 G C 0.079 174.999 174.900 0.032 0.000 1.006 394 G CA -0.242 44.874 45.100 0.027 0.000 0.620 394 G HN 0.513 nan 8.290 nan 0.000 0.511 395 D N 0.734 121.155 120.400 0.034 0.000 2.362 395 D HA 0.526 5.166 4.640 0.000 0.000 0.242 395 D C 0.842 177.173 176.300 0.052 0.000 1.132 395 D CA 0.213 54.236 54.000 0.039 0.000 0.907 395 D CB 0.860 41.683 40.800 0.038 0.000 1.195 395 D HN 0.346 nan 8.370 nan 0.000 0.429 396 L N 1.293 122.550 121.223 0.056 0.000 2.317 396 L HA 0.508 4.848 4.340 0.000 0.000 0.281 396 L C 0.025 176.949 176.870 0.089 0.000 1.024 396 L CA -1.011 53.874 54.840 0.075 0.000 0.810 396 L CB 1.611 43.708 42.059 0.064 0.000 1.240 396 L HN 0.134 nan 8.230 nan 0.000 0.427 397 V N -0.088 119.904 119.914 0.130 0.000 3.001 397 V HA 0.996 5.116 4.120 0.000 0.000 0.314 397 V C -0.447 175.771 176.094 0.207 0.000 1.099 397 V CA -0.660 61.735 62.300 0.158 0.000 0.989 397 V CB 1.810 33.726 31.823 0.155 0.000 1.040 397 V HN 0.824 nan 8.190 nan 0.000 0.434 398 A N 2.420 125.390 122.820 0.250 0.000 2.371 398 A HA 0.852 5.172 4.320 0.000 0.000 0.311 398 A C -0.764 177.020 177.584 0.333 0.000 1.068 398 A CA -0.700 51.505 52.037 0.280 0.000 0.744 398 A CB 1.827 21.042 19.000 0.358 0.000 1.239 398 A HN 1.313 nan 8.150 nan 0.000 0.435 399 V N 2.206 122.223 119.914 0.172 0.000 2.407 399 V HA 0.568 4.688 4.120 0.000 0.000 0.278 399 V C 0.901 176.924 176.094 -0.118 0.000 1.037 399 V CA -0.179 62.159 62.300 0.064 0.000 0.900 399 V CB 0.981 32.806 31.823 0.004 0.000 0.983 399 V HN 1.156 nan 8.190 nan 0.000 0.459 400 A N 4.180 126.803 122.820 -0.329 0.000 2.332 400 A HA 0.700 5.020 4.320 0.000 0.000 0.258 400 A C 1.082 178.592 177.584 -0.124 0.000 1.087 400 A CA 0.217 51.891 52.037 -0.606 0.000 0.802 400 A CB 0.228 18.435 19.000 -1.322 0.000 1.042 400 A HN 2.387 nan 8.150 nan 0.000 0.489 401 A N 0.712 123.439 122.820 -0.155 0.000 2.800 401 A HA -0.087 4.233 4.320 0.000 0.000 0.292 401 A C 0.838 178.563 177.584 0.235 0.000 1.474 401 A CA 1.378 53.390 52.037 -0.042 0.000 0.744 401 A CB -2.499 16.333 19.000 -0.281 0.000 1.044 401 A HN 2.233 nan 8.150 nan 0.000 0.489 402 T N -3.557 111.113 114.554 0.193 0.000 3.176 402 T HA 0.450 4.800 4.350 0.000 0.000 0.263 402 T C 1.455 176.333 174.700 0.296 0.000 1.021 402 T CA 1.059 63.336 62.100 0.295 0.000 0.905 402 T CB 0.552 69.512 68.868 0.154 0.000 1.057 402 T HN 1.393 nan 8.240 nan 0.000 0.558 403 G N 0.942 109.850 108.800 0.181 0.000 2.623 403 G HA2 0.456 4.416 3.960 0.000 0.000 0.214 403 G HA3 0.456 4.416 3.960 0.000 0.000 0.214 403 G C 0.528 175.460 174.900 0.053 0.000 1.138 403 G CA 0.115 45.255 45.100 0.067 0.000 0.794 403 G HN 0.797 nan 8.290 nan 0.000 0.535 404 A N -0.948 121.963 122.820 0.151 0.000 2.304 404 A HA 0.665 4.985 4.320 0.000 0.000 0.314 404 A C 0.060 177.776 177.584 0.220 0.000 1.187 404 A CA -0.657 51.422 52.037 0.070 0.000 0.810 404 A CB 0.768 19.843 19.000 0.125 0.000 1.183 404 A HN 0.593 nan 8.150 nan 0.000 0.487 405 Y N -0.144 120.303 120.300 0.245 0.000 4.539 405 Y HA -0.359 4.191 4.550 0.000 0.000 0.310 405 Y C 1.913 177.966 175.900 0.254 0.000 1.063 405 Y CA 0.887 59.131 58.100 0.240 0.000 1.767 405 Y CB -2.454 36.144 38.460 0.230 0.000 0.963 405 Y HN 0.659 nan 8.280 nan 0.000 0.425 406 C N -0.862 118.653 119.300 0.359 0.000 2.541 406 C HA -0.138 4.322 4.460 0.000 0.000 0.282 406 C C 2.402 177.562 174.990 0.284 0.000 1.263 406 C CA 1.482 60.714 59.018 0.357 0.000 1.709 406 C CB -1.336 26.674 27.740 0.450 0.000 2.097 406 C HN 0.642 nan 8.230 nan 0.000 0.480 407 Y N 2.506 122.817 120.300 0.017 0.000 2.181 407 Y HA -0.212 4.338 4.550 0.000 0.000 0.288 407 Y C 2.643 178.568 175.900 0.043 0.000 1.146 407 Y CA 2.011 60.035 58.100 -0.127 0.000 1.164 407 Y CB -0.425 37.678 38.460 -0.595 0.000 0.982 407 Y HN 0.292 nan 8.280 nan 0.000 0.515 408 S N 0.169 116.040 115.700 0.285 0.000 2.419 408 S HA -0.179 4.291 4.470 0.000 0.000 0.235 408 S C 1.682 176.360 174.600 0.129 0.000 1.019 408 S CA 1.566 59.894 58.200 0.213 0.000 0.982 408 S CB -0.394 62.924 63.200 0.196 0.000 0.789 408 S HN 0.464 nan 8.310 nan 0.000 0.490 409 L N 1.802 123.106 121.223 0.136 0.000 2.607 409 L HA 0.170 4.510 4.340 0.000 0.000 0.228 409 L C 0.829 177.714 176.870 0.025 0.000 1.123 409 L CA -0.311 54.587 54.840 0.098 0.000 0.890 409 L CB -0.210 41.938 42.059 0.148 0.000 1.103 409 L HN 0.211 nan 8.230 nan 0.000 0.468 410 S N 0.018 115.697 115.700 -0.033 0.000 2.558 410 S HA 0.272 4.742 4.470 0.000 0.000 0.288 410 S C 0.329 174.890 174.600 -0.065 0.000 1.318 410 S CA -0.396 57.759 58.200 -0.075 0.000 1.056 410 S CB 1.068 64.110 63.200 -0.263 0.000 0.853 410 S HN 0.307 nan 8.310 nan 0.000 0.505 411 S N 2.030 117.718 115.700 -0.018 0.000 2.811 411 S HA 0.613 5.083 4.470 0.000 0.000 0.311 411 S C -0.388 174.248 174.600 0.059 0.000 1.152 411 S CA -1.327 56.877 58.200 0.005 0.000 0.864 411 S CB 1.170 64.366 63.200 -0.006 0.000 1.226 411 S HN 0.747 nan 8.310 nan 0.000 0.541 412 R N -0.185 120.368 120.500 0.087 0.000 2.865 412 R HA 0.270 4.610 4.340 0.000 0.000 0.370 412 R C -0.958 175.458 176.300 0.194 0.000 1.168 412 R CA -0.323 55.849 56.100 0.121 0.000 1.058 412 R CB -0.042 30.304 30.300 0.077 0.000 1.419 412 R HN 0.658 nan 8.270 nan 0.000 0.580 413 Y N 2.156 122.495 120.300 0.064 0.000 2.717 413 Y HA -0.203 4.347 4.550 0.000 0.000 0.330 413 Y C 0.504 176.532 175.900 0.213 0.000 1.217 413 Y CA 0.326 58.470 58.100 0.073 0.000 1.506 413 Y CB 0.382 38.793 38.460 -0.082 0.000 1.268 413 Y HN 0.446 nan 8.280 nan 0.000 0.561 414 N N 5.377 124.004 118.700 -0.122 0.000 2.714 414 N HA -0.256 4.484 4.740 0.000 0.000 0.250 414 N C -0.386 175.105 175.510 -0.032 0.000 1.117 414 N CA 1.301 54.262 53.050 -0.150 0.000 0.719 414 N CB -0.689 37.678 38.487 -0.200 0.000 1.081 414 N HN 0.814 nan 8.380 nan 0.000 0.557 415 M N -2.537 117.082 119.600 0.031 0.000 2.297 415 M HA -0.196 4.284 4.480 0.000 0.000 0.200 415 M C -0.818 175.503 176.300 0.035 0.000 0.414 415 M CA 0.618 55.938 55.300 0.034 0.000 0.449 415 M CB -2.266 30.340 32.600 0.010 0.000 1.436 415 M HN 0.008 nan 8.290 nan 0.000 0.912 416 V N 0.198 120.157 119.914 0.077 0.000 2.333 416 V HA 0.648 4.768 4.120 0.000 0.000 0.274 416 V C 1.447 177.596 176.094 0.092 0.000 1.028 416 V CA -0.308 62.035 62.300 0.071 0.000 0.851 416 V CB 1.353 33.231 31.823 0.091 0.000 1.000 416 V HN 0.652 nan 8.190 nan 0.000 0.456 417 G N 4.809 113.650 108.800 0.068 0.000 2.667 417 G HA2 0.267 4.227 3.960 0.000 0.000 0.250 417 G HA3 0.267 4.227 3.960 0.000 0.000 0.250 417 G C 0.077 175.026 174.900 0.082 0.000 1.212 417 G CA -0.642 44.499 45.100 0.068 0.000 0.874 417 G HN 0.664 nan 8.290 nan 0.000 0.561 418 R N 0.645 121.187 120.500 0.069 0.000 2.543 418 R HA 0.180 4.520 4.340 0.000 0.000 0.277 418 R C -2.307 174.091 176.300 0.163 0.000 1.074 418 R CA -1.074 55.069 56.100 0.072 0.000 1.076 418 R CB 0.438 30.726 30.300 -0.021 0.000 0.993 418 R HN 0.304 nan 8.270 nan 0.000 0.459 419 P HA 0.022 nan 4.420 nan 0.000 0.272 419 P C -0.763 176.735 177.300 0.329 0.000 1.230 419 P CA -0.061 63.201 63.100 0.270 0.000 0.788 419 P CB 0.631 32.512 31.700 0.301 0.000 0.949 420 A N 1.508 124.467 122.820 0.231 0.000 2.366 420 A HA 0.464 4.784 4.320 0.000 0.000 0.249 420 A C -0.407 177.281 177.584 0.174 0.000 1.084 420 A CA -0.076 52.065 52.037 0.174 0.000 0.794 420 A CB 0.018 19.093 19.000 0.125 0.000 1.034 420 A HN 0.359 nan 8.150 nan 0.000 0.491 421 V N 1.186 121.128 119.914 0.047 0.000 2.656 421 V HA 0.608 4.728 4.120 0.000 0.000 0.307 421 V C -0.443 175.585 176.094 -0.110 0.000 1.051 421 V CA -0.476 61.810 62.300 -0.025 0.000 0.893 421 V CB 1.595 33.287 31.823 -0.219 0.000 0.999 421 V HN 0.717 nan 8.190 nan 0.000 0.426 422 V N 2.294 122.135 119.914 -0.121 0.000 2.925 422 V HA 0.903 5.023 4.120 0.000 0.000 0.311 422 V C -0.136 175.915 176.094 -0.072 0.000 1.104 422 V CA -0.464 61.709 62.300 -0.212 0.000 0.954 422 V CB 2.319 33.888 31.823 -0.424 0.000 1.022 422 V HN 1.087 nan 8.190 nan 0.000 0.427 423 A N 3.009 125.815 122.820 -0.023 0.000 2.350 423 A HA 0.944 5.264 4.320 0.000 0.000 0.324 423 A C -0.765 176.864 177.584 0.074 0.000 1.118 423 A CA -0.534 51.560 52.037 0.094 0.000 0.783 423 A CB 1.799 20.935 19.000 0.226 0.000 1.236 423 A HN 1.608 nan 8.150 nan 0.000 0.457 424 V N 0.267 120.236 119.914 0.092 0.000 2.656 424 V HA 0.816 4.936 4.120 0.000 0.000 0.307 424 V C -0.836 175.322 176.094 0.108 0.000 1.051 424 V CA -0.460 61.893 62.300 0.088 0.000 0.893 424 V CB 1.711 33.573 31.823 0.065 0.000 0.999 424 V HN 1.088 nan 8.190 nan 0.000 0.426 425 H N 3.878 122.943 119.070 -0.008 0.000 3.128 425 H HA 0.517 5.073 4.556 0.000 0.000 0.336 425 H C 0.324 175.641 175.328 -0.019 0.000 1.026 425 H CA 0.288 56.315 56.048 -0.036 0.000 1.376 425 H CB 1.892 31.608 29.762 -0.076 0.000 1.882 425 H HN 1.875 nan 8.280 nan 0.000 0.479 426 A N 2.930 125.541 122.820 -0.348 0.000 2.624 426 A HA -0.172 4.148 4.320 0.000 0.000 0.302 426 A C 1.595 179.165 177.584 -0.024 0.000 1.504 426 A CA 2.039 53.975 52.037 -0.168 0.000 0.804 426 A CB -1.990 16.938 19.000 -0.121 0.000 1.020 426 A HN 2.006 nan 8.150 nan 0.000 0.444 427 G N -2.170 106.625 108.800 -0.009 0.000 2.184 427 G HA2 -0.144 3.816 3.960 0.000 0.000 0.206 427 G HA3 -0.144 3.816 3.960 0.000 0.000 0.206 427 G C -0.346 174.581 174.900 0.046 0.000 0.995 427 G CA 0.326 45.436 45.100 0.017 0.000 0.651 427 G HN 1.430 nan 8.290 nan 0.000 0.511 428 N N 0.298 119.038 118.700 0.067 0.000 2.352 428 N HA 0.702 5.442 4.740 0.000 0.000 0.291 428 N C -0.173 175.398 175.510 0.102 0.000 1.040 428 N CA 0.172 53.273 53.050 0.086 0.000 0.864 428 N CB 2.059 40.599 38.487 0.087 0.000 1.440 428 N HN 0.639 nan 8.380 nan 0.000 0.483 429 A N 2.088 124.981 122.820 0.123 0.000 2.320 429 A HA 0.894 5.214 4.320 0.000 0.000 0.334 429 A C -0.427 177.237 177.584 0.133 0.000 1.147 429 A CA -0.654 51.459 52.037 0.126 0.000 0.820 429 A CB 0.793 19.911 19.000 0.196 0.000 1.218 429 A HN 0.841 nan 8.150 nan 0.000 0.482 430 R N 1.220 121.749 120.500 0.047 0.000 2.535 430 R HA 0.534 4.874 4.340 0.000 0.000 0.274 430 R C -1.781 174.465 176.300 -0.089 0.000 1.090 430 R CA -0.828 55.301 56.100 0.049 0.000 0.930 430 R CB 0.771 31.111 30.300 0.066 0.000 1.223 430 R HN 0.549 nan 8.270 nan 0.000 0.441 431 L N 3.485 124.663 121.223 -0.074 0.000 2.513 431 L HA 0.072 4.412 4.340 0.000 0.000 0.272 431 L C 0.134 176.968 176.870 -0.059 0.000 1.187 431 L CA 0.554 55.315 54.840 -0.132 0.000 0.895 431 L CB 1.455 43.539 42.059 0.042 0.000 1.147 431 L HN 0.761 nan 8.230 nan 0.000 0.483 432 V N 5.105 124.968 119.914 -0.084 0.000 2.806 432 V HA 0.180 4.300 4.120 0.000 0.000 0.239 432 V C 0.454 176.503 176.094 -0.075 0.000 1.113 432 V CA 0.313 62.569 62.300 -0.074 0.000 1.137 432 V CB -0.009 31.755 31.823 -0.099 0.000 0.865 432 V HN 0.568 nan 8.190 nan 0.000 0.482 433 L N 2.134 123.313 121.223 -0.074 0.000 2.372 433 L HA 0.507 4.847 4.340 0.000 0.000 0.273 433 L C 0.027 176.909 176.870 0.019 0.000 0.989 433 L CA -0.696 54.119 54.840 -0.042 0.000 0.841 433 L CB 1.639 43.636 42.059 -0.102 0.000 1.225 433 L HN 0.328 nan 8.230 nan 0.000 0.414 434 R N 1.885 122.411 120.500 0.043 0.000 2.774 434 R HA 0.334 4.674 4.340 0.000 0.000 0.269 434 R C 0.086 176.450 176.300 0.107 0.000 1.068 434 R CA -0.609 55.536 56.100 0.076 0.000 1.180 434 R CB 0.587 30.932 30.300 0.074 0.000 1.077 434 R HN 0.556 nan 8.270 nan 0.000 0.513 435 R N 0.993 121.562 120.500 0.115 0.000 2.441 435 R HA 0.077 4.417 4.340 0.000 0.000 0.284 435 R C -0.682 175.677 176.300 0.099 0.000 1.070 435 R CA -0.322 55.852 56.100 0.124 0.000 1.047 435 R CB 0.777 31.149 30.300 0.121 0.000 1.016 435 R HN 0.729 nan 8.270 nan 0.000 0.477 436 E N 1.463 121.721 120.200 0.096 0.000 2.392 436 E HA 0.061 4.411 4.350 0.000 0.000 0.259 436 E C -0.195 176.441 176.600 0.061 0.000 1.108 436 E CA 0.278 56.721 56.400 0.072 0.000 0.916 436 E CB 1.131 30.869 29.700 0.064 0.000 0.989 436 E HN 0.770 nan 8.360 nan 0.000 0.432 437 T N -3.017 111.566 114.554 0.049 0.000 2.864 437 T HA 0.237 4.587 4.350 0.000 0.000 0.289 437 T C 1.069 175.789 174.700 0.034 0.000 1.082 437 T CA -0.829 61.296 62.100 0.041 0.000 1.009 437 T CB 0.882 69.773 68.868 0.038 0.000 1.234 437 T HN 0.120 nan 8.240 nan 0.000 0.526 438 V N 1.072 121.002 119.914 0.028 0.000 2.392 438 V HA -0.152 3.968 4.120 0.000 0.000 0.249 438 V C 2.410 178.516 176.094 0.021 0.000 1.059 438 V CA 2.085 64.398 62.300 0.022 0.000 1.051 438 V CB -0.943 30.891 31.823 0.018 0.000 0.658 438 V HN 0.858 nan 8.190 nan 0.000 0.455 439 D N 0.378 120.791 120.400 0.022 0.000 2.104 439 D HA -0.187 4.453 4.640 0.000 0.000 0.194 439 D C 1.923 178.236 176.300 0.021 0.000 0.994 439 D CA 1.705 55.717 54.000 0.020 0.000 0.830 439 D CB -0.350 40.462 40.800 0.020 0.000 0.959 439 D HN 0.469 nan 8.370 nan 0.000 0.452 440 D N 0.607 121.022 120.400 0.025 0.000 2.116 440 D HA -0.151 4.489 4.640 0.000 0.000 0.193 440 D C 2.235 178.549 176.300 0.024 0.000 0.998 440 D CA 0.501 54.517 54.000 0.026 0.000 0.836 440 D CB -0.273 40.547 40.800 0.032 0.000 0.951 440 D HN 0.118 nan 8.370 nan 0.000 0.449 441 L N 0.230 121.469 121.223 0.026 0.000 2.129 441 L HA -0.138 4.202 4.340 0.000 0.000 0.212 441 L C 2.315 179.198 176.870 0.021 0.000 1.087 441 L CA 1.219 56.074 54.840 0.025 0.000 0.757 441 L CB -0.585 41.488 42.059 0.025 0.000 0.896 441 L HN 0.076 nan 8.230 nan 0.000 0.434 442 L N -1.830 119.404 121.223 0.018 0.000 2.616 442 L HA 0.071 4.411 4.340 0.000 0.000 0.229 442 L C 2.264 179.142 176.870 0.014 0.000 1.110 442 L CA 0.494 55.343 54.840 0.015 0.000 0.884 442 L CB -0.242 41.825 42.059 0.014 0.000 1.115 442 L HN 0.239 nan 8.230 nan 0.000 0.481 443 S N 0.334 116.043 115.700 0.015 0.000 2.419 443 S HA -0.149 4.321 4.470 0.000 0.000 0.235 443 S C 1.754 176.361 174.600 0.012 0.000 1.019 443 S CA 1.000 59.208 58.200 0.013 0.000 0.982 443 S CB -0.457 62.752 63.200 0.014 0.000 0.789 443 S HN 0.461 nan 8.310 nan 0.000 0.490 444 L N 0.495 121.725 121.223 0.012 0.000 2.418 444 L HA 0.250 4.590 4.340 0.000 0.000 0.218 444 L C 1.264 178.139 176.870 0.010 0.000 1.125 444 L CA 0.314 55.160 54.840 0.010 0.000 0.835 444 L CB -0.451 41.614 42.059 0.011 0.000 0.953 444 L HN 0.314 nan 8.230 nan 0.000 0.454 445 E N 0.768 120.975 120.200 0.010 0.000 2.366 445 E HA 0.069 4.419 4.350 0.000 0.000 0.266 445 E C -0.786 175.818 176.600 0.008 0.000 1.015 445 E CA -0.137 56.268 56.400 0.009 0.000 0.906 445 E CB 1.267 30.973 29.700 0.010 0.000 0.979 445 E HN -0.173 nan 8.360 nan 0.000 0.443 446 V N 5.721 125.639 119.914 0.007 0.000 2.313 446 V HA 0.289 4.409 4.120 0.000 0.000 0.278 446 V C -0.040 176.057 176.094 0.006 0.000 1.017 446 V CA -0.333 61.971 62.300 0.006 0.000 0.823 446 V CB 1.066 32.892 31.823 0.006 0.000 1.010 446 V HN 0.609 nan 8.190 nan 0.000 0.443 447 R N 0.000 120.503 120.500 0.006 0.000 2.786 447 R HA 0.000 4.340 4.340 0.000 0.000 0.208 447 R CA 0.000 56.103 56.100 0.005 0.000 0.921 447 R CB 0.000 30.303 30.300 0.005 0.000 0.687 447 R HN 0.000 nan 8.270 nan 0.000 0.535