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 2igk_1_B DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE PGLVLHLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT 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 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.289 176.300 -0.019 0.000 1.140 43 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 43 M CB 0.000 32.452 32.600 -0.247 0.000 1.302 44 D N 1.058 121.477 120.400 0.032 0.000 2.354 44 D HA 0.178 4.817 4.640 -0.001 0.000 0.238 44 D C 1.248 177.470 176.300 -0.129 0.000 1.250 44 D CA 0.165 54.088 54.000 -0.128 0.000 0.911 44 D CB 0.725 41.307 40.800 -0.363 0.000 1.163 44 D HN 0.520 nan 8.370 nan 0.000 0.456 45 I N -1.701 118.774 120.570 -0.159 0.000 3.265 45 I HA 0.110 4.280 4.170 -0.001 0.000 0.282 45 I C 0.729 176.792 176.117 -0.091 0.000 1.207 45 I CA 0.380 61.644 61.300 -0.059 0.000 1.449 45 I CB -0.436 37.555 38.000 -0.015 0.000 1.121 45 I HN 0.024 nan 8.210 nan 0.000 0.442 46 K N 0.557 120.757 120.400 -0.332 0.000 2.426 46 K HA 0.570 4.890 4.320 -0.001 0.000 0.254 46 K C -1.799 174.481 176.600 -0.533 0.000 0.936 46 K CA -0.554 55.573 56.287 -0.266 0.000 0.801 46 K CB 0.948 33.365 32.500 -0.137 0.000 1.139 46 K HN 0.053 nan 8.250 nan 0.000 0.424 47 Y N 1.352 121.663 120.300 0.019 0.000 2.576 47 Y HA 0.249 4.798 4.550 -0.001 0.000 0.346 47 Y C 0.641 176.541 175.900 0.001 0.000 1.018 47 Y CA -0.791 57.317 58.100 0.013 0.000 1.050 47 Y CB 2.016 40.481 38.460 0.008 0.000 1.280 47 Y HN 0.621 nan 8.280 nan 0.000 0.474 48 D N 0.315 120.833 120.400 0.197 0.000 2.097 48 D HA -0.003 4.637 4.640 -0.001 0.000 0.197 48 D C -0.265 176.057 176.300 0.037 0.000 0.984 48 D CA 1.511 55.605 54.000 0.158 0.000 0.826 48 D CB 0.227 41.194 40.800 0.278 0.000 0.973 48 D HN 0.111 nan 8.370 nan 0.000 0.460 49 V N 1.159 121.085 119.914 0.021 0.000 2.638 49 V HA 0.344 4.463 4.120 -0.001 0.000 0.306 49 V C -0.238 175.778 176.094 -0.130 0.000 1.052 49 V CA -1.057 61.160 62.300 -0.138 0.000 0.885 49 V CB 2.406 34.126 31.823 -0.172 0.000 0.999 49 V HN -0.017 nan 8.190 nan 0.000 0.424 50 V N 3.071 122.860 119.914 -0.209 0.000 2.547 50 V HA 0.754 4.873 4.120 -0.001 0.000 0.299 50 V C -0.549 175.496 176.094 -0.082 0.000 1.040 50 V CA -0.597 61.640 62.300 -0.104 0.000 0.913 50 V CB 1.718 33.564 31.823 0.038 0.000 0.992 50 V HN 0.688 nan 8.190 nan 0.000 0.449 51 I N 3.985 124.536 120.570 -0.031 0.000 2.436 51 I HA 0.446 4.615 4.170 -0.001 0.000 0.289 51 I C -0.601 175.547 176.117 0.051 0.000 1.010 51 I CA -0.914 60.349 61.300 -0.061 0.000 1.098 51 I CB 2.239 40.186 38.000 -0.088 0.000 1.266 51 I HN 0.435 nan 8.210 nan 0.000 0.434 52 V N 5.533 125.459 119.914 0.021 0.000 2.368 52 V HA 0.768 4.887 4.120 -0.001 0.000 0.266 52 V C 0.521 176.625 176.094 0.016 0.000 1.045 52 V CA -0.223 62.112 62.300 0.058 0.000 0.899 52 V CB 0.412 32.240 31.823 0.008 0.000 1.006 52 V HN 1.065 nan 8.190 nan 0.000 0.470 53 G N 3.877 112.704 108.800 0.044 0.000 3.055 53 G HA2 0.004 3.963 3.960 -0.001 0.000 0.685 53 G HA3 0.004 3.963 3.960 -0.001 0.000 0.685 53 G C -0.093 174.825 174.900 0.029 0.000 1.212 53 G CA -0.271 44.844 45.100 0.025 0.000 0.822 53 G HN 1.224 nan 8.290 nan 0.000 0.610 54 S N 1.002 116.723 115.700 0.034 0.000 2.588 54 S HA 0.606 5.075 4.470 -0.001 0.000 0.245 54 S C 1.292 175.905 174.600 0.021 0.000 1.021 54 S CA 0.671 58.898 58.200 0.044 0.000 1.006 54 S CB 0.651 63.892 63.200 0.068 0.000 0.830 54 S HN 1.912 nan 8.310 nan 0.000 0.468 55 G N 2.747 111.548 108.800 0.002 0.000 2.631 55 G HA2 0.371 4.330 3.960 -0.001 0.000 0.271 55 G HA3 0.371 4.330 3.960 -0.001 0.000 0.271 55 G C -1.138 173.741 174.900 -0.036 0.000 1.302 55 G CA -1.243 43.840 45.100 -0.029 0.000 1.002 55 G HN 0.252 nan 8.290 nan 0.000 0.519 56 P HA -0.059 nan 4.420 nan 0.000 0.222 56 P C 1.670 178.918 177.300 -0.086 0.000 1.147 56 P CA 0.663 63.716 63.100 -0.078 0.000 0.790 56 P CB 0.196 31.868 31.700 -0.047 0.000 0.780 57 I N 0.129 120.680 120.570 -0.031 0.000 2.333 57 I HA -0.017 4.152 4.170 -0.001 0.000 0.246 57 I C 2.691 178.869 176.117 0.102 0.000 1.106 57 I CA 1.434 62.748 61.300 0.024 0.000 1.411 57 I CB -2.268 35.770 38.000 0.064 0.000 1.082 57 I HN -0.006 nan 8.210 nan 0.000 0.420 58 G N 0.210 109.046 108.800 0.060 0.000 2.442 58 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.219 58 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.219 58 G C 1.759 176.663 174.900 0.006 0.000 1.141 58 G CA 0.996 46.124 45.100 0.046 0.000 0.763 58 G HN 0.408 nan 8.290 nan 0.000 0.554 59 C N 0.605 119.881 119.300 -0.040 0.000 2.432 59 C HA 0.037 4.497 4.460 -0.001 0.000 0.280 59 C C 3.172 178.035 174.990 -0.212 0.000 1.353 59 C CA 1.357 60.306 59.018 -0.116 0.000 1.766 59 C CB -0.940 26.781 27.740 -0.032 0.000 1.924 59 C HN 0.448 nan 8.230 nan 0.000 0.509 60 T N -0.084 114.376 114.554 -0.158 0.000 2.737 60 T HA -0.145 4.204 4.350 -0.001 0.000 0.265 60 T C 1.478 176.023 174.700 -0.259 0.000 1.038 60 T CA 1.539 63.515 62.100 -0.207 0.000 1.144 60 T CB -0.408 68.359 68.868 -0.169 0.000 0.866 60 T HN 0.543 nan 8.240 nan 0.000 0.434 61 Y N 1.586 121.749 120.300 -0.228 0.000 2.165 61 Y HA -0.091 4.459 4.550 -0.001 0.000 0.286 61 Y C 2.759 178.450 175.900 -0.348 0.000 1.155 61 Y CA 1.014 58.961 58.100 -0.255 0.000 1.164 61 Y CB -0.715 37.614 38.460 -0.218 0.000 0.978 61 Y HN 0.197 nan 8.280 nan 0.000 0.513 62 A N 0.187 122.830 122.820 -0.295 0.000 1.883 62 A HA -0.255 4.064 4.320 -0.001 0.000 0.217 62 A C 2.291 179.317 177.584 -0.930 0.000 1.186 62 A CA 1.964 53.583 52.037 -0.697 0.000 0.624 62 A CB -0.804 17.533 19.000 -1.105 0.000 0.822 62 A HN 0.451 nan 8.150 nan 0.000 0.444 63 R N -0.497 119.516 120.500 -0.812 0.000 2.091 63 R HA -0.163 4.177 4.340 -0.001 0.000 0.238 63 R C 1.993 178.086 176.300 -0.345 0.000 1.136 63 R CA 1.749 57.512 56.100 -0.562 0.000 0.959 63 R CB -0.242 29.758 30.300 -0.500 0.000 0.856 63 R HN 0.552 nan 8.270 nan 0.000 0.437 64 E N 0.382 120.407 120.200 -0.291 0.000 2.072 64 E HA -0.151 4.198 4.350 -0.001 0.000 0.191 64 E C 2.103 178.634 176.600 -0.116 0.000 0.985 64 E CA 1.150 57.451 56.400 -0.165 0.000 0.801 64 E CB 0.001 29.594 29.700 -0.178 0.000 0.750 64 E HN 0.428 nan 8.360 nan 0.000 0.452 65 L N 0.135 121.264 121.223 -0.158 0.000 2.202 65 L HA -0.037 4.303 4.340 -0.001 0.000 0.205 65 L C 2.481 179.402 176.870 0.085 0.000 1.083 65 L CA 0.190 54.988 54.840 -0.069 0.000 0.790 65 L CB -0.167 41.748 42.059 -0.240 0.000 0.942 65 L HN -0.068 nan 8.230 nan 0.000 0.452 66 V N 0.556 120.432 119.914 -0.062 0.000 2.343 66 V HA -0.202 3.917 4.120 -0.001 0.000 0.247 66 V C 2.635 178.760 176.094 0.051 0.000 1.051 66 V CA 2.083 64.393 62.300 0.016 0.000 1.036 66 V CB -1.232 30.537 31.823 -0.089 0.000 0.654 66 V HN 0.561 nan 8.190 nan 0.000 0.451 67 G N -0.372 108.428 108.800 -0.000 0.000 2.422 67 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.218 67 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.218 67 G C 1.486 176.405 174.900 0.032 0.000 1.146 67 G CA 0.837 45.944 45.100 0.011 0.000 0.769 67 G HN 0.641 nan 8.290 nan 0.000 0.547 68 A N -0.429 122.441 122.820 0.083 0.000 2.259 68 A HA 0.482 4.801 4.320 -0.001 0.000 0.208 68 A C 1.908 179.509 177.584 0.028 0.000 1.201 68 A CA 1.221 53.320 52.037 0.103 0.000 0.824 68 A CB -0.460 18.680 19.000 0.233 0.000 0.838 68 A HN 1.591 nan 8.150 nan 0.000 0.485 69 G N -2.350 106.472 108.800 0.036 0.000 2.159 69 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.227 69 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.227 69 G C -0.042 174.811 174.900 -0.078 0.000 0.986 69 G CA 0.075 45.146 45.100 -0.049 0.000 0.651 69 G HN 0.395 nan 8.290 nan 0.000 0.523 70 Y N 0.605 120.932 120.300 0.044 0.000 2.397 70 Y HA 0.426 4.975 4.550 -0.001 0.000 0.335 70 Y C 1.125 177.081 175.900 0.093 0.000 1.213 70 Y CA 0.061 58.196 58.100 0.059 0.000 1.391 70 Y CB 0.730 39.205 38.460 0.025 0.000 1.293 70 Y HN 0.083 nan 8.280 nan 0.000 0.557 71 K N 2.957 123.508 120.400 0.251 0.000 2.292 71 K HA 0.379 4.698 4.320 -0.001 0.000 0.290 71 K C -1.517 175.240 176.600 0.263 0.000 1.083 71 K CA -0.125 56.307 56.287 0.241 0.000 0.918 71 K CB -0.034 32.582 32.500 0.193 0.000 1.089 71 K HN 0.491 nan 8.250 nan 0.000 0.473 72 V N 3.279 123.318 119.914 0.210 0.000 2.513 72 V HA 0.576 4.696 4.120 -0.001 0.000 0.299 72 V C -0.223 175.761 176.094 -0.184 0.000 1.035 72 V CA -0.911 61.440 62.300 0.085 0.000 0.889 72 V CB 1.427 33.356 31.823 0.177 0.000 0.988 72 V HN 0.875 nan 8.190 nan 0.000 0.440 73 A N 5.728 128.278 122.820 -0.450 0.000 2.350 73 A HA 0.942 5.262 4.320 -0.001 0.000 0.324 73 A C -0.651 176.573 177.584 -0.600 0.000 1.118 73 A CA -0.635 50.909 52.037 -0.822 0.000 0.783 73 A CB 1.574 19.723 19.000 -1.419 0.000 1.236 73 A HN 0.923 nan 8.150 nan 0.000 0.457 74 M N 2.377 121.547 119.600 -0.716 0.000 2.326 74 M HA 0.730 5.210 4.480 -0.001 0.000 0.306 74 M C -2.189 173.813 176.300 -0.497 0.000 1.054 74 M CA -0.407 54.678 55.300 -0.359 0.000 0.922 74 M CB 1.158 33.760 32.600 0.003 0.000 1.632 74 M HN 0.587 nan 8.290 nan 0.000 0.436 75 F N 2.307 122.259 119.950 0.003 0.000 2.480 75 F HA 0.568 5.094 4.527 -0.001 0.000 0.329 75 F C -0.060 175.745 175.800 0.009 0.000 1.091 75 F CA -0.460 57.560 58.000 0.033 0.000 0.972 75 F CB 1.432 40.432 39.000 0.001 0.000 1.150 75 F HN 0.472 nan 8.300 nan 0.000 0.467 76 D N 2.592 123.092 120.400 0.167 0.000 2.780 76 D HA 0.247 4.886 4.640 -0.001 0.000 0.242 76 D C 0.492 176.823 176.300 0.052 0.000 1.135 76 D CA -0.349 53.700 54.000 0.082 0.000 0.859 76 D CB 2.567 43.397 40.800 0.050 0.000 1.530 76 D HN 0.644 nan 8.370 nan 0.000 0.493 77 I N 1.805 122.358 120.570 -0.028 0.000 2.676 77 I HA 0.040 4.209 4.170 -0.001 0.000 0.259 77 I C 1.145 177.229 176.117 -0.056 0.000 1.194 77 I CA 0.687 61.929 61.300 -0.097 0.000 1.473 77 I CB 0.173 37.999 38.000 -0.290 0.000 1.096 77 I HN 0.323 nan 8.210 nan 0.000 0.443 78 G N -0.044 108.740 108.800 -0.027 0.000 2.532 78 G HA2 0.403 4.363 3.960 -0.001 0.000 0.291 78 G HA3 0.403 4.363 3.960 -0.001 0.000 0.291 78 G C -0.848 174.074 174.900 0.036 0.000 1.349 78 G CA -0.393 44.716 45.100 0.014 0.000 1.038 78 G HN 0.290 nan 8.290 nan 0.000 0.518 79 E N -1.502 118.725 120.200 0.045 0.000 2.359 79 E HA 0.370 4.720 4.350 -0.001 0.000 0.266 79 E C -0.604 176.024 176.600 0.046 0.000 0.920 79 E CA -0.771 55.657 56.400 0.047 0.000 0.788 79 E CB 2.595 32.326 29.700 0.050 0.000 1.279 79 E HN 0.263 nan 8.360 nan 0.000 0.438 80 I N 2.465 123.060 120.570 0.042 0.000 2.452 80 I HA 0.038 4.207 4.170 -0.001 0.000 0.287 80 I C -0.259 175.888 176.117 0.051 0.000 1.079 80 I CA 0.577 61.903 61.300 0.043 0.000 1.387 80 I CB 0.157 38.176 38.000 0.033 0.000 1.404 80 I HN 0.530 nan 8.210 nan 0.000 0.522 81 D N 2.726 123.163 120.400 0.061 0.000 3.629 81 D HA 0.033 4.673 4.640 -0.001 0.000 0.306 81 D C -0.219 176.136 176.300 0.092 0.000 1.431 81 D CA -0.325 53.717 54.000 0.071 0.000 0.748 81 D CB -0.089 40.751 40.800 0.067 0.000 1.315 81 D HN 0.216 nan 8.370 nan 0.000 0.667 82 S N -0.233 115.524 115.700 0.096 0.000 2.855 82 S HA 0.648 5.118 4.470 -0.001 0.000 0.249 82 S C 0.757 175.431 174.600 0.123 0.000 1.033 82 S CA 0.068 58.344 58.200 0.126 0.000 1.038 82 S CB 0.823 64.098 63.200 0.124 0.000 0.960 82 S HN 0.928 nan 8.310 nan 0.000 0.548 83 G N 1.218 110.078 108.800 0.100 0.000 2.627 83 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.214 83 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.214 83 G C 0.144 175.082 174.900 0.063 0.000 1.331 83 G CA -0.441 44.711 45.100 0.086 0.000 0.891 83 G HN 0.265 nan 8.290 nan 0.000 0.539 84 L N 0.077 121.331 121.223 0.051 0.000 2.492 84 L HA 0.152 4.491 4.340 -0.001 0.000 0.223 84 L C 1.430 178.314 176.870 0.023 0.000 1.132 84 L CA 0.736 55.594 54.840 0.030 0.000 0.850 84 L CB -0.264 41.807 42.059 0.020 0.000 0.966 84 L HN 0.305 nan 8.230 nan 0.000 0.454 85 K N 1.754 122.178 120.400 0.041 0.000 2.273 85 K HA 0.332 4.651 4.320 -0.001 0.000 0.287 85 K C -0.249 176.375 176.600 0.041 0.000 1.089 85 K CA -0.243 56.064 56.287 0.034 0.000 0.909 85 K CB 0.924 33.458 32.500 0.057 0.000 1.123 85 K HN 0.078 nan 8.250 nan 0.000 0.473 86 I N 1.988 122.566 120.570 0.014 0.000 2.598 86 I HA -0.060 4.109 4.170 -0.001 0.000 0.284 86 I C 1.346 177.484 176.117 0.036 0.000 1.140 86 I CA 0.681 61.995 61.300 0.023 0.000 1.420 86 I CB 0.377 38.380 38.000 0.004 0.000 1.387 86 I HN 0.944 nan 8.210 nan 0.000 0.553 87 G N 4.373 113.206 108.800 0.055 0.000 2.179 87 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.257 87 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.257 87 G C 0.282 175.235 174.900 0.087 0.000 1.010 87 G CA 0.158 45.294 45.100 0.060 0.000 0.736 87 G HN 0.971 nan 8.290 nan 0.000 0.513 88 A N -0.641 122.248 122.820 0.114 0.000 2.246 88 A HA 0.669 4.989 4.320 -0.001 0.000 0.291 88 A C 0.553 178.268 177.584 0.218 0.000 1.103 88 A CA -0.426 51.716 52.037 0.174 0.000 0.844 88 A CB 0.364 19.469 19.000 0.175 0.000 1.136 88 A HN 0.589 nan 8.150 nan 0.000 0.500 89 H N 0.345 119.555 119.070 0.234 0.000 2.929 89 H HA 0.103 4.658 4.556 -0.001 0.000 0.317 89 H C 0.702 176.166 175.328 0.228 0.000 1.031 89 H CA 0.749 56.951 56.048 0.256 0.000 1.466 89 H CB 0.842 30.772 29.762 0.280 0.000 1.482 89 H HN 0.658 nan 8.280 nan 0.000 0.561 90 K N 3.289 123.913 120.400 0.373 0.000 2.365 90 K HA -0.097 4.222 4.320 -0.001 0.000 0.199 90 K C 1.692 178.560 176.600 0.446 0.000 1.045 90 K CA 0.906 57.460 56.287 0.445 0.000 0.962 90 K CB 0.281 33.064 32.500 0.472 0.000 0.759 90 K HN 0.538 nan 8.250 nan 0.000 0.469 91 K N 0.213 120.734 120.400 0.200 0.000 2.487 91 K HA 0.034 4.354 4.320 -0.001 0.000 0.192 91 K C 0.263 176.880 176.600 0.027 0.000 1.027 91 K CA 0.486 56.572 56.287 -0.335 0.000 1.054 91 K CB 0.202 31.844 32.500 -1.429 0.000 0.824 91 K HN -0.097 nan 8.250 nan 0.000 0.510 92 N N 2.535 121.360 118.700 0.209 0.000 2.484 92 N HA -0.006 4.733 4.740 -0.001 0.000 0.245 92 N C -0.590 175.154 175.510 0.390 0.000 1.184 92 N CA 0.373 53.570 53.050 0.244 0.000 0.884 92 N CB 0.681 39.370 38.487 0.337 0.000 1.182 92 N HN 0.430 nan 8.380 nan 0.000 0.493 93 T N -4.301 110.466 114.554 0.354 0.000 2.945 93 T HA 0.338 4.688 4.350 -0.001 0.000 0.286 93 T C 1.583 176.475 174.700 0.319 0.000 1.025 93 T CA -0.774 61.519 62.100 0.322 0.000 1.039 93 T CB 1.670 70.676 68.868 0.230 0.000 1.068 93 T HN -0.192 nan 8.240 nan 0.000 0.497 94 V N 1.262 121.345 119.914 0.282 0.000 2.332 94 V HA -0.134 3.985 4.120 -0.001 0.000 0.248 94 V C 2.888 179.054 176.094 0.120 0.000 1.055 94 V CA 1.780 64.227 62.300 0.244 0.000 1.038 94 V CB -0.815 31.093 31.823 0.142 0.000 0.651 94 V HN 0.887 nan 8.190 nan 0.000 0.450 95 E N -0.536 119.673 120.200 0.015 0.000 2.085 95 E HA -0.212 4.137 4.350 -0.001 0.000 0.194 95 E C 2.124 178.651 176.600 -0.123 0.000 0.994 95 E CA 1.597 57.931 56.400 -0.109 0.000 0.801 95 E CB -0.246 29.295 29.700 -0.265 0.000 0.743 95 E HN 0.744 nan 8.360 nan 0.000 0.453 96 Y N 1.006 121.377 120.300 0.118 0.000 2.395 96 Y HA -0.040 4.509 4.550 -0.001 0.000 0.293 96 Y C 2.423 178.343 175.900 0.033 0.000 1.123 96 Y CA 0.622 58.779 58.100 0.094 0.000 1.227 96 Y CB -0.109 38.410 38.460 0.099 0.000 1.012 96 Y HN 0.021 nan 8.280 nan 0.000 0.552 97 Q N 0.362 120.249 119.800 0.145 0.000 2.224 97 Q HA -0.135 4.204 4.340 -0.001 0.000 0.203 97 Q C 1.730 177.785 176.000 0.093 0.000 0.970 97 Q CA 1.129 56.971 55.803 0.065 0.000 0.865 97 Q CB -0.123 28.615 28.738 -0.001 0.000 0.922 97 Q HN 0.506 nan 8.270 nan 0.000 0.445 98 K N 0.375 120.833 120.400 0.098 0.000 2.186 98 K HA 0.048 4.368 4.320 -0.001 0.000 0.202 98 K C 0.409 177.058 176.600 0.082 0.000 1.052 98 K CA 0.436 56.769 56.287 0.078 0.000 0.965 98 K CB 0.402 32.936 32.500 0.057 0.000 0.746 98 K HN 0.107 nan 8.250 nan 0.000 0.457 99 N N 1.359 120.126 118.700 0.112 0.000 2.765 99 N HA 0.079 4.818 4.740 -0.001 0.000 0.277 99 N C 0.214 175.857 175.510 0.223 0.000 1.750 99 N CA 0.012 53.145 53.050 0.138 0.000 0.827 99 N CB 1.118 39.672 38.487 0.112 0.000 1.200 99 N HN 0.059 nan 8.380 nan 0.000 0.494 100 I N 0.266 120.947 120.570 0.186 0.000 2.567 100 I HA -0.189 3.980 4.170 -0.001 0.000 0.257 100 I C 0.660 176.905 176.117 0.213 0.000 1.184 100 I CA 1.375 62.789 61.300 0.190 0.000 1.451 100 I CB 0.343 38.407 38.000 0.106 0.000 1.089 100 I HN 0.115 nan 8.210 nan 0.000 0.441 101 D N 0.950 121.474 120.400 0.206 0.000 2.312 101 D HA -0.121 4.518 4.640 -0.001 0.000 0.211 101 D C 1.885 178.285 176.300 0.168 0.000 0.964 101 D CA 0.559 54.678 54.000 0.198 0.000 0.877 101 D CB 0.027 40.975 40.800 0.246 0.000 0.924 101 D HN 0.287 nan 8.370 nan 0.000 0.515 102 K N 0.087 120.624 120.400 0.229 0.000 2.365 102 K HA -0.055 4.264 4.320 -0.001 0.000 0.199 102 K C 1.685 178.394 176.600 0.181 0.000 1.045 102 K CA -0.045 56.382 56.287 0.232 0.000 0.962 102 K CB -0.332 32.367 32.500 0.332 0.000 0.759 102 K HN 0.189 nan 8.250 nan 0.000 0.469 103 F N 1.244 121.181 119.950 -0.022 0.000 2.333 103 F HA -0.157 4.369 4.527 -0.001 0.000 0.300 103 F C 2.056 177.737 175.800 -0.198 0.000 1.083 103 F CA 0.482 58.299 58.000 -0.304 0.000 1.395 103 F CB -0.202 38.585 39.000 -0.355 0.000 1.056 103 F HN -0.234 nan 8.300 nan 0.000 0.529 104 V N 0.720 120.546 119.914 -0.146 0.000 2.469 104 V HA -0.366 3.753 4.120 -0.001 0.000 0.251 104 V C 1.746 177.656 176.094 -0.307 0.000 1.064 104 V CA 2.768 64.933 62.300 -0.225 0.000 1.066 104 V CB -0.629 31.081 31.823 -0.188 0.000 0.667 104 V HN 0.464 nan 8.190 nan 0.000 0.461 105 N N -0.539 118.011 118.700 -0.250 0.000 2.188 105 N HA -0.124 4.616 4.740 -0.001 0.000 0.184 105 N C 1.656 176.988 175.510 -0.298 0.000 1.018 105 N CA 1.492 54.414 53.050 -0.214 0.000 0.858 105 N CB -0.250 38.176 38.487 -0.101 0.000 0.989 105 N HN 0.419 nan 8.380 nan 0.000 0.426 106 V N 1.365 120.985 119.914 -0.490 0.000 2.261 106 V HA -0.225 3.894 4.120 -0.001 0.000 0.246 106 V C 2.068 177.830 176.094 -0.554 0.000 1.047 106 V CA 1.471 63.428 62.300 -0.572 0.000 1.015 106 V CB -0.561 30.676 31.823 -0.977 0.000 0.642 106 V HN 0.291 nan 8.190 nan 0.000 0.446 107 I N -0.249 119.885 120.570 -0.726 0.000 2.118 107 I HA -0.303 3.867 4.170 -0.001 0.000 0.241 107 I C 2.751 178.615 176.117 -0.421 0.000 1.070 107 I CA 1.560 62.491 61.300 -0.615 0.000 1.327 107 I CB -0.506 37.172 38.000 -0.537 0.000 1.034 107 I HN 0.322 nan 8.210 nan 0.000 0.405 108 Q N 0.417 120.026 119.800 -0.318 0.000 2.170 108 Q HA -0.112 4.227 4.340 -0.001 0.000 0.203 108 Q C 2.292 178.194 176.000 -0.164 0.000 0.976 108 Q CA 1.640 57.313 55.803 -0.217 0.000 0.858 108 Q CB -0.685 27.942 28.738 -0.185 0.000 0.907 108 Q HN 0.637 nan 8.270 nan 0.000 0.433 109 G N 1.221 109.921 108.800 -0.166 0.000 2.598 109 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.215 109 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.215 109 G C 0.979 175.835 174.900 -0.072 0.000 1.131 109 G CA 0.433 45.472 45.100 -0.102 0.000 0.785 109 G HN 0.485 nan 8.290 nan 0.000 0.539 110 Q N -0.527 119.215 119.800 -0.097 0.000 2.141 110 Q HA 0.450 4.789 4.340 -0.001 0.000 0.248 110 Q C -0.355 175.635 176.000 -0.017 0.000 0.834 110 Q CA -0.287 55.499 55.803 -0.029 0.000 1.096 110 Q CB 0.227 28.976 28.738 0.017 0.000 1.189 110 Q HN 0.225 nan 8.270 nan 0.000 0.471 111 L N 1.902 123.090 121.223 -0.058 0.000 2.294 111 L HA 0.537 4.876 4.340 -0.001 0.000 0.283 111 L C -0.994 175.878 176.870 0.004 0.000 1.015 111 L CA -0.843 53.984 54.840 -0.023 0.000 0.831 111 L CB 1.477 43.487 42.059 -0.081 0.000 1.217 111 L HN 0.230 nan 8.230 nan 0.000 0.420 112 M N 2.277 121.906 119.600 0.048 0.000 2.149 112 M HA 0.288 4.767 4.480 -0.001 0.000 0.342 112 M C 0.167 176.506 176.300 0.066 0.000 1.068 112 M CA -0.084 55.251 55.300 0.057 0.000 0.991 112 M CB 1.711 34.365 32.600 0.090 0.000 1.596 112 M HN 0.311 nan 8.290 nan 0.000 0.439 113 S N 1.780 117.505 115.700 0.042 0.000 2.552 113 S HA 0.083 4.552 4.470 -0.001 0.000 0.289 113 S C 1.474 176.112 174.600 0.063 0.000 1.304 113 S CA -0.538 57.687 58.200 0.042 0.000 1.063 113 S CB 0.547 63.758 63.200 0.018 0.000 0.848 113 S HN 0.588 nan 8.310 nan 0.000 0.499 114 V N 2.514 122.481 119.914 0.087 0.000 2.323 114 V HA 0.004 4.123 4.120 -0.001 0.000 0.244 114 V C 1.212 177.309 176.094 0.005 0.000 1.041 114 V CA 1.439 63.782 62.300 0.072 0.000 1.025 114 V CB 0.068 31.980 31.823 0.147 0.000 0.656 114 V HN 0.790 nan 8.190 nan 0.000 0.451 115 S N -0.464 115.258 115.700 0.038 0.000 2.776 115 S HA 0.537 5.006 4.470 -0.001 0.000 0.284 115 S C -1.126 173.475 174.600 0.002 0.000 1.160 115 S CA -0.450 57.733 58.200 -0.027 0.000 1.051 115 S CB 1.433 64.572 63.200 -0.102 0.000 1.037 115 S HN 0.007 nan 8.310 nan 0.000 0.485 116 V N 7.987 127.888 119.914 -0.022 0.000 2.384 116 V HA 0.558 4.678 4.120 -0.001 0.000 0.287 116 V C -1.948 174.126 176.094 -0.034 0.000 1.020 116 V CA -1.807 60.480 62.300 -0.021 0.000 0.850 116 V CB 1.605 33.415 31.823 -0.022 0.000 0.987 116 V HN 0.710 nan 8.190 nan 0.000 0.436 117 P HA 0.161 nan 4.420 nan 0.000 0.274 117 P C -0.158 177.113 177.300 -0.048 0.000 1.246 117 P CA -0.115 62.962 63.100 -0.038 0.000 0.795 117 P CB 0.908 32.586 31.700 -0.036 0.000 1.006 118 V N 2.220 122.109 119.914 -0.043 0.000 2.617 118 V HA -0.055 4.064 4.120 -0.001 0.000 0.304 118 V C 1.300 177.337 176.094 -0.096 0.000 1.040 118 V CA 0.270 62.539 62.300 -0.051 0.000 1.149 118 V CB -0.758 31.057 31.823 -0.012 0.000 0.914 118 V HN 0.631 nan 8.190 nan 0.000 0.487 119 N N 3.565 122.201 118.700 -0.107 0.000 2.458 119 N HA 0.113 4.853 4.740 -0.001 0.000 0.270 119 N C 0.543 175.870 175.510 -0.305 0.000 1.102 119 N CA 0.264 53.224 53.050 -0.150 0.000 0.967 119 N CB 1.586 40.018 38.487 -0.092 0.000 1.078 119 N HN 0.863 nan 8.380 nan 0.000 0.471 120 T N 0.988 115.249 114.554 -0.488 0.000 3.228 120 T HA 0.279 4.629 4.350 -0.001 0.000 0.278 120 T C 0.819 175.085 174.700 -0.722 0.000 1.014 120 T CA -0.455 60.950 62.100 -1.157 0.000 0.904 120 T CB -0.385 67.911 68.868 -0.954 0.000 1.110 120 T HN 0.278 nan 8.240 nan 0.000 0.541 121 L N 1.864 122.918 121.223 -0.282 0.000 2.416 121 L HA 0.365 4.705 4.340 -0.001 0.000 0.272 121 L C 0.074 176.995 176.870 0.085 0.000 1.161 121 L CA -0.741 54.048 54.840 -0.084 0.000 0.845 121 L CB 0.948 42.985 42.059 -0.037 0.000 1.119 121 L HN 0.083 nan 8.230 nan 0.000 0.464 122 V N 4.693 124.675 119.914 0.112 0.000 2.385 122 V HA 0.161 4.280 4.120 -0.001 0.000 0.269 122 V C 0.169 176.330 176.094 0.112 0.000 1.043 122 V CA -0.451 61.963 62.300 0.190 0.000 0.906 122 V CB 1.513 33.430 31.823 0.156 0.000 0.995 122 V HN 0.403 nan 8.190 nan 0.000 0.467 123 V N 5.474 125.455 119.914 0.111 0.000 2.311 123 V HA 0.346 4.465 4.120 -0.001 0.000 0.275 123 V C 0.196 176.321 176.094 0.052 0.000 1.022 123 V CA -0.439 61.903 62.300 0.070 0.000 0.830 123 V CB 1.324 33.189 31.823 0.070 0.000 1.012 123 V HN 1.066 nan 8.190 nan 0.000 0.452 124 D N 1.969 122.392 120.400 0.038 0.000 2.571 124 D HA 0.021 4.661 4.640 -0.001 0.000 0.239 124 D C 1.116 177.425 176.300 0.016 0.000 1.267 124 D CA 0.207 54.220 54.000 0.022 0.000 0.823 124 D CB 0.417 41.229 40.800 0.020 0.000 1.056 124 D HN 0.548 nan 8.370 nan 0.000 0.494 125 T N -2.112 112.455 114.554 0.021 0.000 3.182 125 T HA 0.305 4.655 4.350 -0.001 0.000 0.277 125 T C 0.725 175.437 174.700 0.020 0.000 1.013 125 T CA -0.534 61.577 62.100 0.017 0.000 0.900 125 T CB -0.304 68.575 68.868 0.017 0.000 1.098 125 T HN 0.033 nan 8.240 nan 0.000 0.543 126 L N 2.275 123.512 121.223 0.024 0.000 2.506 126 L HA 0.200 4.539 4.340 -0.001 0.000 0.281 126 L C 1.148 178.030 176.870 0.020 0.000 1.228 126 L CA -0.316 54.541 54.840 0.028 0.000 0.850 126 L CB 0.217 42.297 42.059 0.035 0.000 1.110 126 L HN 0.256 nan 8.230 nan 0.000 0.496 127 S N 2.398 118.112 115.700 0.024 0.000 2.560 127 S HA 0.113 4.582 4.470 -0.001 0.000 0.284 127 S C -1.390 173.218 174.600 0.013 0.000 1.327 127 S CA -1.072 57.139 58.200 0.018 0.000 1.055 127 S CB 0.870 64.085 63.200 0.023 0.000 0.868 127 S HN 0.403 nan 8.310 nan 0.000 0.506 128 P HA -0.080 nan 4.420 nan 0.000 0.220 128 P C 1.279 178.579 177.300 0.000 0.000 1.144 128 P CA 1.312 64.409 63.100 -0.006 0.000 0.800 128 P CB -0.150 31.546 31.700 -0.007 0.000 0.772 129 T N -5.768 108.796 114.554 0.015 0.000 3.067 129 T HA 0.097 4.447 4.350 -0.001 0.000 0.261 129 T C 1.016 175.746 174.700 0.051 0.000 1.110 129 T CA 0.052 62.168 62.100 0.027 0.000 1.113 129 T CB -0.553 68.332 68.868 0.029 0.000 0.917 129 T HN -0.103 nan 8.240 nan 0.000 0.499 130 S N 1.447 117.181 115.700 0.058 0.000 2.564 130 S HA 0.260 4.729 4.470 -0.001 0.000 0.278 130 S C -0.521 174.161 174.600 0.138 0.000 1.333 130 S CA -0.979 57.284 58.200 0.105 0.000 1.048 130 S CB 0.097 63.354 63.200 0.095 0.000 0.900 130 S HN 0.591 nan 8.310 nan 0.000 0.505 131 W N 3.230 124.537 121.300 0.012 0.000 2.347 131 W HA 0.151 4.811 4.660 -0.001 0.000 0.333 131 W C 0.315 176.848 176.519 0.023 0.000 1.383 131 W CA 0.398 57.750 57.345 0.011 0.000 1.283 131 W CB 0.174 29.642 29.460 0.012 0.000 1.253 131 W HN 0.544 nan 8.180 nan 0.000 0.563 132 Q N 4.600 124.102 119.800 -0.496 0.000 2.372 132 Q HA 0.640 4.979 4.340 -0.001 0.000 0.273 132 Q C -0.781 174.777 176.000 -0.737 0.000 1.078 132 Q CA -0.897 54.689 55.803 -0.361 0.000 0.806 132 Q CB 1.897 30.493 28.738 -0.237 0.000 1.332 132 Q HN 0.588 nan 8.270 nan 0.000 0.435 133 A N 1.746 124.349 122.820 -0.362 0.000 2.322 133 A HA 0.392 4.711 4.320 -0.001 0.000 0.269 133 A C 0.347 177.758 177.584 -0.289 0.000 1.094 133 A CA -0.230 51.632 52.037 -0.291 0.000 0.807 133 A CB 1.110 20.209 19.000 0.165 0.000 1.047 133 A HN 0.842 nan 8.150 nan 0.000 0.487 134 S N -0.805 114.746 115.700 -0.249 0.000 2.486 134 S HA 0.116 4.585 4.470 -0.001 0.000 0.220 134 S C 0.893 175.376 174.600 -0.196 0.000 1.011 134 S CA 0.965 59.041 58.200 -0.208 0.000 0.921 134 S CB -0.044 63.054 63.200 -0.169 0.000 0.785 134 S HN 1.097 nan 8.310 nan 0.000 0.517 135 T N -1.463 113.015 114.554 -0.127 0.000 2.838 135 T HA 0.629 4.978 4.350 -0.001 0.000 0.292 135 T C -0.930 173.705 174.700 -0.108 0.000 1.113 135 T CA -0.720 61.301 62.100 -0.132 0.000 1.008 135 T CB 0.690 69.585 68.868 0.045 0.000 1.259 135 T HN -0.087 nan 8.240 nan 0.000 0.520 136 F N 2.906 122.937 119.950 0.135 0.000 2.605 136 F HA 0.398 4.925 4.527 -0.001 0.000 0.352 136 F C 0.369 176.219 175.800 0.083 0.000 1.236 136 F CA -1.790 56.251 58.000 0.067 0.000 1.267 136 F CB -0.911 38.099 39.000 0.016 0.000 1.632 136 F HN 0.545 nan 8.300 nan 0.000 0.639 137 F N -0.664 119.390 119.950 0.174 0.000 2.368 137 F HA 0.595 5.121 4.527 -0.001 0.000 0.308 137 F C -0.058 175.816 175.800 0.123 0.000 1.198 137 F CA -1.720 56.359 58.000 0.131 0.000 1.130 137 F CB -0.224 38.844 39.000 0.113 0.000 1.300 137 F HN -0.168 nan 8.300 nan 0.000 0.537 138 V N 2.647 122.688 119.914 0.210 0.000 2.421 138 V HA 0.286 4.405 4.120 -0.001 0.000 0.271 138 V C 0.138 176.241 176.094 0.014 0.000 1.031 138 V CA -0.043 62.301 62.300 0.073 0.000 1.032 138 V CB -0.664 31.230 31.823 0.120 0.000 1.009 138 V HN 0.705 nan 8.190 nan 0.000 0.477 139 R N 3.832 124.241 120.500 -0.152 0.000 2.744 139 R HA 0.459 4.798 4.340 -0.001 0.000 0.279 139 R C 0.109 176.361 176.300 -0.081 0.000 0.977 139 R CA -0.898 55.089 56.100 -0.188 0.000 0.906 139 R CB 1.366 31.423 30.300 -0.405 0.000 1.197 139 R HN 0.708 nan 8.270 nan 0.000 0.463 140 N N 0.819 119.496 118.700 -0.039 0.000 2.735 140 N HA -0.196 4.543 4.740 -0.001 0.000 0.248 140 N C 0.463 175.960 175.510 -0.022 0.000 1.083 140 N CA 1.533 54.566 53.050 -0.028 0.000 0.703 140 N CB -1.178 37.285 38.487 -0.039 0.000 1.005 140 N HN 1.082 nan 8.380 nan 0.000 0.550 141 G N -1.674 107.119 108.800 -0.012 0.000 2.148 141 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.254 141 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.254 141 G C 0.294 175.187 174.900 -0.012 0.000 0.981 141 G CA 0.935 46.031 45.100 -0.006 0.000 0.670 141 G HN 1.346 nan 8.290 nan 0.000 0.528 142 S N -0.568 115.119 115.700 -0.022 0.000 2.584 142 S HA 0.456 4.925 4.470 -0.001 0.000 0.270 142 S C 0.125 174.712 174.600 -0.021 0.000 1.346 142 S CA 0.147 58.331 58.200 -0.028 0.000 1.018 142 S CB 1.770 64.945 63.200 -0.041 0.000 0.899 142 S HN 0.762 nan 8.310 nan 0.000 0.542 143 N N 2.034 120.714 118.700 -0.034 0.000 2.511 143 N HA 0.375 5.114 4.740 -0.001 0.000 0.249 143 N C -1.758 173.732 175.510 -0.032 0.000 0.971 143 N CA -2.540 50.483 53.050 -0.045 0.000 0.938 143 N CB 1.427 39.857 38.487 -0.094 0.000 1.131 143 N HN 0.361 nan 8.380 nan 0.000 0.505 144 P HA -0.030 nan 4.420 nan 0.000 0.233 144 P C 0.303 177.621 177.300 0.030 0.000 1.167 144 P CA 0.753 63.868 63.100 0.024 0.000 0.770 144 P CB 0.596 32.327 31.700 0.051 0.000 0.837 145 E N -0.113 120.090 120.200 0.005 0.000 2.274 145 E HA -0.098 4.251 4.350 -0.001 0.000 0.194 145 E C 0.920 177.521 176.600 0.001 0.000 0.996 145 E CA 0.613 57.034 56.400 0.036 0.000 0.840 145 E CB -0.159 29.500 29.700 -0.068 0.000 0.772 145 E HN 0.300 nan 8.360 nan 0.000 0.491 146 Q N 2.225 121.991 119.800 -0.056 0.000 2.307 146 Q HA 0.021 4.361 4.340 -0.001 0.000 0.259 146 Q C -0.824 175.180 176.000 0.006 0.000 0.998 146 Q CA -0.140 55.628 55.803 -0.058 0.000 0.923 146 Q CB 0.718 29.411 28.738 -0.075 0.000 1.196 146 Q HN -0.188 nan 8.270 nan 0.000 0.416 147 D N 6.085 126.508 120.400 0.039 0.000 2.358 147 D HA 0.068 4.707 4.640 -0.001 0.000 0.258 147 D C -1.716 174.599 176.300 0.025 0.000 1.223 147 D CA -1.885 52.140 54.000 0.042 0.000 0.886 147 D CB 1.269 42.109 40.800 0.066 0.000 1.120 147 D HN 0.429 nan 8.370 nan 0.000 0.482 148 P HA -0.073 nan 4.420 nan 0.000 0.226 148 P C 1.196 178.498 177.300 0.004 0.000 1.153 148 P CA 0.665 63.762 63.100 -0.004 0.000 0.777 148 P CB 0.321 32.006 31.700 -0.025 0.000 0.794 149 L N -1.248 119.982 121.223 0.011 0.000 2.607 149 L HA 0.194 4.534 4.340 -0.001 0.000 0.228 149 L C 1.493 178.379 176.870 0.027 0.000 1.123 149 L CA 0.194 55.042 54.840 0.014 0.000 0.890 149 L CB -0.182 41.881 42.059 0.007 0.000 1.103 149 L HN -0.180 nan 8.230 nan 0.000 0.468 150 R N -0.014 120.512 120.500 0.043 0.000 2.776 150 R HA 0.212 4.552 4.340 -0.001 0.000 0.391 150 R C -0.364 175.996 176.300 0.099 0.000 1.116 150 R CA -0.267 55.873 56.100 0.067 0.000 1.056 150 R CB 0.315 30.658 30.300 0.071 0.000 1.369 150 R HN 0.073 nan 8.270 nan 0.000 0.590 151 N N 0.517 119.252 118.700 0.058 0.000 2.483 151 N HA 0.378 5.117 4.740 -0.001 0.000 0.285 151 N C -0.765 174.662 175.510 -0.139 0.000 1.210 151 N CA -0.604 52.465 53.050 0.033 0.000 0.931 151 N CB 1.149 39.652 38.487 0.025 0.000 1.220 151 N HN 0.074 nan 8.380 nan 0.000 0.542 152 L N 1.960 122.946 121.223 -0.395 0.000 2.426 152 L HA 0.224 4.564 4.340 -0.001 0.000 0.255 152 L C 1.328 178.014 176.870 -0.307 0.000 1.080 152 L CA -0.295 54.182 54.840 -0.604 0.000 0.960 152 L CB 0.710 41.996 42.059 -1.289 0.000 1.326 152 L HN 0.659 nan 8.230 nan 0.000 0.441 153 S N -0.119 115.495 115.700 -0.144 0.000 2.447 153 S HA -0.100 4.370 4.470 -0.001 0.000 0.233 153 S C 1.727 176.290 174.600 -0.061 0.000 1.006 153 S CA 0.944 59.106 58.200 -0.062 0.000 0.957 153 S CB -0.093 63.083 63.200 -0.040 0.000 0.773 153 S HN 0.649 nan 8.310 nan 0.000 0.507 154 G N 0.339 109.083 108.800 -0.093 0.000 2.712 154 G HA2 0.097 4.057 3.960 -0.001 0.000 0.212 154 G HA3 0.097 4.057 3.960 -0.001 0.000 0.212 154 G C 0.574 175.436 174.900 -0.063 0.000 1.142 154 G CA -0.286 44.772 45.100 -0.070 0.000 0.789 154 G HN 0.368 nan 8.290 nan 0.000 0.535 155 Q N 0.619 120.361 119.800 -0.096 0.000 2.337 155 Q HA 0.510 4.849 4.340 -0.001 0.000 0.270 155 Q C -0.172 175.858 176.000 0.051 0.000 1.002 155 Q CA 0.242 56.020 55.803 -0.041 0.000 0.888 155 Q CB 1.412 30.108 28.738 -0.069 0.000 1.222 155 Q HN 0.275 nan 8.270 nan 0.000 0.400 156 A N 2.076 124.937 122.820 0.068 0.000 2.587 156 A HA 0.734 5.053 4.320 -0.001 0.000 0.293 156 A C -0.976 176.677 177.584 0.114 0.000 1.087 156 A CA -0.586 51.499 52.037 0.081 0.000 0.692 156 A CB 1.395 20.421 19.000 0.045 0.000 1.291 156 A HN 0.471 nan 8.150 nan 0.000 0.407 157 V N -1.813 118.182 119.914 0.135 0.000 3.001 157 V HA 0.938 5.057 4.120 -0.001 0.000 0.314 157 V C -0.395 175.792 176.094 0.154 0.000 1.099 157 V CA -0.523 61.880 62.300 0.172 0.000 0.989 157 V CB 1.621 33.602 31.823 0.263 0.000 1.040 157 V HN 0.856 nan 8.190 nan 0.000 0.434 158 T N 2.883 117.529 114.554 0.153 0.000 2.792 158 T HA 0.584 4.933 4.350 -0.001 0.000 0.280 158 T C -0.295 174.456 174.700 0.086 0.000 0.990 158 T CA -0.440 61.740 62.100 0.132 0.000 0.960 158 T CB 1.092 70.070 68.868 0.182 0.000 0.939 158 T HN 0.758 nan 8.240 nan 0.000 0.439 159 R N 2.609 123.147 120.500 0.063 0.000 2.402 159 R HA 0.592 4.931 4.340 -0.001 0.000 0.290 159 R C -0.757 175.563 176.300 0.033 0.000 1.321 159 R CA -0.543 55.566 56.100 0.015 0.000 1.283 159 R CB 0.837 31.122 30.300 -0.025 0.000 1.111 159 R HN 0.533 nan 8.270 nan 0.000 0.578 160 V N -1.696 118.239 119.914 0.035 0.000 3.178 160 V HA 0.460 4.579 4.120 -0.001 0.000 0.302 160 V C -0.089 176.026 176.094 0.035 0.000 1.262 160 V CA -1.129 61.197 62.300 0.043 0.000 1.030 160 V CB 1.939 33.797 31.823 0.058 0.000 1.074 160 V HN 0.112 nan 8.190 nan 0.000 0.438 161 V N 3.038 122.976 119.914 0.040 0.000 2.599 161 V HA 0.493 4.612 4.120 -0.001 0.000 0.300 161 V C 1.763 177.878 176.094 0.036 0.000 1.034 161 V CA 1.930 64.254 62.300 0.040 0.000 1.115 161 V CB 0.105 31.955 31.823 0.044 0.000 0.934 161 V HN 2.140 nan 8.190 nan 0.000 0.485 162 G N 3.173 111.989 108.800 0.027 0.000 2.217 162 G HA2 -0.032 3.928 3.960 -0.001 0.000 0.246 162 G HA3 -0.032 3.928 3.960 -0.001 0.000 0.246 162 G C 1.032 175.910 174.900 -0.037 0.000 0.990 162 G CA 0.345 45.449 45.100 0.006 0.000 0.627 162 G HN 2.141 nan 8.290 nan 0.000 0.522 163 G N 0.187 108.974 108.800 -0.021 0.000 2.594 163 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.297 163 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.297 163 G C 1.197 176.041 174.900 -0.093 0.000 1.273 163 G CA 1.311 46.391 45.100 -0.033 0.000 0.974 163 G HN 1.101 nan 8.290 nan 0.000 0.552 164 M N 1.578 121.083 119.600 -0.158 0.000 2.557 164 M HA 0.007 4.486 4.480 -0.001 0.000 0.259 164 M C 2.656 178.610 176.300 -0.578 0.000 1.086 164 M CA 1.665 56.727 55.300 -0.397 0.000 1.096 164 M CB -0.207 32.261 32.600 -0.220 0.000 1.424 164 M HN 0.690 nan 8.290 nan 0.000 0.488 165 S N -0.551 114.869 115.700 -0.465 0.000 2.607 165 S HA -0.054 4.416 4.470 -0.001 0.000 0.224 165 S C 1.688 176.153 174.600 -0.225 0.000 0.969 165 S CA 1.044 58.852 58.200 -0.653 0.000 0.927 165 S CB -0.915 61.928 63.200 -0.596 0.000 0.772 165 S HN 0.566 nan 8.310 nan 0.000 0.533 166 T N -0.497 113.935 114.554 -0.204 0.000 3.118 166 T HA 0.000 4.350 4.350 -0.001 0.000 0.260 166 T C 1.378 175.930 174.700 -0.247 0.000 1.139 166 T CA 0.931 62.940 62.100 -0.151 0.000 1.085 166 T CB -0.699 68.173 68.868 0.007 0.000 0.934 166 T HN 0.904 nan 8.240 nan 0.000 0.518 167 H N -2.034 116.978 119.070 -0.097 0.000 3.680 167 H HA 0.201 4.756 4.556 -0.001 0.000 0.260 167 H C 0.582 176.143 175.328 0.388 0.000 1.183 167 H CA -1.005 55.144 56.048 0.168 0.000 1.159 167 H CB -0.475 29.380 29.762 0.155 0.000 1.567 167 H HN 0.490 nan 8.280 nan 0.000 0.648 168 W N 2.744 124.009 121.300 -0.060 0.000 2.034 168 W HA 0.280 4.940 4.660 -0.001 0.000 0.357 168 W C 0.070 176.715 176.519 0.209 0.000 1.326 168 W CA -0.094 57.328 57.345 0.128 0.000 1.318 168 W CB -0.226 29.229 29.460 -0.008 0.000 1.193 168 W HN -0.191 nan 8.180 nan 0.000 0.620 169 T N 0.852 115.425 114.554 0.032 0.000 3.055 169 T HA -0.017 4.332 4.350 -0.001 0.000 0.265 169 T C 1.069 175.395 174.700 -0.623 0.000 1.111 169 T CA 1.292 63.239 62.100 -0.254 0.000 1.118 169 T CB -0.498 68.371 68.868 0.002 0.000 0.909 169 T HN 0.661 nan 8.240 nan 0.000 0.501 170 C N 0.772 119.327 119.300 -1.241 0.000 4.617 170 C HA -0.104 4.356 4.460 -0.001 0.000 0.260 170 C C 1.095 175.615 174.990 -0.784 0.000 1.288 170 C CA -0.794 57.221 59.018 -1.672 0.000 1.668 170 C CB -2.629 24.608 27.740 -0.839 0.000 1.518 170 C HN 0.767 nan 8.230 nan 0.000 0.708 171 A N 1.126 123.700 122.820 -0.410 0.000 2.404 171 A HA 0.569 4.888 4.320 -0.001 0.000 0.273 171 A C 0.742 178.253 177.584 -0.122 0.000 1.144 171 A CA 1.119 53.057 52.037 -0.164 0.000 0.806 171 A CB 0.197 19.172 19.000 -0.041 0.000 1.080 171 A HN 1.399 nan 8.150 nan 0.000 0.509 172 T N 1.590 116.087 114.554 -0.095 0.000 3.410 172 T HA 0.524 4.873 4.350 -0.001 0.000 0.328 172 T C -2.740 171.917 174.700 -0.071 0.000 1.567 172 T CA -1.449 60.627 62.100 -0.040 0.000 1.626 172 T CB 0.671 69.548 68.868 0.015 0.000 0.939 172 T HN 0.454 nan 8.240 nan 0.000 0.656 173 P HA 0.409 nan 4.420 nan 0.000 0.279 173 P C -0.241 176.914 177.300 -0.241 0.000 1.252 173 P CA -0.668 62.335 63.100 -0.161 0.000 0.811 173 P CB 1.209 32.785 31.700 -0.207 0.000 1.035 174 R N 0.778 121.049 120.500 -0.381 0.000 2.531 174 R HA 0.404 4.743 4.340 -0.001 0.000 0.273 174 R C 0.066 176.240 176.300 -0.209 0.000 1.070 174 R CA -0.458 55.214 56.100 -0.714 0.000 1.112 174 R CB 0.197 29.931 30.300 -0.943 0.000 1.049 174 R HN 0.373 nan 8.270 nan 0.000 0.508 175 F N 1.970 121.682 119.950 -0.396 0.000 2.412 175 F HA 0.055 4.582 4.527 -0.001 0.000 0.348 175 F C 0.943 176.561 175.800 -0.304 0.000 1.102 175 F CA -1.485 56.316 58.000 -0.331 0.000 1.196 175 F CB 0.373 39.170 39.000 -0.337 0.000 1.144 175 F HN 0.551 nan 8.300 nan 0.000 0.541 176 D N 2.366 122.697 120.400 -0.115 0.000 2.398 176 D HA 0.140 4.779 4.640 -0.001 0.000 0.247 176 D C 1.081 177.300 176.300 -0.134 0.000 1.227 176 D CA -0.433 53.502 54.000 -0.109 0.000 0.980 176 D CB 0.510 41.261 40.800 -0.081 0.000 1.106 176 D HN 0.458 nan 8.370 nan 0.000 0.493 177 R N -0.130 120.315 120.500 -0.092 0.000 2.113 177 R HA -0.200 4.140 4.340 -0.001 0.000 0.244 177 R C 2.004 178.249 176.300 -0.092 0.000 1.142 177 R CA 2.134 58.184 56.100 -0.083 0.000 0.953 177 R CB -0.369 29.915 30.300 -0.026 0.000 0.860 177 R HN 0.644 nan 8.270 nan 0.000 0.438 178 E N 0.391 120.537 120.200 -0.089 0.000 2.209 178 E HA -0.231 4.118 4.350 -0.001 0.000 0.196 178 E C 1.679 178.178 176.600 -0.169 0.000 0.993 178 E CA 1.038 57.392 56.400 -0.077 0.000 0.819 178 E CB -0.057 29.640 29.700 -0.005 0.000 0.745 178 E HN 0.490 nan 8.360 nan 0.000 0.477 179 Q N -0.014 119.593 119.800 -0.321 0.000 2.356 179 Q HA 0.133 4.472 4.340 -0.001 0.000 0.205 179 Q C 0.441 176.319 176.000 -0.203 0.000 0.901 179 Q CA -0.124 55.403 55.803 -0.460 0.000 0.938 179 Q CB 0.586 28.738 28.738 -0.977 0.000 1.081 179 Q HN -0.002 nan 8.270 nan 0.000 0.517 180 R N 2.067 122.501 120.500 -0.110 0.000 2.445 180 R HA 0.312 4.651 4.340 -0.001 0.000 0.308 180 R C -2.557 173.719 176.300 -0.039 0.000 0.961 180 R CA -2.072 53.966 56.100 -0.102 0.000 0.862 180 R CB 1.138 31.210 30.300 -0.380 0.000 1.144 180 R HN -0.110 nan 8.270 nan 0.000 0.447 181 P HA 0.069 nan 4.420 nan 0.000 0.274 181 P C -0.618 176.847 177.300 0.277 0.000 1.231 181 P CA -0.188 62.998 63.100 0.144 0.000 0.790 181 P CB 0.814 32.608 31.700 0.156 0.000 0.951 182 L N 2.437 123.780 121.223 0.201 0.000 2.349 182 L HA 0.183 4.523 4.340 -0.001 0.000 0.275 182 L C 1.715 178.721 176.870 0.228 0.000 1.115 182 L CA -0.264 54.761 54.840 0.309 0.000 0.820 182 L CB 0.376 42.666 42.059 0.385 0.000 1.135 182 L HN 0.361 nan 8.230 nan 0.000 0.445 183 L N 3.398 124.799 121.223 0.296 0.000 2.537 183 L HA 0.207 4.546 4.340 -0.001 0.000 0.224 183 L C -0.192 176.841 176.870 0.271 0.000 1.065 183 L CA 0.219 55.118 54.840 0.099 0.000 0.860 183 L CB 0.741 42.641 42.059 -0.265 0.000 1.086 183 L HN 0.327 nan 8.230 nan 0.000 0.482 184 V N 1.015 121.102 119.914 0.289 0.000 2.531 184 V HA 0.246 4.365 4.120 -0.001 0.000 0.301 184 V C -0.407 175.796 176.094 0.181 0.000 1.034 184 V CA -0.994 61.426 62.300 0.199 0.000 0.865 184 V CB 1.697 33.580 31.823 0.100 0.000 0.995 184 V HN 0.184 nan 8.190 nan 0.000 0.424 185 K N 2.173 122.553 120.400 -0.032 0.000 2.118 185 K HA 0.514 4.833 4.320 -0.001 0.000 0.267 185 K C -0.431 176.136 176.600 -0.056 0.000 0.991 185 K CA -0.546 55.677 56.287 -0.108 0.000 0.916 185 K CB 0.867 33.093 32.500 -0.456 0.000 1.041 185 K HN 0.604 nan 8.250 nan 0.000 0.455 186 D N 0.747 121.139 120.400 -0.012 0.000 2.837 186 D HA -0.163 4.476 4.640 -0.001 0.000 0.230 186 D C -0.825 175.482 176.300 0.011 0.000 1.152 186 D CA 1.431 55.429 54.000 -0.003 0.000 0.736 186 D CB -0.817 39.966 40.800 -0.027 0.000 1.084 186 D HN 0.805 nan 8.370 nan 0.000 0.429 187 D N -1.383 119.037 120.400 0.033 0.000 2.634 187 D HA 0.385 5.024 4.640 -0.001 0.000 0.236 187 D C 0.923 177.260 176.300 0.063 0.000 1.323 187 D CA 0.232 54.255 54.000 0.038 0.000 0.884 187 D CB 0.282 41.098 40.800 0.027 0.000 1.496 187 D HN 0.003 nan 8.370 nan 0.000 0.525 188 A N 1.885 124.744 122.820 0.065 0.000 1.940 188 A HA -0.178 4.142 4.320 -0.001 0.000 0.219 188 A C 1.711 179.344 177.584 0.083 0.000 1.176 188 A CA 1.501 53.587 52.037 0.081 0.000 0.631 188 A CB -0.042 18.997 19.000 0.065 0.000 0.814 188 A HN 0.417 nan 8.150 nan 0.000 0.446 189 D N -0.040 120.397 120.400 0.063 0.000 2.097 189 D HA -0.043 4.596 4.640 -0.001 0.000 0.195 189 D C 2.248 178.587 176.300 0.065 0.000 0.989 189 D CA 1.657 55.692 54.000 0.059 0.000 0.827 189 D CB -0.388 40.437 40.800 0.042 0.000 0.966 189 D HN 0.413 nan 8.370 nan 0.000 0.456 190 A N 0.413 123.269 122.820 0.059 0.000 1.929 190 A HA -0.166 4.153 4.320 -0.001 0.000 0.216 190 A C 1.924 179.553 177.584 0.077 0.000 1.176 190 A CA 1.856 53.925 52.037 0.053 0.000 0.628 190 A CB -0.562 18.460 19.000 0.038 0.000 0.816 190 A HN 0.195 nan 8.150 nan 0.000 0.444 191 D N -0.075 120.394 120.400 0.115 0.000 2.097 191 D HA -0.168 4.471 4.640 -0.001 0.000 0.195 191 D C 1.278 177.738 176.300 0.267 0.000 0.989 191 D CA 1.609 55.724 54.000 0.192 0.000 0.827 191 D CB -0.128 40.813 40.800 0.235 0.000 0.966 191 D HN 0.330 nan 8.370 nan 0.000 0.456 192 D N -0.216 120.309 120.400 0.208 0.000 2.104 192 D HA -0.151 4.488 4.640 -0.001 0.000 0.194 192 D C 1.992 178.403 176.300 0.185 0.000 0.994 192 D CA 1.604 55.725 54.000 0.203 0.000 0.830 192 D CB -0.618 40.258 40.800 0.125 0.000 0.959 192 D HN 0.336 nan 8.370 nan 0.000 0.452 193 A N 0.509 123.399 122.820 0.116 0.000 1.898 193 A HA -0.191 4.129 4.320 -0.001 0.000 0.216 193 A C 2.140 179.757 177.584 0.055 0.000 1.181 193 A CA 1.926 54.009 52.037 0.077 0.000 0.620 193 A CB -0.526 18.501 19.000 0.046 0.000 0.819 193 A HN 0.208 nan 8.150 nan 0.000 0.442 194 E N -0.869 119.346 120.200 0.025 0.000 2.051 194 E HA -0.203 4.146 4.350 -0.001 0.000 0.192 194 E C 1.687 178.209 176.600 -0.131 0.000 0.991 194 E CA 1.554 57.900 56.400 -0.089 0.000 0.799 194 E CB -0.473 29.126 29.700 -0.168 0.000 0.748 194 E HN 0.710 nan 8.360 nan 0.000 0.449 195 W N 0.777 122.040 121.300 -0.061 0.000 2.342 195 W HA -0.144 4.515 4.660 -0.001 0.000 0.297 195 W C 2.147 178.660 176.519 -0.010 0.000 1.213 195 W CA 1.303 58.577 57.345 -0.118 0.000 1.251 195 W CB -0.343 29.090 29.460 -0.044 0.000 1.136 195 W HN 0.276 nan 8.180 nan 0.000 0.526 196 D N -0.117 120.452 120.400 0.282 0.000 2.117 196 D HA -0.201 4.439 4.640 -0.001 0.000 0.198 196 D C 2.165 178.540 176.300 0.124 0.000 0.982 196 D CA 1.412 55.547 54.000 0.225 0.000 0.828 196 D CB -0.212 40.676 40.800 0.147 0.000 0.967 196 D HN -0.026 nan 8.370 nan 0.000 0.464 197 R N -0.250 120.275 120.500 0.041 0.000 2.081 197 R HA -0.083 4.257 4.340 -0.001 0.000 0.235 197 R C 2.331 178.592 176.300 -0.065 0.000 1.131 197 R CA 1.068 57.157 56.100 -0.020 0.000 0.960 197 R CB -0.251 30.017 30.300 -0.053 0.000 0.856 197 R HN 0.267 nan 8.270 nan 0.000 0.436 198 L N -0.624 120.529 121.223 -0.117 0.000 2.044 198 L HA -0.145 4.194 4.340 -0.001 0.000 0.205 198 L C 2.306 179.106 176.870 -0.118 0.000 1.075 198 L CA 1.021 55.734 54.840 -0.211 0.000 0.747 198 L CB -0.634 41.191 42.059 -0.389 0.000 0.903 198 L HN 0.171 nan 8.230 nan 0.000 0.435 199 Y N 0.500 120.803 120.300 0.005 0.000 2.207 199 Y HA -0.259 4.290 4.550 -0.001 0.000 0.287 199 Y C 2.866 178.743 175.900 -0.039 0.000 1.156 199 Y CA 1.585 59.693 58.100 0.012 0.000 1.182 199 Y CB -1.151 37.348 38.460 0.066 0.000 0.979 199 Y HN 0.149 nan 8.280 nan 0.000 0.521 200 T N -0.593 114.029 114.554 0.113 0.000 2.777 200 T HA -0.175 4.175 4.350 -0.001 0.000 0.266 200 T C 1.984 176.650 174.700 -0.058 0.000 1.040 200 T CA 1.519 63.639 62.100 0.033 0.000 1.141 200 T CB -0.136 68.744 68.868 0.020 0.000 0.868 200 T HN 0.218 nan 8.240 nan 0.000 0.444 201 K N 0.903 121.212 120.400 -0.151 0.000 2.057 201 K HA -0.003 4.316 4.320 -0.001 0.000 0.207 201 K C 2.443 178.711 176.600 -0.552 0.000 1.049 201 K CA 1.164 57.232 56.287 -0.365 0.000 0.931 201 K CB -0.260 31.990 32.500 -0.418 0.000 0.714 201 K HN 0.266 nan 8.250 nan 0.000 0.440 202 A N 1.109 123.726 122.820 -0.340 0.000 1.930 202 A HA -0.172 4.148 4.320 -0.001 0.000 0.217 202 A C 1.793 179.375 177.584 -0.003 0.000 1.175 202 A CA 1.600 53.496 52.037 -0.236 0.000 0.627 202 A CB -0.433 18.544 19.000 -0.038 0.000 0.815 202 A HN 0.438 nan 8.150 nan 0.000 0.443 203 E N -0.484 119.756 120.200 0.067 0.000 2.110 203 E HA -0.153 4.196 4.350 -0.001 0.000 0.193 203 E C 2.223 178.898 176.600 0.126 0.000 0.988 203 E CA 1.210 57.692 56.400 0.137 0.000 0.804 203 E CB -0.154 29.600 29.700 0.090 0.000 0.745 203 E HN 0.600 nan 8.360 nan 0.000 0.458 204 S N -0.436 115.286 115.700 0.036 0.000 2.368 204 S HA -0.145 4.324 4.470 -0.001 0.000 0.224 204 S C 1.791 176.529 174.600 0.231 0.000 1.029 204 S CA 0.818 59.071 58.200 0.089 0.000 0.988 204 S CB -0.167 63.055 63.200 0.037 0.000 0.838 204 S HN 0.267 nan 8.310 nan 0.000 0.462 205 Y N 0.162 120.470 120.300 0.014 0.000 2.224 205 Y HA 0.075 4.625 4.550 -0.001 0.000 0.289 205 Y C 1.967 177.892 175.900 0.042 0.000 1.146 205 Y CA 0.234 58.310 58.100 -0.040 0.000 1.182 205 Y CB -1.028 37.321 38.460 -0.186 0.000 0.983 205 Y HN 0.332 nan 8.280 nan 0.000 0.524 206 F N 0.284 120.391 119.950 0.262 0.000 2.789 206 F HA 0.044 4.571 4.527 -0.001 0.000 0.300 206 F C 0.834 176.746 175.800 0.187 0.000 1.132 206 F CA 0.103 58.248 58.000 0.242 0.000 1.404 206 F CB -0.295 38.868 39.000 0.271 0.000 1.114 206 F HN -0.007 nan 8.300 nan 0.000 0.584 207 Q N 0.419 120.410 119.800 0.319 0.000 2.468 207 Q HA -0.198 4.141 4.340 -0.001 0.000 0.289 207 Q C 0.122 176.210 176.000 0.146 0.000 1.299 207 Q CA 0.808 56.724 55.803 0.188 0.000 0.838 207 Q CB -2.717 26.107 28.738 0.143 0.000 1.195 207 Q HN 0.222 nan 8.270 nan 0.000 0.456 208 T N 0.053 114.710 114.554 0.172 0.000 2.934 208 T HA 0.385 4.734 4.350 -0.001 0.000 0.306 208 T C 0.808 175.540 174.700 0.053 0.000 1.042 208 T CA 0.682 62.845 62.100 0.104 0.000 1.145 208 T CB 1.149 70.089 68.868 0.121 0.000 0.982 208 T HN 0.505 nan 8.240 nan 0.000 0.544 209 G N 0.704 109.518 108.800 0.024 0.000 2.682 209 G HA2 0.560 4.520 3.960 -0.001 0.000 0.290 209 G HA3 0.560 4.520 3.960 -0.001 0.000 0.290 209 G C 0.008 174.915 174.900 0.013 0.000 1.425 209 G CA -0.510 44.595 45.100 0.009 0.000 0.807 209 G HN 0.628 nan 8.290 nan 0.000 0.482 210 T N -2.398 112.163 114.554 0.012 0.000 3.337 210 T HA 0.269 4.619 4.350 -0.001 0.000 0.299 210 T C 0.078 174.790 174.700 0.022 0.000 0.998 210 T CA 0.489 62.607 62.100 0.030 0.000 0.948 210 T CB 0.371 69.263 68.868 0.039 0.000 1.170 210 T HN 0.517 nan 8.240 nan 0.000 0.508 211 D N 0.333 120.724 120.400 -0.015 0.000 2.500 211 D HA 0.059 4.698 4.640 -0.001 0.000 0.217 211 D C 1.254 177.478 176.300 -0.127 0.000 1.159 211 D CA -0.084 53.885 54.000 -0.053 0.000 0.828 211 D CB 0.010 40.775 40.800 -0.059 0.000 1.039 211 D HN 0.268 nan 8.370 nan 0.000 0.512 212 Q N -0.429 119.289 119.800 -0.137 0.000 2.369 212 Q HA 0.167 4.506 4.340 -0.001 0.000 0.206 212 Q C 0.279 175.871 176.000 -0.680 0.000 0.963 212 Q CA 0.844 56.428 55.803 -0.366 0.000 0.894 212 Q CB -0.195 28.303 28.738 -0.400 0.000 0.965 212 Q HN 0.272 nan 8.270 nan 0.000 0.475 213 F N -0.055 119.727 119.950 -0.280 0.000 2.698 213 F HA 0.228 4.755 4.527 -0.001 0.000 0.304 213 F C 1.263 176.850 175.800 -0.356 0.000 1.108 213 F CA -0.541 57.250 58.000 -0.349 0.000 1.263 213 F CB 0.366 39.081 39.000 -0.475 0.000 1.013 213 F HN -0.007 nan 8.300 nan 0.000 0.532 214 K N 0.405 120.694 120.400 -0.184 0.000 2.209 214 K HA -0.112 4.207 4.320 -0.001 0.000 0.204 214 K C 0.674 177.157 176.600 -0.194 0.000 1.048 214 K CA 1.689 57.912 56.287 -0.106 0.000 0.940 214 K CB -0.183 32.247 32.500 -0.117 0.000 0.729 214 K HN 0.324 nan 8.250 nan 0.000 0.451 215 E N 1.671 121.640 120.200 -0.385 0.000 2.496 215 E HA 0.055 4.405 4.350 -0.001 0.000 0.200 215 E C -0.717 175.709 176.600 -0.289 0.000 1.016 215 E CA -0.350 55.582 56.400 -0.780 0.000 0.962 215 E CB 0.987 30.070 29.700 -1.028 0.000 1.071 215 E HN 0.228 nan 8.360 nan 0.000 0.457 216 S N 0.675 116.348 115.700 -0.045 0.000 2.510 216 S HA 0.125 4.594 4.470 -0.001 0.000 0.279 216 S C 1.245 175.911 174.600 0.109 0.000 1.284 216 S CA -0.394 57.849 58.200 0.071 0.000 1.059 216 S CB 0.420 63.722 63.200 0.169 0.000 0.901 216 S HN 0.225 nan 8.310 nan 0.000 0.491 217 I N 4.880 125.391 120.570 -0.099 0.000 2.179 217 I HA -0.172 3.998 4.170 -0.001 0.000 0.242 217 I C 2.712 178.618 176.117 -0.352 0.000 1.088 217 I CA 1.231 62.209 61.300 -0.537 0.000 1.357 217 I CB -0.237 37.213 38.000 -0.917 0.000 1.051 217 I HN 0.698 nan 8.210 nan 0.000 0.409 218 R N -0.514 119.889 120.500 -0.163 0.000 2.096 218 R HA -0.213 4.126 4.340 -0.001 0.000 0.235 218 R C 2.348 178.660 176.300 0.020 0.000 1.127 218 R CA 1.599 57.654 56.100 -0.074 0.000 0.968 218 R CB -0.643 29.633 30.300 -0.040 0.000 0.861 218 R HN 0.434 nan 8.270 nan 0.000 0.440 219 H N 1.276 120.351 119.070 0.009 0.000 2.290 219 H HA -0.051 4.505 4.556 -0.001 0.000 0.298 219 H C 1.762 177.153 175.328 0.106 0.000 1.087 219 H CA 1.931 58.012 56.048 0.055 0.000 1.291 219 H CB -0.097 29.730 29.762 0.108 0.000 1.369 219 H HN 0.123 nan 8.280 nan 0.000 0.492 220 N N 0.068 118.865 118.700 0.162 0.000 2.244 220 N HA -0.125 4.614 4.740 -0.001 0.000 0.183 220 N C 2.022 177.683 175.510 0.252 0.000 1.016 220 N CA 0.996 54.190 53.050 0.240 0.000 0.866 220 N CB -0.177 38.665 38.487 0.592 0.000 0.980 220 N HN 0.309 nan 8.380 nan 0.000 0.430 221 L N 1.304 122.674 121.223 0.245 0.000 2.042 221 L HA -0.116 4.224 4.340 -0.001 0.000 0.210 221 L C 2.118 179.047 176.870 0.098 0.000 1.076 221 L CA 1.328 56.324 54.840 0.261 0.000 0.749 221 L CB -0.448 41.704 42.059 0.154 0.000 0.893 221 L HN -0.125 nan 8.230 nan 0.000 0.432 222 V N -0.850 119.068 119.914 0.007 0.000 2.323 222 V HA -0.225 3.894 4.120 -0.001 0.000 0.244 222 V C 2.409 178.428 176.094 -0.125 0.000 1.041 222 V CA 1.499 63.768 62.300 -0.052 0.000 1.025 222 V CB -0.617 31.150 31.823 -0.093 0.000 0.656 222 V HN 0.505 nan 8.190 nan 0.000 0.451 223 L N 1.121 122.233 121.223 -0.185 0.000 2.013 223 L HA -0.211 4.128 4.340 -0.001 0.000 0.212 223 L C 2.172 178.982 176.870 -0.101 0.000 1.073 223 L CA 2.215 56.941 54.840 -0.188 0.000 0.753 223 L CB -0.929 40.976 42.059 -0.257 0.000 0.890 223 L HN 0.319 nan 8.230 nan 0.000 0.432 224 N N -0.268 118.423 118.700 -0.015 0.000 2.188 224 N HA -0.182 4.557 4.740 -0.001 0.000 0.184 224 N C 1.815 177.314 175.510 -0.019 0.000 1.018 224 N CA 1.261 54.320 53.050 0.015 0.000 0.858 224 N CB -0.325 38.204 38.487 0.069 0.000 0.989 224 N HN 0.298 nan 8.380 nan 0.000 0.426 225 K N 1.433 121.820 120.400 -0.022 0.000 2.026 225 K HA 0.038 4.357 4.320 -0.001 0.000 0.208 225 K C 1.905 178.457 176.600 -0.079 0.000 1.048 225 K CA 1.023 57.293 56.287 -0.029 0.000 0.929 225 K CB -0.494 32.007 32.500 0.002 0.000 0.713 225 K HN 0.125 nan 8.250 nan 0.000 0.439 226 L N 0.042 121.144 121.223 -0.203 0.000 2.093 226 L HA -0.141 4.198 4.340 -0.001 0.000 0.208 226 L C 2.259 178.936 176.870 -0.323 0.000 1.085 226 L CA 1.578 56.179 54.840 -0.399 0.000 0.755 226 L CB -0.811 40.585 42.059 -1.104 0.000 0.904 226 L HN 0.251 nan 8.230 nan 0.000 0.435 227 T N -0.607 113.809 114.554 -0.230 0.000 2.635 227 T HA -0.297 4.052 4.350 -0.001 0.000 0.267 227 T C 1.774 176.533 174.700 0.098 0.000 1.040 227 T CA 1.958 64.100 62.100 0.071 0.000 1.156 227 T CB -0.171 68.747 68.868 0.085 0.000 0.863 227 T HN 0.404 nan 8.240 nan 0.000 0.430 228 E N 0.563 120.782 120.200 0.030 0.000 2.051 228 E HA -0.179 4.170 4.350 -0.001 0.000 0.192 228 E C 2.273 178.876 176.600 0.005 0.000 0.991 228 E CA 1.018 57.428 56.400 0.017 0.000 0.799 228 E CB 0.020 29.712 29.700 -0.012 0.000 0.748 228 E HN 0.384 nan 8.360 nan 0.000 0.449 229 E N -0.353 119.835 120.200 -0.020 0.000 2.118 229 E HA -0.190 4.160 4.350 -0.001 0.000 0.195 229 E C 1.031 177.482 176.600 -0.249 0.000 0.992 229 E CA 1.108 57.426 56.400 -0.137 0.000 0.804 229 E CB -0.077 29.522 29.700 -0.169 0.000 0.741 229 E HN 0.492 nan 8.360 nan 0.000 0.458 230 Y N 0.423 120.765 120.300 0.070 0.000 2.658 230 Y HA 0.170 4.719 4.550 -0.001 0.000 0.276 230 Y C 0.581 176.549 175.900 0.114 0.000 1.167 230 Y CA -0.410 57.769 58.100 0.133 0.000 1.230 230 Y CB 0.264 38.908 38.460 0.307 0.000 1.144 230 Y HN -0.223 nan 8.280 nan 0.000 0.529 231 K N 0.600 121.092 120.400 0.153 0.000 2.484 231 K HA 0.197 4.517 4.320 -0.001 0.000 0.280 231 K C 1.330 177.989 176.600 0.098 0.000 1.013 231 K CA 1.257 57.616 56.287 0.119 0.000 1.029 231 K CB -0.009 32.530 32.500 0.065 0.000 0.902 231 K HN 0.563 nan 8.250 nan 0.000 0.481 232 G N 3.064 111.923 108.800 0.098 0.000 2.189 232 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.267 232 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.267 232 G C 0.581 175.534 174.900 0.089 0.000 0.975 232 G CA 0.919 46.066 45.100 0.077 0.000 0.644 232 G HN 0.747 nan 8.290 nan 0.000 0.537 233 Q N -1.361 118.518 119.800 0.132 0.000 2.532 233 Q HA 0.318 4.657 4.340 -0.001 0.000 0.247 233 Q C 1.259 177.340 176.000 0.136 0.000 0.872 233 Q CA 0.292 56.182 55.803 0.145 0.000 0.963 233 Q CB 0.812 29.664 28.738 0.190 0.000 1.159 233 Q HN 0.493 nan 8.270 nan 0.000 0.598 234 R N 0.336 120.927 120.500 0.153 0.000 2.740 234 R HA 0.388 4.728 4.340 -0.001 0.000 0.273 234 R C -1.602 174.694 176.300 -0.006 0.000 0.998 234 R CA -0.759 55.331 56.100 -0.018 0.000 0.900 234 R CB 1.671 31.760 30.300 -0.352 0.000 1.223 234 R HN -0.033 nan 8.270 nan 0.000 0.466 235 D N 1.077 121.399 120.400 -0.130 0.000 2.163 235 D HA 0.422 5.062 4.640 -0.001 0.000 0.248 235 D C -0.799 175.332 176.300 -0.281 0.000 1.035 235 D CA 0.078 54.045 54.000 -0.056 0.000 0.872 235 D CB 1.227 42.013 40.800 -0.022 0.000 1.183 235 D HN 0.135 nan 8.370 nan 0.000 0.445 236 F N 0.616 120.573 119.950 0.011 0.000 2.546 236 F HA 0.381 4.908 4.527 -0.001 0.000 0.320 236 F C 0.642 176.458 175.800 0.026 0.000 1.076 236 F CA -0.626 57.374 58.000 -0.001 0.000 0.928 236 F CB 1.838 40.831 39.000 -0.012 0.000 1.189 236 F HN 0.212 nan 8.300 nan 0.000 0.465 237 Q N 0.047 119.958 119.800 0.185 0.000 2.814 237 Q HA 0.357 4.696 4.340 -0.001 0.000 0.322 237 Q C -1.524 174.590 176.000 0.191 0.000 0.888 237 Q CA -1.292 54.609 55.803 0.164 0.000 0.768 237 Q CB 1.710 30.509 28.738 0.102 0.000 1.443 237 Q HN 0.612 nan 8.270 nan 0.000 0.497 238 Q N 0.866 120.797 119.800 0.218 0.000 2.364 238 Q HA 0.240 4.579 4.340 -0.001 0.000 0.267 238 Q C -0.546 175.526 176.000 0.120 0.000 0.999 238 Q CA -0.231 55.710 55.803 0.230 0.000 0.886 238 Q CB 0.526 29.361 28.738 0.163 0.000 1.243 238 Q HN 0.562 nan 8.270 nan 0.000 0.415 239 I N 6.435 127.057 120.570 0.086 0.000 2.826 239 I HA -0.063 4.106 4.170 -0.001 0.000 0.295 239 I C -1.977 174.163 176.117 0.039 0.000 1.213 239 I CA -1.334 59.994 61.300 0.046 0.000 1.436 239 I CB 0.157 38.153 38.000 -0.007 0.000 1.348 239 I HN 0.460 nan 8.210 nan 0.000 0.570 240 P HA 0.208 nan 4.420 nan 0.000 0.271 240 P C -0.931 176.367 177.300 -0.004 0.000 1.233 240 P CA 0.166 63.273 63.100 0.011 0.000 0.764 240 P CB 0.413 32.105 31.700 -0.013 0.000 0.825 241 L N 2.538 123.768 121.223 0.012 0.000 2.362 241 L HA 0.615 4.954 4.340 -0.001 0.000 0.275 241 L C 0.416 177.276 176.870 -0.016 0.000 0.998 241 L CA -1.153 53.690 54.840 0.005 0.000 0.820 241 L CB 2.013 44.146 42.059 0.124 0.000 1.270 241 L HN 0.251 nan 8.230 nan 0.000 0.415 242 A N 3.274 126.041 122.820 -0.088 0.000 2.671 242 A HA 0.725 5.044 4.320 -0.001 0.000 0.306 242 A C 0.100 177.693 177.584 0.015 0.000 1.473 242 A CA 0.128 52.154 52.037 -0.018 0.000 1.155 242 A CB -0.432 18.486 19.000 -0.137 0.000 1.123 242 A HN 0.791 nan 8.150 nan 0.000 0.545 243 A N 1.747 124.543 122.820 -0.041 0.000 2.599 243 A HA 0.749 5.068 4.320 -0.001 0.000 0.294 243 A C -0.488 176.966 177.584 -0.217 0.000 1.055 243 A CA -0.470 51.436 52.037 -0.218 0.000 0.683 243 A CB 0.821 19.476 19.000 -0.576 0.000 1.278 243 A HN 0.590 nan 8.150 nan 0.000 0.412 244 T N 1.366 115.766 114.554 -0.256 0.000 2.840 244 T HA 0.473 4.822 4.350 -0.001 0.000 0.287 244 T C -0.056 174.486 174.700 -0.263 0.000 0.991 244 T CA -0.404 61.579 62.100 -0.196 0.000 0.964 244 T CB 1.147 69.960 68.868 -0.092 0.000 0.954 244 T HN 0.709 nan 8.240 nan 0.000 0.438 245 R N 2.334 122.665 120.500 -0.282 0.000 2.442 245 R HA 0.221 4.561 4.340 -0.001 0.000 0.291 245 R C 0.805 177.018 176.300 -0.146 0.000 1.069 245 R CA -0.284 55.645 56.100 -0.284 0.000 1.022 245 R CB 0.362 30.461 30.300 -0.334 0.000 0.976 245 R HN 0.395 nan 8.270 nan 0.000 0.443 246 R N 1.095 121.563 120.500 -0.053 0.000 2.307 246 R HA 0.140 4.479 4.340 -0.001 0.000 0.200 246 R C 0.052 176.335 176.300 -0.028 0.000 0.893 246 R CA 0.578 56.671 56.100 -0.012 0.000 1.042 246 R CB 0.430 30.760 30.300 0.050 0.000 1.059 246 R HN 0.775 nan 8.270 nan 0.000 0.530 247 S N -1.638 114.052 115.700 -0.017 0.000 2.636 247 S HA 0.324 4.793 4.470 -0.001 0.000 0.266 247 S C -2.672 171.900 174.600 -0.048 0.000 1.147 247 S CA -0.987 57.197 58.200 -0.027 0.000 0.815 247 S CB 1.904 65.107 63.200 0.004 0.000 1.119 247 S HN -0.261 nan 8.310 nan 0.000 0.470 248 P HA 0.015 nan 4.420 nan 0.000 0.223 248 P C 0.961 178.238 177.300 -0.039 0.000 1.144 248 P CA 1.818 64.881 63.100 -0.061 0.000 0.783 248 P CB -0.204 31.477 31.700 -0.031 0.000 0.771 249 T N -7.011 107.552 114.554 0.014 0.000 3.111 249 T HA 0.296 4.645 4.350 -0.001 0.000 0.284 249 T C -0.257 174.502 174.700 0.098 0.000 0.983 249 T CA -0.331 61.798 62.100 0.048 0.000 0.900 249 T CB -0.485 68.430 68.868 0.077 0.000 1.132 249 T HN -0.121 nan 8.240 nan 0.000 0.531 250 F N 1.658 121.554 119.950 -0.089 0.000 2.585 250 F HA 0.660 5.187 4.527 -0.001 0.000 0.319 250 F C -1.589 174.094 175.800 -0.195 0.000 1.165 250 F CA -1.173 56.771 58.000 -0.092 0.000 0.949 250 F CB 1.927 40.888 39.000 -0.065 0.000 1.218 250 F HN -0.110 nan 8.300 nan 0.000 0.453 251 V N 5.390 124.943 119.914 -0.602 0.000 2.448 251 V HA 0.287 4.406 4.120 -0.001 0.000 0.295 251 V C -0.368 175.214 176.094 -0.853 0.000 1.025 251 V CA -0.832 61.046 62.300 -0.704 0.000 0.859 251 V CB 1.683 32.886 31.823 -1.034 0.000 0.988 251 V HN 0.718 nan 8.190 nan 0.000 0.431 252 E N 4.518 124.470 120.200 -0.413 0.000 1.996 252 E HA 0.157 4.506 4.350 -0.001 0.000 0.280 252 E C -1.095 175.308 176.600 -0.330 0.000 1.092 252 E CA -0.540 55.763 56.400 -0.161 0.000 0.862 252 E CB 0.461 30.215 29.700 0.091 0.000 1.066 252 E HN 0.625 nan 8.360 nan 0.000 0.396 253 W N 2.847 124.053 121.300 -0.157 0.000 2.218 253 W HA 0.131 4.790 4.660 -0.001 0.000 0.326 253 W C 0.674 177.216 176.519 0.038 0.000 1.276 253 W CA -0.484 56.739 57.345 -0.202 0.000 1.210 253 W CB 0.950 30.042 29.460 -0.614 0.000 1.143 253 W HN 0.333 nan 8.180 nan 0.000 0.563 254 S N 1.455 117.352 115.700 0.329 0.000 2.624 254 S HA 0.631 5.100 4.470 -0.001 0.000 0.263 254 S C 0.098 175.135 174.600 0.729 0.000 1.287 254 S CA -0.559 57.912 58.200 0.452 0.000 0.990 254 S CB 1.125 64.602 63.200 0.461 0.000 0.950 254 S HN 0.511 nan 8.310 nan 0.000 0.561 255 S N -0.567 115.517 115.700 0.640 0.000 2.703 255 S HA 0.675 5.144 4.470 -0.001 0.000 0.273 255 S C 0.787 175.602 174.600 0.358 0.000 1.178 255 S CA -0.342 58.176 58.200 0.530 0.000 0.838 255 S CB 0.499 63.923 63.200 0.374 0.000 1.178 255 S HN 0.737 nan 8.310 nan 0.000 0.494 256 A N 1.675 124.596 122.820 0.169 0.000 1.927 256 A HA -0.230 4.090 4.320 -0.001 0.000 0.220 256 A C 2.013 179.650 177.584 0.089 0.000 1.185 256 A CA 2.315 54.402 52.037 0.084 0.000 0.639 256 A CB -1.599 17.421 19.000 0.033 0.000 0.820 256 A HN 0.869 nan 8.150 nan 0.000 0.451 257 N N -0.675 118.086 118.700 0.103 0.000 2.149 257 N HA -0.159 4.580 4.740 -0.001 0.000 0.188 257 N C 1.582 177.124 175.510 0.053 0.000 1.019 257 N CA 2.088 55.172 53.050 0.058 0.000 0.857 257 N CB -0.276 38.257 38.487 0.077 0.000 0.997 257 N HN 0.482 nan 8.380 nan 0.000 0.426 258 T N 0.478 115.114 114.554 0.137 0.000 2.788 258 T HA -0.067 4.283 4.350 -0.001 0.000 0.268 258 T C 2.050 176.789 174.700 0.065 0.000 1.044 258 T CA 1.177 63.361 62.100 0.140 0.000 1.139 258 T CB -0.185 68.847 68.868 0.273 0.000 0.867 258 T HN 0.062 nan 8.240 nan 0.000 0.454 259 V N -0.570 119.368 119.914 0.040 0.000 2.407 259 V HA 0.199 4.318 4.120 -0.001 0.000 0.245 259 V C 0.447 176.501 176.094 -0.067 0.000 1.041 259 V CA 0.897 63.139 62.300 -0.096 0.000 1.040 259 V CB -0.300 31.423 31.823 -0.167 0.000 0.671 259 V HN 0.477 nan 8.190 nan 0.000 0.455 260 F N 0.901 120.724 119.950 -0.211 0.000 2.604 260 F HA 0.387 4.914 4.527 -0.001 0.000 0.316 260 F C 0.167 175.847 175.800 -0.200 0.000 1.136 260 F CA -1.615 56.230 58.000 -0.259 0.000 0.989 260 F CB 1.459 40.255 39.000 -0.340 0.000 1.258 260 F HN 0.146 nan 8.300 nan 0.000 0.451 261 D N 4.843 124.793 120.400 -0.750 0.000 2.363 261 D HA -0.033 4.607 4.640 -0.001 0.000 0.220 261 D C 1.201 177.229 176.300 -0.453 0.000 0.994 261 D CA 1.047 54.764 54.000 -0.473 0.000 0.890 261 D CB -0.043 40.528 40.800 -0.382 0.000 0.906 261 D HN 0.703 nan 8.370 nan 0.000 0.530 262 L N -1.947 118.841 121.223 -0.726 0.000 4.884 262 L HA -0.244 4.095 4.340 -0.001 0.000 0.430 262 L C -0.156 176.665 176.870 -0.082 0.000 1.087 262 L CA 0.516 55.197 54.840 -0.265 0.000 1.033 262 L CB -1.351 40.711 42.059 0.005 0.000 2.030 262 L HN 0.220 nan 8.230 nan 0.000 0.762 263 Q N 0.962 120.614 119.800 -0.248 0.000 2.352 263 Q HA 0.201 4.540 4.340 -0.001 0.000 0.260 263 Q C 0.398 176.459 176.000 0.103 0.000 0.976 263 Q CA -0.014 55.743 55.803 -0.077 0.000 0.881 263 Q CB 0.558 29.215 28.738 -0.136 0.000 1.235 263 Q HN 0.130 nan 8.270 nan 0.000 0.419 264 N N 1.946 120.709 118.700 0.104 0.000 2.454 264 N HA 0.081 4.821 4.740 -0.001 0.000 0.254 264 N C -0.310 175.272 175.510 0.120 0.000 1.228 264 N CA 0.414 53.534 53.050 0.117 0.000 0.900 264 N CB 0.571 39.033 38.487 -0.042 0.000 1.089 264 N HN 0.265 nan 8.380 nan 0.000 0.449 265 R N 1.254 121.860 120.500 0.177 0.000 2.744 265 R HA 0.489 4.828 4.340 -0.001 0.000 0.279 265 R C -2.441 173.952 176.300 0.155 0.000 0.977 265 R CA -1.585 54.610 56.100 0.157 0.000 0.906 265 R CB 1.985 32.412 30.300 0.212 0.000 1.197 265 R HN 0.390 nan 8.270 nan 0.000 0.463 266 P HA 0.098 nan 4.420 nan 0.000 0.272 266 P C -1.305 176.042 177.300 0.078 0.000 1.223 266 P CA -0.222 62.958 63.100 0.134 0.000 0.784 266 P CB 0.660 32.478 31.700 0.196 0.000 0.923 267 N N -1.277 117.451 118.700 0.046 0.000 3.204 267 N HA 0.236 4.975 4.740 -0.001 0.000 0.285 267 N C 0.626 176.139 175.510 0.005 0.000 1.536 267 N CA -0.715 52.347 53.050 0.020 0.000 0.832 267 N CB -0.645 37.843 38.487 0.002 0.000 1.645 267 N HN 0.052 nan 8.380 nan 0.000 0.586 268 T N -0.646 113.905 114.554 -0.005 0.000 2.720 268 T HA -0.102 4.247 4.350 -0.001 0.000 0.268 268 T C 0.367 175.055 174.700 -0.020 0.000 1.037 268 T CA 1.672 63.766 62.100 -0.010 0.000 1.144 268 T CB -0.473 68.387 68.868 -0.012 0.000 0.864 268 T HN 0.497 nan 8.240 nan 0.000 0.444 269 D N 0.771 121.154 120.400 -0.028 0.000 2.323 269 D HA 0.193 4.832 4.640 -0.001 0.000 0.209 269 D C 0.694 176.971 176.300 -0.039 0.000 0.973 269 D CA 0.348 54.326 54.000 -0.037 0.000 0.874 269 D CB 0.206 40.976 40.800 -0.049 0.000 0.930 269 D HN 0.357 nan 8.370 nan 0.000 0.521 270 A N 1.346 124.146 122.820 -0.032 0.000 3.082 270 A HA 0.324 4.643 4.320 -0.001 0.000 0.328 270 A C -1.951 175.618 177.584 -0.026 0.000 1.089 270 A CA -0.898 51.121 52.037 -0.030 0.000 0.802 270 A CB 1.100 20.090 19.000 -0.017 0.000 1.138 270 A HN -0.165 nan 8.150 nan 0.000 0.474 271 P HA -0.082 nan 4.420 nan 0.000 0.223 271 P C 0.438 177.663 177.300 -0.125 0.000 1.151 271 P CA 1.126 64.202 63.100 -0.041 0.000 0.787 271 P CB 0.484 32.158 31.700 -0.044 0.000 0.788 272 E N -0.153 119.910 120.200 -0.228 0.000 2.476 272 E HA 0.145 4.495 4.350 -0.001 0.000 0.196 272 E C 0.302 176.712 176.600 -0.317 0.000 1.029 272 E CA 0.096 56.185 56.400 -0.519 0.000 0.896 272 E CB 0.576 30.014 29.700 -0.436 0.000 1.012 272 E HN 0.500 nan 8.360 nan 0.000 0.475 273 E N 0.885 121.045 120.200 -0.067 0.000 2.232 273 E HA 0.451 4.800 4.350 -0.001 0.000 0.265 273 E C -0.213 176.502 176.600 0.191 0.000 1.001 273 E CA -0.549 55.891 56.400 0.065 0.000 0.870 273 E CB 1.477 31.228 29.700 0.085 0.000 1.175 273 E HN -0.176 nan 8.360 nan 0.000 0.407 274 R N 1.814 122.459 120.500 0.241 0.000 2.473 274 R HA 0.394 4.733 4.340 -0.001 0.000 0.303 274 R C -1.646 174.832 176.300 0.297 0.000 1.002 274 R CA -0.506 55.754 56.100 0.266 0.000 0.884 274 R CB 0.894 31.355 30.300 0.267 0.000 1.173 274 R HN 0.385 nan 8.270 nan 0.000 0.464 275 F N 2.206 122.213 119.950 0.095 0.000 2.604 275 F HA 0.449 4.975 4.527 -0.001 0.000 0.316 275 F C -1.696 174.076 175.800 -0.047 0.000 1.136 275 F CA -0.670 57.359 58.000 0.048 0.000 0.989 275 F CB 2.028 41.123 39.000 0.158 0.000 1.258 275 F HN 0.359 nan 8.300 nan 0.000 0.451 276 N N 4.664 122.656 118.700 -1.181 0.000 2.352 276 N HA 0.568 5.307 4.740 -0.001 0.000 0.291 276 N C -2.030 172.474 175.510 -1.676 0.000 1.040 276 N CA -0.619 51.716 53.050 -1.192 0.000 0.864 276 N CB 2.322 40.304 38.487 -0.842 0.000 1.440 276 N HN 0.595 nan 8.380 nan 0.000 0.483 277 L N 2.663 123.140 121.223 -1.244 0.000 2.295 277 L HA 0.640 4.979 4.340 -0.001 0.000 0.285 277 L C -1.625 174.720 176.870 -0.875 0.000 1.035 277 L CA -0.222 54.139 54.840 -0.798 0.000 0.806 277 L CB 0.119 42.078 42.059 -0.168 0.000 1.214 277 L HN 0.457 nan 8.230 nan 0.000 0.426 278 F N 6.402 126.114 119.950 -0.398 0.000 2.443 278 F HA 0.537 5.063 4.527 -0.001 0.000 0.369 278 F C -2.129 173.625 175.800 -0.076 0.000 1.090 278 F CA -2.029 55.829 58.000 -0.238 0.000 1.129 278 F CB 0.724 39.547 39.000 -0.295 0.000 1.367 278 F HN 0.425 nan 8.300 nan 0.000 0.465 279 P HA 0.299 nan 4.420 nan 0.000 0.276 279 P C 0.001 177.363 177.300 0.104 0.000 1.261 279 P CA -0.144 63.006 63.100 0.082 0.000 0.800 279 P CB 0.994 32.721 31.700 0.045 0.000 1.066 280 A N -0.914 121.951 122.820 0.076 0.000 2.791 280 A HA -0.103 4.216 4.320 -0.001 0.000 0.292 280 A C -0.065 177.557 177.584 0.063 0.000 1.487 280 A CA 0.715 52.790 52.037 0.063 0.000 0.760 280 A CB -2.407 16.627 19.000 0.058 0.000 1.031 280 A HN 0.255 nan 8.150 nan 0.000 0.503 281 V N -0.187 119.781 119.914 0.090 0.000 2.409 281 V HA 0.655 4.775 4.120 -0.001 0.000 0.290 281 V C 0.597 176.713 176.094 0.036 0.000 1.017 281 V CA -0.328 62.027 62.300 0.092 0.000 0.841 281 V CB 1.467 33.435 31.823 0.242 0.000 1.003 281 V HN 1.490 nan 8.190 nan 0.000 0.426 282 A N 4.221 127.040 122.820 -0.002 0.000 2.404 282 A HA 0.457 4.776 4.320 -0.001 0.000 0.273 282 A C 0.109 177.680 177.584 -0.023 0.000 1.144 282 A CA -0.103 51.914 52.037 -0.032 0.000 0.806 282 A CB -0.057 18.975 19.000 0.053 0.000 1.080 282 A HN 0.852 nan 8.150 nan 0.000 0.509 283 C N 2.786 122.046 119.300 -0.066 0.000 2.307 283 C HA 0.384 4.843 4.460 -0.001 0.000 0.340 283 C C 1.352 176.309 174.990 -0.055 0.000 1.275 283 C CA -0.277 58.688 59.018 -0.088 0.000 1.811 283 C CB -0.105 27.574 27.740 -0.101 0.000 2.372 283 C HN 1.029 nan 8.230 nan 0.000 0.531 284 E N 0.873 121.057 120.200 -0.026 0.000 2.330 284 E HA 0.146 4.495 4.350 -0.001 0.000 0.200 284 E C 0.171 176.748 176.600 -0.039 0.000 0.922 284 E CA 0.411 56.803 56.400 -0.013 0.000 0.935 284 E CB 0.556 30.271 29.700 0.025 0.000 0.917 284 E HN 0.613 nan 8.360 nan 0.000 0.491 285 R N 0.424 120.894 120.500 -0.049 0.000 2.594 285 R HA 0.257 4.596 4.340 -0.001 0.000 0.265 285 R C -1.245 174.962 176.300 -0.154 0.000 1.070 285 R CA -0.526 55.509 56.100 -0.109 0.000 0.909 285 R CB 2.309 32.514 30.300 -0.160 0.000 1.243 285 R HN -0.097 nan 8.270 nan 0.000 0.455 286 V N -0.176 119.640 119.914 -0.163 0.000 2.481 286 V HA 0.606 4.726 4.120 -0.001 0.000 0.286 286 V C 0.020 175.971 176.094 -0.238 0.000 1.042 286 V CA -0.783 61.382 62.300 -0.225 0.000 0.928 286 V CB 1.672 33.353 31.823 -0.237 0.000 0.986 286 V HN 0.398 nan 8.190 nan 0.000 0.462 287 V N 5.569 125.308 119.914 -0.292 0.000 2.383 287 V HA 0.461 4.581 4.120 -0.001 0.000 0.275 287 V C 0.578 176.590 176.094 -0.136 0.000 1.036 287 V CA -0.429 61.725 62.300 -0.244 0.000 0.889 287 V CB 0.992 32.655 31.823 -0.268 0.000 0.985 287 V HN 0.937 nan 8.190 nan 0.000 0.459 288 R N 3.691 124.141 120.500 -0.082 0.000 2.459 288 R HA 0.353 4.692 4.340 -0.001 0.000 0.281 288 R C 0.193 176.506 176.300 0.022 0.000 1.050 288 R CA -0.656 55.474 56.100 0.049 0.000 1.055 288 R CB 0.801 31.119 30.300 0.029 0.000 1.045 288 R HN 0.859 nan 8.270 nan 0.000 0.495 289 N N 1.248 119.979 118.700 0.052 0.000 2.354 289 N HA 0.014 4.754 4.740 -0.001 0.000 0.246 289 N C 0.549 176.045 175.510 -0.023 0.000 1.285 289 N CA 0.027 53.079 53.050 0.003 0.000 0.925 289 N CB 0.504 38.991 38.487 -0.000 0.000 1.174 289 N HN 0.580 nan 8.380 nan 0.000 0.478 290 A N 0.438 123.239 122.820 -0.031 0.000 1.978 290 A HA -0.073 4.247 4.320 -0.001 0.000 0.220 290 A C 2.135 179.684 177.584 -0.058 0.000 1.170 290 A CA 0.964 52.977 52.037 -0.040 0.000 0.636 290 A CB -0.807 18.174 19.000 -0.030 0.000 0.810 290 A HN 0.660 nan 8.150 nan 0.000 0.448 291 L N -0.989 120.189 121.223 -0.074 0.000 2.552 291 L HA -0.020 4.319 4.340 -0.001 0.000 0.227 291 L C 0.039 176.804 176.870 -0.176 0.000 1.146 291 L CA 0.012 54.789 54.840 -0.104 0.000 0.858 291 L CB -0.411 41.589 42.059 -0.099 0.000 0.969 291 L HN 0.405 nan 8.230 nan 0.000 0.451 292 N N 0.230 118.810 118.700 -0.199 0.000 2.738 292 N HA -0.174 4.565 4.740 -0.001 0.000 0.249 292 N C 0.796 175.694 175.510 -1.020 0.000 1.047 292 N CA 1.040 53.853 53.050 -0.395 0.000 0.707 292 N CB -1.182 37.209 38.487 -0.160 0.000 0.937 292 N HN 0.537 nan 8.380 nan 0.000 0.545 293 S N -2.227 112.991 115.700 -0.803 0.000 2.687 293 S HA 0.264 4.733 4.470 -0.001 0.000 0.247 293 S C 0.219 174.580 174.600 -0.397 0.000 1.050 293 S CA -0.275 57.524 58.200 -0.669 0.000 1.063 293 S CB 1.620 64.651 63.200 -0.281 0.000 1.039 293 S HN 0.358 nan 8.310 nan 0.000 0.580 294 E N 0.403 120.496 120.200 -0.178 0.000 2.363 294 E HA 0.438 4.787 4.350 -0.001 0.000 0.281 294 E C -1.720 175.057 176.600 0.295 0.000 0.953 294 E CA -0.797 55.705 56.400 0.170 0.000 0.778 294 E CB 1.422 31.182 29.700 0.100 0.000 1.220 294 E HN 0.098 nan 8.360 nan 0.000 0.431 295 I N 3.354 124.057 120.570 0.222 0.000 2.396 295 I HA 0.153 4.322 4.170 -0.001 0.000 0.292 295 I C 0.843 176.876 176.117 -0.139 0.000 0.999 295 I CA 0.051 61.302 61.300 -0.081 0.000 1.310 295 I CB 1.386 39.100 38.000 -0.476 0.000 1.404 295 I HN 0.689 nan 8.210 nan 0.000 0.496 296 E N 2.980 123.096 120.200 -0.141 0.000 2.413 296 E HA 0.104 4.453 4.350 -0.001 0.000 0.203 296 E C 0.190 176.815 176.600 0.041 0.000 0.957 296 E CA 0.309 56.709 56.400 0.001 0.000 0.950 296 E CB 0.725 30.436 29.700 0.019 0.000 0.957 296 E HN 0.723 nan 8.360 nan 0.000 0.497 297 S N -0.391 115.247 115.700 -0.103 0.000 2.636 297 S HA 0.505 4.974 4.470 -0.001 0.000 0.266 297 S C -1.624 172.960 174.600 -0.027 0.000 1.147 297 S CA -1.051 57.204 58.200 0.092 0.000 0.815 297 S CB 1.299 64.610 63.200 0.185 0.000 1.119 297 S HN 0.009 nan 8.310 nan 0.000 0.470 298 L N 1.602 122.945 121.223 0.200 0.000 2.356 298 L HA 0.581 4.921 4.340 -0.001 0.000 0.277 298 L C -0.958 176.017 176.870 0.175 0.000 0.996 298 L CA -0.170 54.733 54.840 0.105 0.000 0.822 298 L CB 1.228 43.379 42.059 0.153 0.000 1.256 298 L HN 0.920 nan 8.230 nan 0.000 0.413 299 H N 6.021 125.049 119.070 -0.070 0.000 2.562 299 H HA 0.531 5.087 4.556 -0.001 0.000 0.314 299 H C -0.316 174.957 175.328 -0.093 0.000 1.079 299 H CA -0.554 55.457 56.048 -0.062 0.000 1.349 299 H CB 1.313 31.046 29.762 -0.049 0.000 1.432 299 H HN 0.690 nan 8.280 nan 0.000 0.479 300 I N -0.083 120.487 120.570 0.001 0.000 2.957 300 I HA 0.413 4.582 4.170 -0.001 0.000 0.310 300 I C -0.789 175.399 176.117 0.117 0.000 1.063 300 I CA -0.935 60.342 61.300 -0.039 0.000 1.033 300 I CB 2.916 40.755 38.000 -0.268 0.000 1.230 300 I HN 0.597 nan 8.210 nan 0.000 0.447 301 H N 2.824 121.900 119.070 0.010 0.000 3.078 301 H HA 0.211 4.767 4.556 -0.001 0.000 0.319 301 H C -1.528 173.853 175.328 0.089 0.000 0.995 301 H CA -0.667 55.410 56.048 0.049 0.000 1.417 301 H CB 1.360 31.143 29.762 0.036 0.000 1.598 301 H HN 0.796 nan 8.280 nan 0.000 0.515 302 D N 5.333 125.758 120.400 0.042 0.000 2.358 302 D HA -0.008 4.631 4.640 -0.001 0.000 0.258 302 D C 0.936 177.094 176.300 -0.238 0.000 1.223 302 D CA -0.037 53.957 54.000 -0.011 0.000 0.886 302 D CB 1.026 41.932 40.800 0.176 0.000 1.120 302 D HN 0.671 nan 8.370 nan 0.000 0.482 303 L N 4.351 125.456 121.223 -0.196 0.000 2.492 303 L HA -0.035 4.304 4.340 -0.001 0.000 0.223 303 L C 1.876 178.701 176.870 -0.076 0.000 1.132 303 L CA -0.061 54.652 54.840 -0.212 0.000 0.850 303 L CB 0.036 42.061 42.059 -0.057 0.000 0.966 303 L HN 0.496 nan 8.230 nan 0.000 0.454 304 I N -0.542 120.013 120.570 -0.024 0.000 2.364 304 I HA -0.125 4.044 4.170 -0.001 0.000 0.241 304 I C 2.713 178.843 176.117 0.022 0.000 1.082 304 I CA 1.589 62.897 61.300 0.013 0.000 1.401 304 I CB -1.180 36.840 38.000 0.034 0.000 1.126 304 I HN 0.265 nan 8.210 nan 0.000 0.429 305 S N 0.644 116.369 115.700 0.041 0.000 2.428 305 S HA 0.038 4.507 4.470 -0.001 0.000 0.230 305 S C 1.868 176.499 174.600 0.053 0.000 1.014 305 S CA 0.933 59.170 58.200 0.061 0.000 0.957 305 S CB -0.231 63.035 63.200 0.111 0.000 0.784 305 S HN 0.636 nan 8.310 nan 0.000 0.499 306 G N 0.914 109.732 108.800 0.030 0.000 2.179 306 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.260 306 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.260 306 G C -0.407 174.599 174.900 0.176 0.000 0.977 306 G CA 0.207 45.366 45.100 0.099 0.000 0.641 306 G HN 0.570 nan 8.290 nan 0.000 0.533 307 D N 0.650 121.110 120.400 0.101 0.000 2.345 307 D HA 0.485 5.124 4.640 -0.001 0.000 0.247 307 D C 1.002 177.288 176.300 -0.024 0.000 1.108 307 D CA 0.100 54.075 54.000 -0.042 0.000 0.894 307 D CB 0.573 41.297 40.800 -0.127 0.000 1.203 307 D HN 0.389 nan 8.370 nan 0.000 0.430 308 R N 1.604 121.968 120.500 -0.228 0.000 2.474 308 R HA 0.591 4.931 4.340 -0.001 0.000 0.295 308 R C -0.560 175.427 176.300 -0.522 0.000 0.980 308 R CA -0.566 55.419 56.100 -0.190 0.000 0.934 308 R CB 1.080 31.287 30.300 -0.155 0.000 1.101 308 R HN 0.307 nan 8.270 nan 0.000 0.469 309 F N -0.036 119.845 119.950 -0.114 0.000 2.620 309 F HA 0.320 4.846 4.527 -0.001 0.000 0.320 309 F C -0.150 175.524 175.800 -0.210 0.000 1.069 309 F CA -1.048 56.868 58.000 -0.140 0.000 0.953 309 F CB 1.947 40.882 39.000 -0.108 0.000 1.322 309 F HN 0.421 nan 8.300 nan 0.000 0.479 310 E N 1.825 122.047 120.200 0.036 0.000 2.212 310 E HA 0.653 5.003 4.350 -0.001 0.000 0.268 310 E C -1.511 175.156 176.600 0.112 0.000 0.902 310 E CA -0.840 55.577 56.400 0.028 0.000 0.779 310 E CB 2.426 32.130 29.700 0.006 0.000 1.172 310 E HN 0.210 nan 8.360 nan 0.000 0.409 311 I N 1.992 122.639 120.570 0.129 0.000 2.433 311 I HA 0.341 4.511 4.170 -0.001 0.000 0.292 311 I C -0.139 176.128 176.117 0.251 0.000 1.001 311 I CA -1.045 60.356 61.300 0.169 0.000 1.119 311 I CB 1.387 39.448 38.000 0.102 0.000 1.289 311 I HN 0.487 nan 8.210 nan 0.000 0.438 312 K N 4.389 124.928 120.400 0.233 0.000 2.206 312 K HA 0.840 5.159 4.320 -0.001 0.000 0.264 312 K C -0.921 175.783 176.600 0.173 0.000 0.967 312 K CA -0.331 56.099 56.287 0.239 0.000 0.844 312 K CB 2.290 34.887 32.500 0.163 0.000 1.099 312 K HN 0.840 nan 8.250 nan 0.000 0.441 313 A N 2.658 125.516 122.820 0.063 0.000 2.566 313 A HA 0.405 4.724 4.320 -0.001 0.000 0.292 313 A C -0.051 177.457 177.584 -0.127 0.000 1.112 313 A CA -0.569 51.363 52.037 -0.176 0.000 0.707 313 A CB 0.870 19.521 19.000 -0.582 0.000 1.302 313 A HN 0.646 nan 8.150 nan 0.000 0.409 314 D N -0.453 119.906 120.400 -0.068 0.000 2.149 314 D HA 0.084 4.724 4.640 -0.001 0.000 0.201 314 D C 0.331 176.557 176.300 -0.124 0.000 0.972 314 D CA 1.736 55.754 54.000 0.030 0.000 0.835 314 D CB 0.092 40.967 40.800 0.124 0.000 0.966 314 D HN 0.221 nan 8.370 nan 0.000 0.476 315 V N 0.526 120.209 119.914 -0.384 0.000 2.638 315 V HA 0.285 4.404 4.120 -0.001 0.000 0.306 315 V C -1.327 174.518 176.094 -0.416 0.000 1.052 315 V CA -0.916 61.159 62.300 -0.375 0.000 0.885 315 V CB 1.895 33.379 31.823 -0.567 0.000 0.999 315 V HN -0.074 nan 8.190 nan 0.000 0.424 316 Y N 2.830 123.121 120.300 -0.014 0.000 2.341 316 Y HA 0.728 5.277 4.550 -0.001 0.000 0.338 316 Y C -0.134 175.731 175.900 -0.060 0.000 0.965 316 Y CA -0.972 57.105 58.100 -0.038 0.000 1.108 316 Y CB 2.197 40.632 38.460 -0.042 0.000 1.180 316 Y HN 0.353 nan 8.280 nan 0.000 0.458 317 V N 5.428 125.307 119.914 -0.059 0.000 2.483 317 V HA 0.403 4.523 4.120 -0.001 0.000 0.297 317 V C -0.575 175.380 176.094 -0.232 0.000 1.027 317 V CA -0.906 61.241 62.300 -0.255 0.000 0.855 317 V CB 1.800 33.255 31.823 -0.613 0.000 0.995 317 V HN 0.597 nan 8.190 nan 0.000 0.424 318 L N 5.159 126.242 121.223 -0.233 0.000 2.276 318 L HA 0.536 4.875 4.340 -0.001 0.000 0.286 318 L C 0.351 177.111 176.870 -0.184 0.000 1.024 318 L CA -0.192 54.535 54.840 -0.187 0.000 0.826 318 L CB 1.672 43.600 42.059 -0.219 0.000 1.211 318 L HN 0.811 nan 8.230 nan 0.000 0.422 319 T N -1.642 112.838 114.554 -0.123 0.000 3.516 319 T HA 0.332 4.682 4.350 -0.001 0.000 0.245 319 T C 0.739 175.441 174.700 0.003 0.000 1.077 319 T CA -0.139 61.931 62.100 -0.050 0.000 1.222 319 T CB 0.983 69.821 68.868 -0.050 0.000 1.045 319 T HN 0.523 nan 8.240 nan 0.000 0.585 320 A N 0.837 123.667 122.820 0.016 0.000 2.278 320 A HA 0.743 5.062 4.320 -0.001 0.000 0.212 320 A C 1.399 179.055 177.584 0.120 0.000 1.213 320 A CA 0.108 52.177 52.037 0.054 0.000 0.840 320 A CB -0.809 18.218 19.000 0.046 0.000 0.866 320 A HN 1.665 nan 8.150 nan 0.000 0.489 321 G N -2.658 106.215 108.800 0.122 0.000 2.662 321 G HA2 0.265 4.224 3.960 -0.001 0.000 0.686 321 G HA3 0.265 4.224 3.960 -0.001 0.000 0.686 321 G C 0.720 175.729 174.900 0.182 0.000 1.271 321 G CA -0.311 44.877 45.100 0.147 0.000 0.816 321 G HN 1.265 nan 8.290 nan 0.000 0.608 322 A N -0.352 122.567 122.820 0.164 0.000 1.972 322 A HA 0.231 4.550 4.320 -0.001 0.000 0.219 322 A C 2.620 180.302 177.584 0.164 0.000 1.169 322 A CA 3.110 55.242 52.037 0.158 0.000 0.635 322 A CB -0.295 18.763 19.000 0.097 0.000 0.810 322 A HN 1.570 nan 8.150 nan 0.000 0.446 323 V N -1.102 118.870 119.914 0.097 0.000 2.379 323 V HA -0.172 3.947 4.120 -0.001 0.000 0.243 323 V C 2.193 178.268 176.094 -0.032 0.000 1.035 323 V CA 2.100 64.409 62.300 0.015 0.000 1.035 323 V CB -0.933 30.799 31.823 -0.151 0.000 0.673 323 V HN 0.726 nan 8.190 nan 0.000 0.457 324 H N -0.315 118.829 119.070 0.123 0.000 2.512 324 H HA 0.013 4.568 4.556 -0.001 0.000 0.279 324 H C 2.234 177.557 175.328 -0.009 0.000 0.999 324 H CA 0.854 56.928 56.048 0.044 0.000 1.283 324 H CB 0.115 29.883 29.762 0.011 0.000 1.421 324 H HN 0.305 nan 8.280 nan 0.000 0.554 325 N N -0.199 118.569 118.700 0.115 0.000 2.120 325 N HA -0.116 4.624 4.740 -0.001 0.000 0.188 325 N C 1.711 177.193 175.510 -0.047 0.000 1.024 325 N CA 1.683 54.728 53.050 -0.009 0.000 0.852 325 N CB -0.407 38.043 38.487 -0.062 0.000 1.003 325 N HN 0.312 nan 8.380 nan 0.000 0.424 326 T N 0.836 115.436 114.554 0.077 0.000 2.746 326 T HA -0.160 4.189 4.350 -0.001 0.000 0.267 326 T C 1.844 176.402 174.700 -0.237 0.000 1.039 326 T CA 1.068 63.214 62.100 0.076 0.000 1.142 326 T CB -0.175 68.883 68.868 0.317 0.000 0.866 326 T HN 0.357 nan 8.240 nan 0.000 0.444 327 Q N 0.385 119.949 119.800 -0.394 0.000 2.084 327 Q HA -0.060 4.279 4.340 -0.001 0.000 0.202 327 Q C 2.336 178.067 176.000 -0.447 0.000 0.978 327 Q CA 1.155 56.416 55.803 -0.903 0.000 0.844 327 Q CB -0.289 28.191 28.738 -0.429 0.000 0.898 327 Q HN 0.495 nan 8.270 nan 0.000 0.426 328 L N 0.291 121.385 121.223 -0.216 0.000 2.046 328 L HA -0.189 4.150 4.340 -0.001 0.000 0.208 328 L C 2.268 179.047 176.870 -0.152 0.000 1.077 328 L CA 0.898 55.645 54.840 -0.154 0.000 0.747 328 L CB -0.135 41.854 42.059 -0.116 0.000 0.896 328 L HN 0.338 nan 8.230 nan 0.000 0.432 329 L N -1.366 119.749 121.223 -0.180 0.000 2.017 329 L HA -0.238 4.101 4.340 -0.001 0.000 0.208 329 L C 2.454 179.343 176.870 0.031 0.000 1.073 329 L CA 1.105 55.868 54.840 -0.128 0.000 0.745 329 L CB -0.546 41.342 42.059 -0.285 0.000 0.894 329 L HN 0.098 nan 8.230 nan 0.000 0.432 330 V N -0.035 119.822 119.914 -0.094 0.000 2.343 330 V HA -0.282 3.837 4.120 -0.001 0.000 0.247 330 V C 2.106 178.167 176.094 -0.056 0.000 1.051 330 V CA 2.048 64.318 62.300 -0.051 0.000 1.036 330 V CB -0.721 31.019 31.823 -0.138 0.000 0.654 330 V HN 0.499 nan 8.190 nan 0.000 0.451 331 N N 0.018 118.641 118.700 -0.128 0.000 2.453 331 N HA -0.102 4.637 4.740 -0.001 0.000 0.183 331 N C 1.540 177.019 175.510 -0.052 0.000 1.041 331 N CA 1.165 54.165 53.050 -0.083 0.000 0.900 331 N CB -0.045 38.383 38.487 -0.099 0.000 0.961 331 N HN 0.404 nan 8.380 nan 0.000 0.443 332 S N -1.551 114.137 115.700 -0.020 0.000 2.556 332 S HA 0.320 4.789 4.470 -0.001 0.000 0.216 332 S C 1.086 175.644 174.600 -0.070 0.000 0.970 332 S CA 0.270 58.459 58.200 -0.019 0.000 0.912 332 S CB 0.560 63.794 63.200 0.056 0.000 0.790 332 S HN 0.545 nan 8.310 nan 0.000 0.504 333 G N 1.040 109.809 108.800 -0.051 0.000 2.159 333 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.227 333 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.227 333 G C -0.071 174.718 174.900 -0.185 0.000 0.986 333 G CA -0.596 44.430 45.100 -0.123 0.000 0.651 333 G HN 0.409 nan 8.290 nan 0.000 0.523 334 F N 0.920 120.836 119.950 -0.057 0.000 2.382 334 F HA 0.533 5.060 4.527 -0.001 0.000 0.331 334 F C 1.670 177.476 175.800 0.010 0.000 1.121 334 F CA 1.034 59.015 58.000 -0.031 0.000 1.183 334 F CB 0.911 39.862 39.000 -0.083 0.000 1.207 334 F HN 0.732 nan 8.300 nan 0.000 0.555 335 G N 1.828 110.771 108.800 0.239 0.000 2.582 335 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.288 335 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.288 335 G C -0.703 174.271 174.900 0.123 0.000 1.247 335 G CA 0.082 45.288 45.100 0.176 0.000 0.972 335 G HN 0.812 nan 8.290 nan 0.000 0.557 336 Q N -1.134 118.746 119.800 0.133 0.000 2.323 336 Q HA 0.632 4.971 4.340 -0.001 0.000 0.271 336 Q C -0.887 175.199 176.000 0.143 0.000 1.048 336 Q CA -1.009 54.853 55.803 0.099 0.000 0.792 336 Q CB 1.744 30.518 28.738 0.060 0.000 1.280 336 Q HN 0.766 nan 8.270 nan 0.000 0.441 337 L N 3.407 124.702 121.223 0.120 0.000 2.371 337 L HA 0.725 5.064 4.340 -0.001 0.000 0.272 337 L C 0.329 177.280 176.870 0.136 0.000 1.124 337 L CA 1.851 56.788 54.840 0.162 0.000 0.816 337 L CB 0.975 43.103 42.059 0.116 0.000 1.129 337 L HN 0.830 nan 8.230 nan 0.000 0.448 338 G N 3.576 112.510 108.800 0.224 0.000 2.757 338 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.638 338 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.638 338 G C -0.480 174.296 174.900 -0.208 0.000 1.344 338 G CA -0.297 44.886 45.100 0.137 0.000 0.855 338 G HN 0.904 nan 8.290 nan 0.000 0.537 339 R N 0.707 120.835 120.500 -0.620 0.000 2.504 339 R HA 0.287 4.626 4.340 -0.001 0.000 0.291 339 R C -1.840 174.029 176.300 -0.719 0.000 0.974 339 R CA -0.293 55.052 56.100 -1.259 0.000 1.077 339 R CB -0.070 29.792 30.300 -0.729 0.000 0.926 339 R HN 0.359 nan 8.270 nan 0.000 0.407 340 P HA -0.035 nan 4.420 nan 0.000 0.265 340 P C -1.261 175.885 177.300 -0.257 0.000 1.193 340 P CA 0.311 63.182 63.100 -0.382 0.000 0.765 340 P CB 0.438 31.934 31.700 -0.340 0.000 0.823 341 N N 3.207 121.813 118.700 -0.156 0.000 2.577 341 N HA 0.228 4.967 4.740 -0.001 0.000 0.275 341 N C -1.995 173.473 175.510 -0.070 0.000 1.091 341 N CA -1.921 51.063 53.050 -0.110 0.000 0.843 341 N CB 1.243 39.674 38.487 -0.093 0.000 1.295 341 N HN 0.102 nan 8.380 nan 0.000 0.530 342 P HA -0.051 nan 4.420 nan 0.000 0.222 342 P C 0.813 178.097 177.300 -0.026 0.000 1.147 342 P CA 0.653 63.730 63.100 -0.038 0.000 0.790 342 P CB 0.263 31.940 31.700 -0.038 0.000 0.780 343 A N -1.310 121.491 122.820 -0.031 0.000 2.168 343 A HA -0.047 4.272 4.320 -0.001 0.000 0.215 343 A C 1.427 178.999 177.584 -0.019 0.000 1.152 343 A CA 0.888 52.911 52.037 -0.023 0.000 0.716 343 A CB -0.648 18.337 19.000 -0.025 0.000 0.794 343 A HN 0.103 nan 8.150 nan 0.000 0.465 344 N N 0.325 119.011 118.700 -0.023 0.000 2.723 344 N HA 0.248 4.987 4.740 -0.001 0.000 0.290 344 N C -3.210 172.294 175.510 -0.010 0.000 1.882 344 N CA -1.170 51.870 53.050 -0.017 0.000 0.851 344 N CB 0.724 39.198 38.487 -0.022 0.000 1.234 344 N HN 0.042 nan 8.380 nan 0.000 0.491 345 P HA 0.117 nan 4.420 nan 0.000 0.266 345 P C -2.337 174.973 177.300 0.017 0.000 1.195 345 P CA -0.487 62.619 63.100 0.011 0.000 0.768 345 P CB 0.110 31.819 31.700 0.016 0.000 0.838 346 P HA 0.077 nan 4.420 nan 0.000 0.274 346 P C 0.629 177.952 177.300 0.039 0.000 1.237 346 P CA -0.097 63.026 63.100 0.038 0.000 0.793 346 P CB 1.034 32.772 31.700 0.064 0.000 0.977 347 E N 0.616 120.833 120.200 0.027 0.000 2.106 347 E HA -0.044 4.306 4.350 -0.001 0.000 0.192 347 E C 0.021 176.653 176.600 0.053 0.000 0.984 347 E CA 0.741 57.156 56.400 0.024 0.000 0.806 347 E CB 0.053 29.753 29.700 -0.000 0.000 0.750 347 E HN 0.397 nan 8.360 nan 0.000 0.458 348 L N 1.066 122.332 121.223 0.072 0.000 2.365 348 L HA 0.306 4.645 4.340 -0.001 0.000 0.273 348 L C -0.117 176.884 176.870 0.217 0.000 1.000 348 L CA -0.847 54.082 54.840 0.149 0.000 0.819 348 L CB 1.928 44.048 42.059 0.101 0.000 1.284 348 L HN 0.104 nan 8.230 nan 0.000 0.418 349 L N 3.362 124.736 121.223 0.252 0.000 3.823 349 L HA -0.177 4.162 4.340 -0.001 0.000 0.525 349 L C -1.429 175.556 176.870 0.191 0.000 1.247 349 L CA -0.469 54.516 54.840 0.242 0.000 0.776 349 L CB -0.861 41.370 42.059 0.286 0.000 1.443 349 L HN 0.603 nan 8.230 nan 0.000 0.831 350 P HA -0.116 nan 4.420 nan 0.000 0.222 350 P C 1.194 178.593 177.300 0.164 0.000 1.147 350 P CA 1.094 64.272 63.100 0.131 0.000 0.790 350 P CB 0.312 32.071 31.700 0.098 0.000 0.780 351 S N -0.562 115.257 115.700 0.197 0.000 2.593 351 S HA 0.070 4.539 4.470 -0.001 0.000 0.217 351 S C 0.840 175.600 174.600 0.268 0.000 0.966 351 S CA -0.412 57.952 58.200 0.274 0.000 0.914 351 S CB -0.694 62.672 63.200 0.277 0.000 0.776 351 S HN 0.073 nan 8.310 nan 0.000 0.523 352 L N 2.423 123.781 121.223 0.225 0.000 2.499 352 L HA 0.423 4.762 4.340 -0.001 0.000 0.273 352 L C 1.169 178.181 176.870 0.236 0.000 1.195 352 L CA 1.131 56.106 54.840 0.225 0.000 0.882 352 L CB -0.295 41.883 42.059 0.198 0.000 1.133 352 L HN 0.344 nan 8.230 nan 0.000 0.483 353 G N 2.403 111.352 108.800 0.250 0.000 2.168 353 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.263 353 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.263 353 G C 0.432 175.455 174.900 0.205 0.000 0.977 353 G CA 0.401 45.647 45.100 0.243 0.000 0.659 353 G HN 0.824 nan 8.290 nan 0.000 0.533 354 S N -1.758 114.067 115.700 0.208 0.000 2.704 354 S HA 0.661 5.130 4.470 -0.001 0.000 0.305 354 S C 0.383 175.117 174.600 0.223 0.000 1.107 354 S CA 0.086 58.347 58.200 0.102 0.000 0.993 354 S CB 0.913 64.087 63.200 -0.044 0.000 1.110 354 S HN 0.915 nan 8.310 nan 0.000 0.534 355 Y N -0.955 119.413 120.300 0.113 0.000 4.272 355 Y HA -0.203 4.347 4.550 -0.001 0.000 0.232 355 Y C 0.502 176.483 175.900 0.134 0.000 1.149 355 Y CA 0.234 58.398 58.100 0.106 0.000 1.961 355 Y CB -2.172 36.347 38.460 0.098 0.000 1.611 355 Y HN 0.608 nan 8.280 nan 0.000 0.682 356 I N 0.107 120.823 120.570 0.243 0.000 2.692 356 I HA 0.438 4.607 4.170 -0.001 0.000 0.284 356 I C 0.681 176.970 176.117 0.287 0.000 1.159 356 I CA 0.488 61.940 61.300 0.253 0.000 1.423 356 I CB 1.184 39.336 38.000 0.252 0.000 1.380 356 I HN 0.201 nan 8.210 nan 0.000 0.580 357 T N 1.975 116.661 114.554 0.220 0.000 2.887 357 T HA 0.699 5.048 4.350 -0.001 0.000 0.288 357 T C -0.638 174.102 174.700 0.067 0.000 1.021 357 T CA -0.698 61.518 62.100 0.194 0.000 1.000 357 T CB 2.092 71.012 68.868 0.088 0.000 1.034 357 T HN 0.832 nan 8.240 nan 0.000 0.467 358 E N 1.034 121.264 120.200 0.049 0.000 2.356 358 E HA 0.351 4.700 4.350 -0.001 0.000 0.275 358 E C -1.134 175.592 176.600 0.210 0.000 0.904 358 E CA -0.581 55.805 56.400 -0.024 0.000 0.757 358 E CB 2.013 31.493 29.700 -0.366 0.000 1.232 358 E HN 0.712 nan 8.360 nan 0.000 0.442 359 Q N 1.113 121.045 119.800 0.220 0.000 2.340 359 Q HA 0.452 4.791 4.340 -0.001 0.000 0.249 359 Q C -0.413 175.802 176.000 0.358 0.000 0.957 359 Q CA -0.411 55.573 55.803 0.302 0.000 0.882 359 Q CB 1.247 30.204 28.738 0.366 0.000 1.235 359 Q HN 0.466 nan 8.270 nan 0.000 0.439 360 S N 1.482 117.322 115.700 0.233 0.000 2.576 360 S HA 0.366 4.835 4.470 -0.001 0.000 0.276 360 S C -0.676 173.982 174.600 0.096 0.000 1.339 360 S CA -0.514 57.693 58.200 0.011 0.000 1.039 360 S CB 0.436 63.547 63.200 -0.149 0.000 0.902 360 S HN 0.391 nan 8.310 nan 0.000 0.516 361 L N 4.086 125.332 121.223 0.038 0.000 2.438 361 L HA 0.716 5.055 4.340 -0.001 0.000 0.270 361 L C -0.802 175.927 176.870 -0.235 0.000 0.972 361 L CA -0.669 54.087 54.840 -0.141 0.000 0.831 361 L CB 1.644 43.600 42.059 -0.171 0.000 1.273 361 L HN 0.488 nan 8.230 nan 0.000 0.405 362 V N 1.915 121.603 119.914 -0.377 0.000 2.769 362 V HA 0.768 4.887 4.120 -0.001 0.000 0.312 362 V C -0.950 174.999 176.094 -0.242 0.000 1.058 362 V CA -0.699 61.304 62.300 -0.495 0.000 0.952 362 V CB 1.695 33.042 31.823 -0.793 0.000 1.019 362 V HN 0.843 nan 8.190 nan 0.000 0.445 363 F N 3.951 123.682 119.950 -0.366 0.000 2.608 363 F HA 0.840 5.367 4.527 -0.001 0.000 0.309 363 F C -0.484 175.181 175.800 -0.226 0.000 1.103 363 F CA -0.235 57.628 58.000 -0.229 0.000 0.954 363 F CB 1.426 40.335 39.000 -0.151 0.000 1.267 363 F HN 1.209 nan 8.300 nan 0.000 0.444 364 C N 2.913 121.558 119.300 -1.093 0.000 3.321 364 C HA 0.789 5.248 4.460 -0.001 0.000 0.329 364 C C -1.649 172.761 174.990 -0.967 0.000 1.394 364 C CA -0.676 57.689 59.018 -1.088 0.000 1.291 364 C CB 1.685 29.052 27.740 -0.622 0.000 1.606 364 C HN 0.985 nan 8.230 nan 0.000 0.463 365 Q N 0.619 120.078 119.800 -0.569 0.000 2.348 365 Q HA 0.781 5.121 4.340 -0.001 0.000 0.271 365 Q C -0.409 175.609 176.000 0.029 0.000 1.067 365 Q CA -0.233 55.476 55.803 -0.157 0.000 0.839 365 Q CB 2.643 31.279 28.738 -0.170 0.000 1.354 365 Q HN 0.938 nan 8.270 nan 0.000 0.447 366 T N -2.589 112.059 114.554 0.158 0.000 2.916 366 T HA 0.693 5.042 4.350 -0.001 0.000 0.292 366 T C -0.594 174.154 174.700 0.079 0.000 1.055 366 T CA -0.727 61.434 62.100 0.101 0.000 1.009 366 T CB 1.255 70.188 68.868 0.108 0.000 1.118 366 T HN 0.259 nan 8.240 nan 0.000 0.497 367 V N 2.609 122.539 119.914 0.026 0.000 2.384 367 V HA 0.421 4.540 4.120 -0.001 0.000 0.287 367 V C 0.293 176.391 176.094 0.006 0.000 1.020 367 V CA -0.913 61.395 62.300 0.013 0.000 0.850 367 V CB 1.255 33.078 31.823 -0.001 0.000 0.987 367 V HN 1.025 nan 8.190 nan 0.000 0.436 368 M N 4.652 124.261 119.600 0.016 0.000 2.250 368 M HA 0.119 4.598 4.480 -0.001 0.000 0.337 368 M C 0.849 177.148 176.300 -0.000 0.000 1.161 368 M CA 0.687 55.998 55.300 0.019 0.000 1.088 368 M CB 0.704 33.314 32.600 0.017 0.000 1.639 368 M HN 0.920 nan 8.290 nan 0.000 0.447 369 S N 2.503 118.200 115.700 -0.004 0.000 2.568 369 S HA 0.073 4.542 4.470 -0.001 0.000 0.282 369 S C 0.984 175.582 174.600 -0.004 0.000 1.338 369 S CA -0.128 58.062 58.200 -0.016 0.000 1.045 369 S CB 0.591 63.776 63.200 -0.025 0.000 0.873 369 S HN 0.815 nan 8.310 nan 0.000 0.516 370 T N 2.215 116.764 114.554 -0.009 0.000 2.699 370 T HA -0.161 4.188 4.350 -0.001 0.000 0.268 370 T C 1.642 176.347 174.700 0.008 0.000 1.036 370 T CA 1.972 64.072 62.100 -0.000 0.000 1.147 370 T CB -0.532 68.333 68.868 -0.005 0.000 0.862 370 T HN 0.787 nan 8.240 nan 0.000 0.446 371 E N 0.445 120.646 120.200 0.002 0.000 2.070 371 E HA -0.126 4.223 4.350 -0.001 0.000 0.197 371 E C 2.263 178.879 176.600 0.026 0.000 1.004 371 E CA 1.091 57.496 56.400 0.008 0.000 0.805 371 E CB -0.292 29.406 29.700 -0.004 0.000 0.744 371 E HN 0.435 nan 8.360 nan 0.000 0.451 372 L N 0.670 121.910 121.223 0.029 0.000 2.056 372 L HA -0.199 4.141 4.340 -0.001 0.000 0.207 372 L C 2.452 179.363 176.870 0.068 0.000 1.078 372 L CA 0.481 55.354 54.840 0.055 0.000 0.749 372 L CB -0.282 41.809 42.059 0.053 0.000 0.901 372 L HN 0.214 nan 8.230 nan 0.000 0.433 373 I N -0.045 120.550 120.570 0.042 0.000 2.179 373 I HA -0.282 3.887 4.170 -0.001 0.000 0.242 373 I C 2.164 178.313 176.117 0.054 0.000 1.088 373 I CA 1.532 62.854 61.300 0.036 0.000 1.357 373 I CB -1.077 36.934 38.000 0.017 0.000 1.051 373 I HN 0.284 nan 8.210 nan 0.000 0.409 374 D N 0.660 121.089 120.400 0.049 0.000 2.144 374 D HA -0.141 4.499 4.640 -0.001 0.000 0.199 374 D C 2.355 178.703 176.300 0.081 0.000 0.984 374 D CA 1.648 55.681 54.000 0.055 0.000 0.834 374 D CB -0.096 40.727 40.800 0.038 0.000 0.955 374 D HN 0.368 nan 8.370 nan 0.000 0.465 375 S N -0.030 115.727 115.700 0.096 0.000 2.419 375 S HA -0.116 4.353 4.470 -0.001 0.000 0.233 375 S C 2.163 176.917 174.600 0.256 0.000 1.016 375 S CA 0.739 59.028 58.200 0.147 0.000 0.974 375 S CB -0.498 62.781 63.200 0.131 0.000 0.786 375 S HN 0.079 nan 8.310 nan 0.000 0.492 376 V N 2.957 123.003 119.914 0.221 0.000 2.392 376 V HA -0.174 3.946 4.120 -0.001 0.000 0.249 376 V C 2.217 178.463 176.094 0.255 0.000 1.059 376 V CA 2.177 64.644 62.300 0.280 0.000 1.051 376 V CB -0.794 31.098 31.823 0.114 0.000 0.658 376 V HN 0.824 nan 8.190 nan 0.000 0.455 377 K N 0.358 120.857 120.400 0.165 0.000 2.493 377 K HA 0.170 4.489 4.320 -0.001 0.000 0.207 377 K C 1.564 178.228 176.600 0.106 0.000 1.033 377 K CA 0.674 57.038 56.287 0.128 0.000 1.161 377 K CB 0.124 32.681 32.500 0.096 0.000 0.873 377 K HN 0.427 nan 8.250 nan 0.000 0.491 378 S N 0.739 116.514 115.700 0.126 0.000 2.440 378 S HA -0.156 4.313 4.470 -0.001 0.000 0.238 378 S C 0.924 175.533 174.600 0.016 0.000 1.010 378 S CA 1.184 59.416 58.200 0.054 0.000 0.972 378 S CB -0.216 62.991 63.200 0.012 0.000 0.774 378 S HN 0.313 nan 8.310 nan 0.000 0.501 379 D N 0.520 120.938 120.400 0.030 0.000 2.349 379 D HA 0.257 4.897 4.640 -0.001 0.000 0.214 379 D C 0.134 176.468 176.300 0.056 0.000 1.063 379 D CA 0.185 54.189 54.000 0.006 0.000 0.847 379 D CB 0.033 40.813 40.800 -0.034 0.000 0.933 379 D HN 0.357 nan 8.370 nan 0.000 0.513 380 M N 0.353 119.988 119.600 0.058 0.000 2.274 380 M HA 0.223 4.702 4.480 -0.001 0.000 0.344 380 M C 0.319 176.646 176.300 0.046 0.000 1.161 380 M CA 0.093 55.437 55.300 0.073 0.000 1.126 380 M CB 1.144 33.782 32.600 0.063 0.000 1.522 380 M HN -0.337 nan 8.290 nan 0.000 0.461 381 T N 3.941 118.516 114.554 0.035 0.000 2.770 381 T HA 0.678 5.028 4.350 -0.001 0.000 0.283 381 T C -0.207 174.469 174.700 -0.040 0.000 0.988 381 T CA -0.332 61.768 62.100 -0.001 0.000 0.957 381 T CB 0.514 69.378 68.868 -0.005 0.000 0.930 381 T HN 0.418 nan 8.240 nan 0.000 0.443 382 I N 4.058 124.602 120.570 -0.043 0.000 2.382 382 I HA 0.486 4.655 4.170 -0.001 0.000 0.286 382 I C 0.234 176.313 176.117 -0.063 0.000 1.002 382 I CA -0.641 60.604 61.300 -0.091 0.000 1.135 382 I CB 1.320 39.309 38.000 -0.018 0.000 1.288 382 I HN 0.315 nan 8.210 nan 0.000 0.448 383 R N 3.792 124.222 120.500 -0.117 0.000 2.807 383 R HA 0.831 5.170 4.340 -0.001 0.000 0.276 383 R C -0.047 176.254 176.300 0.002 0.000 0.979 383 R CA -0.719 55.356 56.100 -0.041 0.000 0.928 383 R CB 2.171 32.444 30.300 -0.044 0.000 1.191 383 R HN 0.825 nan 8.270 nan 0.000 0.471 384 G N 0.541 109.389 108.800 0.080 0.000 2.698 384 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.225 384 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.225 384 G C -0.888 174.167 174.900 0.259 0.000 1.345 384 G CA -0.446 44.743 45.100 0.149 0.000 0.871 384 G HN 0.670 nan 8.290 nan 0.000 0.540 385 T N -0.298 114.394 114.554 0.230 0.000 2.848 385 T HA 0.680 5.030 4.350 -0.001 0.000 0.285 385 T C -2.833 171.824 174.700 -0.073 0.000 0.995 385 T CA -1.409 60.755 62.100 0.108 0.000 0.970 385 T CB 2.360 71.250 68.868 0.037 0.000 0.976 385 T HN 0.531 nan 8.240 nan 0.000 0.441 386 P HA 0.240 nan 4.420 nan 0.000 0.264 386 P C 1.261 178.363 177.300 -0.331 0.000 1.179 386 P CA 1.300 63.898 63.100 -0.836 0.000 0.763 386 P CB 0.159 31.445 31.700 -0.690 0.000 0.806 387 G N 1.143 109.796 108.800 -0.246 0.000 2.234 387 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.235 387 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.235 387 G C -0.024 174.853 174.900 -0.040 0.000 0.997 387 G CA -0.292 44.745 45.100 -0.105 0.000 0.623 387 G HN 0.560 nan 8.290 nan 0.000 0.514 388 E N 1.154 121.344 120.200 -0.016 0.000 2.202 388 E HA 0.459 4.809 4.350 -0.001 0.000 0.272 388 E C 1.725 178.364 176.600 0.066 0.000 0.951 388 E CA -0.638 55.778 56.400 0.026 0.000 0.813 388 E CB 1.119 30.838 29.700 0.032 0.000 1.151 388 E HN 0.077 nan 8.360 nan 0.000 0.398 389 L N 0.860 122.111 121.223 0.047 0.000 2.171 389 L HA -0.266 4.073 4.340 -0.001 0.000 0.216 389 L C 2.067 178.974 176.870 0.061 0.000 1.084 389 L CA 2.420 57.288 54.840 0.047 0.000 0.771 389 L CB -2.893 39.184 42.059 0.029 0.000 0.890 389 L HN 0.588 nan 8.230 nan 0.000 0.437 390 T N -4.580 110.018 114.554 0.073 0.000 3.085 390 T HA -0.118 4.231 4.350 -0.001 0.000 0.263 390 T C 0.706 175.471 174.700 0.108 0.000 1.127 390 T CA -0.169 61.974 62.100 0.072 0.000 1.103 390 T CB -0.581 68.326 68.868 0.064 0.000 0.921 390 T HN 0.226 nan 8.240 nan 0.000 0.510 391 Y N 2.478 122.778 120.300 0.000 0.000 2.402 391 Y HA 0.476 5.025 4.550 -0.001 0.000 0.333 391 Y C 0.085 175.986 175.900 0.002 0.000 1.076 391 Y CA -0.959 57.142 58.100 0.001 0.000 1.299 391 Y CB 0.622 39.081 38.460 -0.001 0.000 1.197 391 Y HN 0.150 nan 8.280 nan 0.000 0.517 392 S N 5.282 120.711 115.700 -0.453 0.000 2.614 392 S HA 0.724 5.193 4.470 -0.001 0.000 0.288 392 S C -1.945 172.353 174.600 -0.503 0.000 1.137 392 S CA -0.656 57.330 58.200 -0.357 0.000 0.992 392 S CB 0.655 63.752 63.200 -0.172 0.000 1.026 392 S HN 0.449 nan 8.310 nan 0.000 0.486 393 V N 4.798 124.504 119.914 -0.347 0.000 2.444 393 V HA 0.736 4.856 4.120 -0.001 0.000 0.294 393 V C 0.057 176.121 176.094 -0.050 0.000 1.022 393 V CA -0.492 61.685 62.300 -0.205 0.000 0.850 393 V CB 1.356 33.093 31.823 -0.143 0.000 0.992 393 V HN 1.019 nan 8.190 nan 0.000 0.426 394 T N 1.703 116.255 114.554 -0.002 0.000 2.864 394 T HA 0.890 5.239 4.350 -0.001 0.000 0.299 394 T C -1.020 173.771 174.700 0.151 0.000 1.166 394 T CA -0.763 61.362 62.100 0.042 0.000 1.007 394 T CB 2.421 71.266 68.868 -0.039 0.000 1.219 394 T HN 0.889 nan 8.240 nan 0.000 0.506 395 Y N -1.903 118.386 120.300 -0.018 0.000 2.689 395 Y HA 0.778 5.327 4.550 -0.001 0.000 0.333 395 Y C -1.062 174.828 175.900 -0.016 0.000 1.190 395 Y CA -1.302 56.789 58.100 -0.015 0.000 1.063 395 Y CB 0.845 39.303 38.460 -0.003 0.000 1.294 395 Y HN 0.637 nan 8.280 nan 0.000 0.466 396 T N 3.945 118.477 114.554 -0.037 0.000 2.801 396 T HA 0.414 4.764 4.350 -0.001 0.000 0.306 396 T C -2.859 171.834 174.700 -0.011 0.000 1.020 396 T CA -1.368 60.656 62.100 -0.126 0.000 0.948 396 T CB 0.675 69.523 68.868 -0.033 0.000 0.962 396 T HN 0.331 nan 8.240 nan 0.000 0.465 397 P HA 0.244 nan 4.420 nan 0.000 0.264 397 P C 1.114 178.446 177.300 0.054 0.000 1.193 397 P CA 0.762 63.914 63.100 0.088 0.000 0.763 397 P CB 0.428 32.132 31.700 0.007 0.000 0.810 398 G N 2.053 110.899 108.800 0.077 0.000 2.199 398 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.254 398 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.254 398 G C 0.447 175.356 174.900 0.015 0.000 0.982 398 G CA -0.018 45.103 45.100 0.036 0.000 0.632 398 G HN 0.854 nan 8.290 nan 0.000 0.529 399 A N 0.846 123.677 122.820 0.018 0.000 2.520 399 A HA 0.619 4.939 4.320 -0.001 0.000 0.245 399 A C 1.807 179.379 177.584 -0.021 0.000 1.072 399 A CA 1.343 53.379 52.037 -0.003 0.000 0.761 399 A CB 0.281 19.282 19.000 0.002 0.000 1.004 399 A HN 1.754 nan 8.150 nan 0.000 0.499 400 S N 1.811 117.495 115.700 -0.026 0.000 2.419 400 S HA -0.185 4.285 4.470 -0.001 0.000 0.233 400 S C 1.488 176.054 174.600 -0.057 0.000 1.016 400 S CA 1.793 59.971 58.200 -0.038 0.000 0.974 400 S CB -0.969 62.213 63.200 -0.030 0.000 0.786 400 S HN 1.193 nan 8.310 nan 0.000 0.492 401 T N -0.807 113.714 114.554 -0.055 0.000 3.118 401 T HA 0.156 4.505 4.350 -0.001 0.000 0.260 401 T C 0.470 175.107 174.700 -0.105 0.000 1.139 401 T CA -0.257 61.800 62.100 -0.071 0.000 1.085 401 T CB -0.676 68.159 68.868 -0.055 0.000 0.934 401 T HN 0.219 nan 8.240 nan 0.000 0.518 402 N N 2.460 121.096 118.700 -0.107 0.000 2.454 402 N HA 0.122 4.861 4.740 -0.001 0.000 0.260 402 N C 1.029 176.371 175.510 -0.279 0.000 1.218 402 N CA -0.126 52.828 53.050 -0.161 0.000 0.904 402 N CB 0.884 39.301 38.487 -0.115 0.000 1.065 402 N HN 0.211 nan 8.380 nan 0.000 0.462 403 K N 1.336 121.467 120.400 -0.448 0.000 2.366 403 K HA 0.010 4.330 4.320 -0.001 0.000 0.198 403 K C 0.018 176.053 176.600 -0.941 0.000 1.044 403 K CA 0.875 56.748 56.287 -0.690 0.000 0.973 403 K CB 0.086 32.061 32.500 -0.875 0.000 0.767 403 K HN 0.570 nan 8.250 nan 0.000 0.475 404 H N 0.030 118.763 119.070 -0.562 0.000 2.731 404 H HA 0.349 4.904 4.556 -0.001 0.000 0.368 404 H C -2.337 172.638 175.328 -0.588 0.000 1.168 404 H CA -2.706 52.840 56.048 -0.838 0.000 1.181 404 H CB 1.197 30.023 29.762 -1.559 0.000 1.743 404 H HN -0.191 nan 8.280 nan 0.000 0.547 405 P HA -0.001 nan 4.420 nan 0.000 0.271 405 P C 0.478 177.534 177.300 -0.406 0.000 1.233 405 P CA -0.188 62.664 63.100 -0.413 0.000 0.789 405 P CB 1.018 32.376 31.700 -0.570 0.000 0.951 406 D N 0.068 120.373 120.400 -0.158 0.000 2.144 406 D HA -0.140 4.499 4.640 -0.001 0.000 0.199 406 D C 1.872 178.169 176.300 -0.006 0.000 0.984 406 D CA 1.205 55.203 54.000 -0.004 0.000 0.834 406 D CB -0.533 40.365 40.800 0.164 0.000 0.955 406 D HN 0.603 nan 8.370 nan 0.000 0.465 407 W N 0.263 121.639 121.300 0.126 0.000 2.342 407 W HA -0.157 4.503 4.660 -0.001 0.000 0.297 407 W C 1.924 178.525 176.519 0.136 0.000 1.213 407 W CA 0.275 57.690 57.345 0.117 0.000 1.251 407 W CB -1.342 28.179 29.460 0.102 0.000 1.136 407 W HN 0.082 nan 8.180 nan 0.000 0.526 408 W N 3.397 124.248 121.300 -0.748 0.000 2.441 408 W HA -0.103 4.556 4.660 -0.001 0.000 0.302 408 W C 1.882 178.153 176.519 -0.414 0.000 1.191 408 W CA 1.436 58.378 57.345 -0.672 0.000 1.327 408 W CB -1.068 27.721 29.460 -1.119 0.000 1.128 408 W HN -0.149 nan 8.180 nan 0.000 0.522 409 N N 1.164 119.805 118.700 -0.099 0.000 2.149 409 N HA -0.218 4.521 4.740 -0.001 0.000 0.188 409 N C 1.519 176.743 175.510 -0.476 0.000 1.019 409 N CA 2.057 54.841 53.050 -0.443 0.000 0.857 409 N CB -0.641 37.181 38.487 -1.109 0.000 0.997 409 N HN 0.289 nan 8.380 nan 0.000 0.426 410 E N 1.345 121.405 120.200 -0.234 0.000 2.072 410 E HA -0.080 4.269 4.350 -0.001 0.000 0.191 410 E C 1.591 178.242 176.600 0.085 0.000 0.985 410 E CA 1.300 57.748 56.400 0.079 0.000 0.801 410 E CB 0.074 29.903 29.700 0.215 0.000 0.750 410 E HN 0.262 nan 8.360 nan 0.000 0.452 411 K N -0.439 120.000 120.400 0.065 0.000 2.057 411 K HA -0.092 4.228 4.320 -0.001 0.000 0.207 411 K C 2.115 178.729 176.600 0.024 0.000 1.049 411 K CA 1.372 57.690 56.287 0.051 0.000 0.931 411 K CB -0.141 32.377 32.500 0.030 0.000 0.714 411 K HN 0.011 nan 8.250 nan 0.000 0.440 412 V N 2.096 121.994 119.914 -0.026 0.000 2.295 412 V HA -0.256 3.864 4.120 -0.001 0.000 0.246 412 V C 2.425 178.565 176.094 0.076 0.000 1.049 412 V CA 1.582 63.883 62.300 0.002 0.000 1.024 412 V CB -0.420 31.404 31.823 0.001 0.000 0.648 412 V HN 0.324 nan 8.190 nan 0.000 0.447 413 K N 0.445 120.883 120.400 0.064 0.000 2.032 413 K HA -0.227 4.092 4.320 -0.001 0.000 0.209 413 K C 1.958 178.626 176.600 0.113 0.000 1.048 413 K CA 1.985 58.342 56.287 0.116 0.000 0.927 413 K CB -0.415 32.220 32.500 0.225 0.000 0.712 413 K HN 0.430 nan 8.250 nan 0.000 0.441 414 N N 0.386 119.158 118.700 0.120 0.000 2.188 414 N HA -0.164 4.575 4.740 -0.001 0.000 0.184 414 N C 1.800 177.380 175.510 0.117 0.000 1.018 414 N CA 1.266 54.381 53.050 0.108 0.000 0.858 414 N CB -0.604 37.952 38.487 0.115 0.000 0.989 414 N HN 0.458 nan 8.380 nan 0.000 0.426 415 H N 0.597 119.703 119.070 0.059 0.000 2.321 415 H HA 0.090 4.645 4.556 -0.001 0.000 0.300 415 H C 2.048 177.433 175.328 0.096 0.000 1.087 415 H CA 1.764 57.856 56.048 0.073 0.000 1.319 415 H CB -0.106 29.602 29.762 -0.091 0.000 1.379 415 H HN 0.088 nan 8.280 nan 0.000 0.501 416 M N -1.051 118.543 119.600 -0.011 0.000 2.229 416 M HA -0.098 4.382 4.480 -0.001 0.000 0.264 416 M C 2.171 178.523 176.300 0.087 0.000 1.063 416 M CA 1.492 56.799 55.300 0.012 0.000 1.114 416 M CB -0.015 32.667 32.600 0.138 0.000 1.387 416 M HN 0.387 nan 8.290 nan 0.000 0.420 417 M N 0.145 119.782 119.600 0.063 0.000 2.287 417 M HA -0.099 4.380 4.480 -0.001 0.000 0.266 417 M C 1.802 178.098 176.300 -0.006 0.000 1.079 417 M CA 1.825 57.172 55.300 0.078 0.000 1.146 417 M CB 0.012 32.636 32.600 0.040 0.000 1.374 417 M HN 0.124 nan 8.290 nan 0.000 0.435 418 Q N -1.177 118.552 119.800 -0.117 0.000 2.354 418 Q HA 0.018 4.357 4.340 -0.001 0.000 0.203 418 Q C -0.085 175.586 176.000 -0.548 0.000 0.933 418 Q CA 0.662 56.276 55.803 -0.315 0.000 0.901 418 Q CB 0.288 28.794 28.738 -0.386 0.000 1.007 418 Q HN 0.522 nan 8.270 nan 0.000 0.495 419 H N 0.293 119.286 119.070 -0.129 0.000 2.336 419 H HA 0.201 4.757 4.556 -0.001 0.000 0.230 419 H C 0.100 175.342 175.328 -0.145 0.000 1.426 419 H CA -0.097 55.874 56.048 -0.128 0.000 1.359 419 H CB 0.565 30.201 29.762 -0.211 0.000 1.555 419 H HN 0.253 nan 8.280 nan 0.000 0.512 420 Q N 0.715 120.494 119.800 -0.034 0.000 2.291 420 Q HA -0.119 4.220 4.340 -0.001 0.000 0.205 420 Q C 1.988 177.925 176.000 -0.105 0.000 0.970 420 Q CA 0.946 56.680 55.803 -0.116 0.000 0.876 420 Q CB 0.415 29.041 28.738 -0.186 0.000 0.935 420 Q HN 0.535 nan 8.270 nan 0.000 0.455 421 E N 1.241 121.431 120.200 -0.017 0.000 2.274 421 E HA -0.135 4.215 4.350 -0.001 0.000 0.194 421 E C -0.244 176.383 176.600 0.045 0.000 0.996 421 E CA 0.643 57.048 56.400 0.008 0.000 0.840 421 E CB -0.123 29.603 29.700 0.043 0.000 0.772 421 E HN 0.177 nan 8.360 nan 0.000 0.491 422 D N 2.373 122.821 120.400 0.079 0.000 2.312 422 D HA 0.074 4.714 4.640 -0.001 0.000 0.252 422 D C -1.479 174.865 176.300 0.074 0.000 1.150 422 D CA -1.799 52.273 54.000 0.121 0.000 0.870 422 D CB 1.423 42.332 40.800 0.181 0.000 1.153 422 D HN -0.104 nan 8.370 nan 0.000 0.457 423 P HA 0.079 nan 4.420 nan 0.000 0.249 423 P C -0.256 177.083 177.300 0.065 0.000 1.229 423 P CA 0.239 63.372 63.100 0.055 0.000 0.788 423 P CB 0.357 32.082 31.700 0.042 0.000 1.072 424 L N 1.411 122.686 121.223 0.086 0.000 2.330 424 L HA 0.395 4.734 4.340 -0.001 0.000 0.271 424 L C -1.448 175.463 176.870 0.069 0.000 1.013 424 L CA -2.309 52.559 54.840 0.046 0.000 0.816 424 L CB 2.432 44.485 42.059 -0.010 0.000 1.287 424 L HN -0.325 nan 8.230 nan 0.000 0.435 425 P HA 0.105 nan 4.420 nan 0.000 0.251 425 P C 0.197 177.379 177.300 -0.196 0.000 1.223 425 P CA 0.507 63.617 63.100 0.017 0.000 0.796 425 P CB 0.437 32.153 31.700 0.026 0.000 1.068 426 I N 2.020 122.379 120.570 -0.353 0.000 2.395 426 I HA 0.221 4.390 4.170 -0.001 0.000 0.289 426 I C -2.165 173.441 176.117 -0.851 0.000 1.023 426 I CA -2.744 58.274 61.300 -0.470 0.000 1.350 426 I CB 0.564 38.379 38.000 -0.308 0.000 1.409 426 I HN -0.259 nan 8.210 nan 0.000 0.507 427 P HA -0.014 nan 4.420 nan 0.000 0.266 427 P C 0.250 177.294 177.300 -0.427 0.000 1.195 427 P CA 0.085 62.805 63.100 -0.633 0.000 0.768 427 P CB 0.328 31.893 31.700 -0.225 0.000 0.838 428 F N 0.953 120.777 119.950 -0.210 0.000 2.161 428 F HA -0.134 4.392 4.527 -0.001 0.000 0.300 428 F C 1.759 177.512 175.800 -0.078 0.000 1.089 428 F CA 1.610 59.534 58.000 -0.128 0.000 1.282 428 F CB -0.865 38.075 39.000 -0.099 0.000 1.010 428 F HN 0.417 nan 8.300 nan 0.000 0.485 429 E N -0.397 119.878 120.200 0.124 0.000 2.444 429 E HA -0.012 4.338 4.350 -0.001 0.000 0.191 429 E C -0.190 176.427 176.600 0.028 0.000 1.041 429 E CA -0.234 56.214 56.400 0.080 0.000 0.883 429 E CB -0.194 29.557 29.700 0.085 0.000 1.024 429 E HN 0.187 nan 8.360 nan 0.000 0.470 430 D N 2.509 122.900 120.400 -0.015 0.000 2.487 430 D HA 0.008 4.647 4.640 -0.001 0.000 0.243 430 D C -2.304 174.007 176.300 0.017 0.000 1.154 430 D CA -1.383 52.596 54.000 -0.035 0.000 0.876 430 D CB 0.759 41.494 40.800 -0.109 0.000 1.161 430 D HN -0.129 nan 8.370 nan 0.000 0.478 431 P HA 0.059 nan 4.420 nan 0.000 0.270 431 P C -0.357 177.049 177.300 0.177 0.000 1.223 431 P CA -0.335 62.861 63.100 0.159 0.000 0.785 431 P CB 0.373 32.190 31.700 0.195 0.000 0.923 432 E N 2.370 122.688 120.200 0.198 0.000 2.392 432 E HA 0.184 4.534 4.350 -0.001 0.000 0.256 432 E C -2.465 174.162 176.600 0.044 0.000 1.145 432 E CA -1.868 54.575 56.400 0.072 0.000 0.929 432 E CB -0.809 28.894 29.700 0.005 0.000 0.998 432 E HN 0.215 nan 8.360 nan 0.000 0.442 433 P HA 0.087 nan 4.420 nan 0.000 0.272 433 P C -0.561 176.738 177.300 -0.001 0.000 1.223 433 P CA -0.038 63.124 63.100 0.104 0.000 0.784 433 P CB 0.431 32.141 31.700 0.016 0.000 0.923 434 Q N 0.855 120.760 119.800 0.174 0.000 3.662 434 Q HA 0.306 4.645 4.340 -0.001 0.000 0.237 434 Q C -1.141 174.953 176.000 0.156 0.000 0.895 434 Q CA -0.296 55.487 55.803 -0.034 0.000 0.767 434 Q CB 1.193 29.666 28.738 -0.443 0.000 1.469 434 Q HN 0.179 nan 8.270 nan 0.000 0.424 435 V N 0.705 120.665 119.914 0.077 0.000 2.581 435 V HA 0.733 4.852 4.120 -0.001 0.000 0.303 435 V C 0.148 176.261 176.094 0.030 0.000 1.041 435 V CA -0.371 61.972 62.300 0.070 0.000 0.907 435 V CB 2.046 33.843 31.823 -0.043 0.000 0.994 435 V HN 0.463 nan 8.190 nan 0.000 0.442 436 T N 1.901 116.509 114.554 0.089 0.000 2.900 436 T HA 0.487 4.836 4.350 -0.001 0.000 0.303 436 T C -0.907 173.757 174.700 -0.060 0.000 1.142 436 T CA -0.330 61.771 62.100 0.002 0.000 1.007 436 T CB 1.892 70.741 68.868 -0.031 0.000 1.156 436 T HN 0.798 nan 8.240 nan 0.000 0.490 437 T N 4.566 118.940 114.554 -0.300 0.000 2.772 437 T HA 0.604 4.953 4.350 -0.001 0.000 0.288 437 T C -0.072 174.495 174.700 -0.220 0.000 0.994 437 T CA -0.602 61.155 62.100 -0.572 0.000 0.951 437 T CB -0.217 67.855 68.868 -1.326 0.000 0.933 437 T HN 0.516 nan 8.240 nan 0.000 0.447 438 L N 4.297 125.464 121.223 -0.093 0.000 2.464 438 L HA 0.403 4.742 4.340 -0.001 0.000 0.264 438 L C 0.756 177.635 176.870 0.015 0.000 1.199 438 L CA -0.924 53.944 54.840 0.047 0.000 0.818 438 L CB 0.201 42.282 42.059 0.037 0.000 1.102 438 L HN 0.603 nan 8.230 nan 0.000 0.473 439 F N 2.416 122.293 119.950 -0.122 0.000 2.623 439 F HA -0.058 4.468 4.527 -0.001 0.000 0.386 439 F C 0.308 175.839 175.800 -0.449 0.000 1.068 439 F CA 0.672 58.501 58.000 -0.285 0.000 1.265 439 F CB 0.143 39.029 39.000 -0.190 0.000 1.026 439 F HN 0.388 nan 8.300 nan 0.000 0.568 440 Q N 6.475 125.747 119.800 -0.879 0.000 2.456 440 Q HA 0.251 4.590 4.340 -0.001 0.000 0.284 440 Q C -2.003 173.544 176.000 -0.754 0.000 1.061 440 Q CA -1.762 53.622 55.803 -0.697 0.000 0.799 440 Q CB 1.535 29.743 28.738 -0.883 0.000 1.445 440 Q HN 0.241 nan 8.270 nan 0.000 0.411 441 P HA -0.202 nan 4.420 nan 0.000 0.216 441 P C 1.145 178.225 177.300 -0.365 0.000 1.154 441 P CA 2.097 65.021 63.100 -0.293 0.000 0.865 441 P CB 0.215 31.833 31.700 -0.137 0.000 0.789 442 S N -1.654 113.840 115.700 -0.343 0.000 2.561 442 S HA -0.106 4.363 4.470 -0.001 0.000 0.225 442 S C 0.475 174.896 174.600 -0.298 0.000 0.977 442 S CA 0.267 58.339 58.200 -0.213 0.000 0.926 442 S CB -1.295 61.881 63.200 -0.040 0.000 0.769 442 S HN 0.451 nan 8.310 nan 0.000 0.533 443 H N -1.640 116.982 119.070 -0.747 0.000 2.643 443 H HA 0.437 4.992 4.556 -0.001 0.000 0.229 443 H C -3.274 170.865 175.328 -1.983 0.000 1.410 443 H CA -1.667 53.544 56.048 -1.395 0.000 1.458 443 H CB 0.260 29.504 29.762 -0.863 0.000 1.792 443 H HN 0.064 nan 8.280 nan 0.000 0.563 444 P HA 0.080 nan 4.420 nan 0.000 0.226 444 P C -1.225 175.321 177.300 -1.256 0.000 1.783 444 P CA 0.252 62.192 63.100 -1.934 0.000 0.980 444 P CB -1.076 30.076 31.700 -0.913 0.000 1.967 445 W N -0.327 120.573 121.300 -0.667 0.000 3.213 445 W HA 0.516 5.175 4.660 -0.001 0.000 0.318 445 W C -0.815 175.792 176.519 0.147 0.000 1.248 445 W CA -1.258 56.086 57.345 -0.002 0.000 1.187 445 W CB 0.078 29.567 29.460 0.048 0.000 1.403 445 W HN -0.006 nan 8.180 nan 0.000 0.556 446 H N 1.052 120.406 119.070 0.475 0.000 2.505 446 H HA 0.718 5.273 4.556 -0.001 0.000 0.351 446 H C -0.147 175.341 175.328 0.267 0.000 1.151 446 H CA 0.444 56.665 56.048 0.288 0.000 1.339 446 H CB 1.445 31.327 29.762 0.201 0.000 1.483 446 H HN 0.569 nan 8.280 nan 0.000 0.558 447 T N 2.001 116.205 114.554 -0.583 0.000 2.900 447 T HA 0.518 4.868 4.350 -0.001 0.000 0.295 447 T C -0.830 173.585 174.700 -0.474 0.000 1.044 447 T CA -1.138 60.665 62.100 -0.495 0.000 0.995 447 T CB 1.746 70.222 68.868 -0.653 0.000 1.072 447 T HN 0.662 nan 8.240 nan 0.000 0.473 448 Q N 1.495 121.217 119.800 -0.131 0.000 2.263 448 Q HA 0.503 4.842 4.340 -0.001 0.000 0.266 448 Q C -1.335 174.558 176.000 -0.179 0.000 1.002 448 Q CA -0.526 55.104 55.803 -0.288 0.000 0.790 448 Q CB 2.528 30.988 28.738 -0.462 0.000 1.272 448 Q HN 0.704 nan 8.270 nan 0.000 0.435 449 I N 3.936 124.366 120.570 -0.232 0.000 2.464 449 I HA 0.365 4.534 4.170 -0.001 0.000 0.277 449 I C -0.299 175.709 176.117 -0.183 0.000 1.040 449 I CA -0.216 60.838 61.300 -0.409 0.000 1.153 449 I CB 0.350 37.989 38.000 -0.602 0.000 1.274 449 I HN 0.753 nan 8.210 nan 0.000 0.469 450 H N 3.815 122.701 119.070 -0.308 0.000 3.150 450 H HA 0.648 5.204 4.556 -0.001 0.000 0.270 450 H C -1.154 174.088 175.328 -0.142 0.000 1.573 450 H CA -1.331 54.601 56.048 -0.192 0.000 1.195 450 H CB 1.348 31.020 29.762 -0.150 0.000 1.874 450 H HN 0.093 nan 8.280 nan 0.000 0.691 451 R N 1.177 121.458 120.500 -0.365 0.000 2.628 451 R HA 0.300 4.639 4.340 -0.001 0.000 0.288 451 R C -1.555 174.436 176.300 -0.514 0.000 0.980 451 R CA -0.578 55.288 56.100 -0.390 0.000 0.891 451 R CB 1.820 32.036 30.300 -0.139 0.000 1.188 451 R HN 0.923 nan 8.270 nan 0.000 0.450 452 D N 0.193 120.332 120.400 -0.434 0.000 2.566 452 D HA 0.468 5.107 4.640 -0.001 0.000 0.254 452 D C -0.603 175.671 176.300 -0.042 0.000 1.090 452 D CA -0.819 53.040 54.000 -0.234 0.000 1.034 452 D CB 0.660 41.335 40.800 -0.207 0.000 1.434 452 D HN 0.412 nan 8.370 nan 0.000 0.509 453 A N -0.177 122.647 122.820 0.008 0.000 2.584 453 A HA 0.370 4.690 4.320 -0.001 0.000 0.239 453 A C -0.757 176.897 177.584 0.117 0.000 1.043 453 A CA 0.295 52.388 52.037 0.094 0.000 0.756 453 A CB -0.801 18.295 19.000 0.161 0.000 0.963 453 A HN 0.483 nan 8.150 nan 0.000 0.511 454 F N 1.747 121.638 119.950 -0.097 0.000 2.608 454 F HA 0.481 5.008 4.527 -0.001 0.000 0.309 454 F C 0.176 175.791 175.800 -0.308 0.000 1.103 454 F CA -0.220 57.619 58.000 -0.268 0.000 0.954 454 F CB 2.061 40.798 39.000 -0.438 0.000 1.267 454 F HN 0.567 nan 8.300 nan 0.000 0.444 455 S N 4.047 119.204 115.700 -0.904 0.000 2.415 455 S HA 0.439 4.908 4.470 -0.001 0.000 0.313 455 S C -1.169 173.142 174.600 -0.483 0.000 1.067 455 S CA -0.466 57.425 58.200 -0.515 0.000 1.099 455 S CB -0.354 62.595 63.200 -0.418 0.000 0.991 455 S HN 0.462 nan 8.310 nan 0.000 0.491 456 Y N 2.332 122.672 120.300 0.066 0.000 2.377 456 Y HA 0.457 5.007 4.550 -0.001 0.000 0.330 456 Y C 1.577 177.525 175.900 0.080 0.000 1.108 456 Y CA 0.120 58.333 58.100 0.188 0.000 1.308 456 Y CB 0.308 38.900 38.460 0.220 0.000 1.216 456 Y HN 0.879 nan 8.280 nan 0.000 0.518 457 G N 1.306 110.241 108.800 0.225 0.000 2.647 457 G HA2 0.168 4.127 3.960 -0.001 0.000 0.234 457 G HA3 0.168 4.127 3.960 -0.001 0.000 0.234 457 G C 0.954 175.939 174.900 0.143 0.000 1.252 457 G CA 0.005 45.189 45.100 0.141 0.000 0.846 457 G HN 0.942 nan 8.290 nan 0.000 0.589 458 A N 0.940 123.813 122.820 0.089 0.000 1.940 458 A HA -0.053 4.267 4.320 -0.001 0.000 0.219 458 A C 2.535 180.161 177.584 0.070 0.000 1.176 458 A CA 2.061 54.141 52.037 0.071 0.000 0.631 458 A CB -0.439 18.589 19.000 0.047 0.000 0.814 458 A HN 0.652 nan 8.150 nan 0.000 0.446 459 V N -0.183 119.775 119.914 0.074 0.000 2.358 459 V HA -0.285 3.834 4.120 -0.001 0.000 0.246 459 V C 2.521 178.661 176.094 0.077 0.000 1.047 459 V CA 2.101 64.441 62.300 0.065 0.000 1.035 459 V CB -0.964 30.895 31.823 0.060 0.000 0.658 459 V HN 0.652 nan 8.190 nan 0.000 0.452 460 Q N -0.209 119.666 119.800 0.126 0.000 2.172 460 Q HA -0.165 4.174 4.340 -0.001 0.000 0.200 460 Q C 2.197 178.221 176.000 0.039 0.000 0.964 460 Q CA 1.003 56.892 55.803 0.142 0.000 0.855 460 Q CB -0.203 28.740 28.738 0.342 0.000 0.918 460 Q HN 0.692 nan 8.270 nan 0.000 0.444 461 Q N 0.091 119.930 119.800 0.064 0.000 2.508 461 Q HA -0.095 4.244 4.340 -0.001 0.000 0.214 461 Q C 1.846 177.833 176.000 -0.021 0.000 0.979 461 Q CA 0.714 56.513 55.803 -0.006 0.000 0.911 461 Q CB -0.099 28.669 28.738 0.050 0.000 0.969 461 Q HN 0.150 nan 8.270 nan 0.000 0.504 462 S N -0.066 115.633 115.700 -0.001 0.000 2.453 462 S HA -0.014 4.455 4.470 -0.001 0.000 0.231 462 S C 0.816 175.404 174.600 -0.020 0.000 1.005 462 S CA 0.181 58.380 58.200 -0.002 0.000 0.949 462 S CB 0.250 63.457 63.200 0.012 0.000 0.774 462 S HN 0.152 nan 8.310 nan 0.000 0.510 463 I N 2.628 123.171 120.570 -0.045 0.000 2.365 463 I HA 0.260 4.430 4.170 -0.001 0.000 0.291 463 I C 0.383 176.450 176.117 -0.083 0.000 1.004 463 I CA -0.915 60.352 61.300 -0.054 0.000 1.311 463 I CB 0.797 38.762 38.000 -0.058 0.000 1.401 463 I HN 0.144 nan 8.210 nan 0.000 0.491 464 D N 3.953 124.324 120.400 -0.048 0.000 2.493 464 D HA -0.054 4.585 4.640 -0.001 0.000 0.240 464 D C 1.189 177.447 176.300 -0.071 0.000 1.142 464 D CA 0.193 54.170 54.000 -0.039 0.000 0.872 464 D CB 1.190 41.991 40.800 0.001 0.000 1.173 464 D HN 0.653 nan 8.370 nan 0.000 0.467 465 S N 4.244 119.896 115.700 -0.080 0.000 2.419 465 S HA -0.167 4.302 4.470 -0.001 0.000 0.233 465 S C 1.683 176.252 174.600 -0.051 0.000 1.016 465 S CA 0.544 58.681 58.200 -0.104 0.000 0.974 465 S CB -0.026 63.128 63.200 -0.076 0.000 0.786 465 S HN 0.543 nan 8.310 nan 0.000 0.492 466 R N 0.843 121.327 120.500 -0.027 0.000 2.193 466 R HA 0.154 4.493 4.340 -0.001 0.000 0.229 466 R C 1.842 178.121 176.300 -0.036 0.000 1.110 466 R CA 1.142 57.222 56.100 -0.032 0.000 0.988 466 R CB -0.579 29.692 30.300 -0.048 0.000 0.871 466 R HN 0.457 nan 8.270 nan 0.000 0.458 467 L N 0.296 121.500 121.223 -0.032 0.000 2.418 467 L HA 0.089 4.428 4.340 -0.001 0.000 0.218 467 L C 0.805 177.671 176.870 -0.006 0.000 1.125 467 L CA 0.309 55.137 54.840 -0.020 0.000 0.835 467 L CB -0.001 42.047 42.059 -0.019 0.000 0.953 467 L HN 0.062 nan 8.230 nan 0.000 0.454 468 I N 0.132 120.691 120.570 -0.017 0.000 2.396 468 I HA 0.237 4.406 4.170 -0.001 0.000 0.292 468 I C -0.566 175.561 176.117 0.018 0.000 0.999 468 I CA -0.392 60.911 61.300 0.005 0.000 1.310 468 I CB 1.804 39.791 38.000 -0.022 0.000 1.404 468 I HN -0.293 nan 8.210 nan 0.000 0.496 469 V N 4.732 124.677 119.914 0.051 0.000 2.638 469 V HA 0.317 4.436 4.120 -0.001 0.000 0.306 469 V C -0.856 175.225 176.094 -0.023 0.000 1.052 469 V CA -0.850 61.443 62.300 -0.012 0.000 0.885 469 V CB 2.096 33.919 31.823 -0.001 0.000 0.999 469 V HN 0.588 nan 8.190 nan 0.000 0.424 470 D N 2.666 122.984 120.400 -0.136 0.000 2.210 470 D HA 0.465 5.104 4.640 -0.001 0.000 0.249 470 D C -0.982 175.207 176.300 -0.185 0.000 1.062 470 D CA 0.079 54.032 54.000 -0.078 0.000 0.891 470 D CB 1.354 42.143 40.800 -0.018 0.000 1.186 470 D HN 0.440 nan 8.370 nan 0.000 0.432 471 W N 1.368 122.628 121.300 -0.068 0.000 2.538 471 W HA 0.464 5.123 4.660 -0.001 0.000 0.322 471 W C 0.232 176.767 176.519 0.026 0.000 1.028 471 W CA -0.847 56.491 57.345 -0.012 0.000 1.228 471 W CB 1.296 30.620 29.460 -0.225 0.000 1.356 471 W HN -0.068 nan 8.180 nan 0.000 0.452 472 R N 2.950 123.656 120.500 0.344 0.000 2.483 472 R HA 0.497 4.836 4.340 -0.001 0.000 0.303 472 R C -1.562 174.924 176.300 0.310 0.000 0.987 472 R CA -0.809 55.397 56.100 0.178 0.000 0.881 472 R CB 1.556 31.928 30.300 0.120 0.000 1.177 472 R HN 0.172 nan 8.270 nan 0.000 0.451 473 F N 3.124 122.935 119.950 -0.231 0.000 2.482 473 F HA 0.504 5.031 4.527 -0.001 0.000 0.331 473 F C -0.353 175.355 175.800 -0.152 0.000 1.115 473 F CA -1.580 56.379 58.000 -0.068 0.000 0.955 473 F CB 1.121 40.030 39.000 -0.152 0.000 1.136 473 F HN 0.298 nan 8.300 nan 0.000 0.452 474 F N 1.316 121.466 119.950 0.334 0.000 2.449 474 F HA 0.657 5.183 4.527 -0.001 0.000 0.342 474 F C 0.674 176.696 175.800 0.369 0.000 1.127 474 F CA -1.083 57.111 58.000 0.324 0.000 0.975 474 F CB 1.437 40.676 39.000 0.398 0.000 1.146 474 F HN 0.515 nan 8.300 nan 0.000 0.444 475 G N 2.113 111.177 108.800 0.440 0.000 2.477 475 G HA2 0.640 4.599 3.960 -0.001 0.000 0.304 475 G HA3 0.640 4.599 3.960 -0.001 0.000 0.304 475 G C -0.875 174.233 174.900 0.347 0.000 1.175 475 G CA -1.064 44.282 45.100 0.409 0.000 0.907 475 G HN 0.702 nan 8.290 nan 0.000 0.509 476 R N -0.873 119.826 120.500 0.331 0.000 2.474 476 R HA 0.650 4.990 4.340 -0.001 0.000 0.295 476 R C -1.012 175.388 176.300 0.167 0.000 0.980 476 R CA -0.568 55.640 56.100 0.180 0.000 0.934 476 R CB 1.336 31.745 30.300 0.182 0.000 1.101 476 R HN 0.254 nan 8.270 nan 0.000 0.469 477 T N 2.149 116.763 114.554 0.100 0.000 2.791 477 T HA 0.114 4.463 4.350 -0.001 0.000 0.288 477 T C -0.666 174.111 174.700 0.128 0.000 0.999 477 T CA -0.611 61.601 62.100 0.186 0.000 0.952 477 T CB 1.177 70.229 68.868 0.306 0.000 0.938 477 T HN 0.669 nan 8.240 nan 0.000 0.444 478 E N 4.957 125.236 120.200 0.131 0.000 2.465 478 E HA 0.062 4.411 4.350 -0.001 0.000 0.260 478 E C -2.088 174.585 176.600 0.121 0.000 0.980 478 E CA -1.437 55.030 56.400 0.111 0.000 0.927 478 E CB 0.523 30.281 29.700 0.097 0.000 0.934 478 E HN 0.214 nan 8.360 nan 0.000 0.459 479 P HA 0.124 nan 4.420 nan 0.000 0.276 479 P C -1.237 176.218 177.300 0.258 0.000 1.243 479 P CA 0.020 63.255 63.100 0.225 0.000 0.768 479 P CB 0.747 32.601 31.700 0.257 0.000 0.856 480 K N 2.616 123.111 120.400 0.158 0.000 2.427 480 K HA 0.176 4.495 4.320 -0.001 0.000 0.252 480 K C 0.978 177.413 176.600 -0.274 0.000 0.931 480 K CA -0.730 55.569 56.287 0.021 0.000 0.793 480 K CB 2.349 34.816 32.500 -0.054 0.000 1.211 480 K HN 0.456 nan 8.250 nan 0.000 0.426 481 E N 2.060 121.936 120.200 -0.540 0.000 2.130 481 E HA -0.232 4.117 4.350 -0.001 0.000 0.196 481 E C 1.044 177.391 176.600 -0.423 0.000 0.998 481 E CA 1.592 57.447 56.400 -0.909 0.000 0.806 481 E CB 0.482 29.853 29.700 -0.548 0.000 0.738 481 E HN 0.545 nan 8.360 nan 0.000 0.459 482 E N 0.361 120.418 120.200 -0.238 0.000 2.274 482 E HA -0.116 4.233 4.350 -0.001 0.000 0.194 482 E C 0.060 176.597 176.600 -0.105 0.000 0.996 482 E CA 0.352 56.666 56.400 -0.144 0.000 0.840 482 E CB -0.300 29.332 29.700 -0.112 0.000 0.772 482 E HN 0.080 nan 8.360 nan 0.000 0.491 483 N N 2.012 120.637 118.700 -0.125 0.000 2.411 483 N HA 0.179 4.918 4.740 -0.001 0.000 0.259 483 N C -0.724 174.843 175.510 0.095 0.000 1.103 483 N CA 0.197 53.226 53.050 -0.035 0.000 0.954 483 N CB 1.106 39.523 38.487 -0.117 0.000 1.085 483 N HN 0.121 nan 8.380 nan 0.000 0.485 484 K N 1.078 121.594 120.400 0.193 0.000 2.477 484 K HA 0.462 4.782 4.320 -0.001 0.000 0.255 484 K C -1.149 175.610 176.600 0.266 0.000 0.952 484 K CA -0.893 55.523 56.287 0.216 0.000 0.826 484 K CB 2.366 35.000 32.500 0.224 0.000 1.331 484 K HN 0.189 nan 8.250 nan 0.000 0.437 485 L N 3.837 125.167 121.223 0.179 0.000 2.305 485 L HA 0.576 4.915 4.340 -0.001 0.000 0.284 485 L C -1.273 175.526 176.870 -0.118 0.000 1.013 485 L CA -0.041 54.744 54.840 -0.091 0.000 0.819 485 L CB 0.478 42.493 42.059 -0.074 0.000 1.227 485 L HN 0.683 nan 8.230 nan 0.000 0.417 486 W N 3.548 124.552 121.300 -0.494 0.000 3.017 486 W HA 0.635 5.294 4.660 -0.001 0.000 0.341 486 W C -2.119 173.888 176.519 -0.853 0.000 1.180 486 W CA -1.219 55.869 57.345 -0.428 0.000 1.097 486 W CB 0.855 30.235 29.460 -0.133 0.000 1.468 486 W HN 0.322 nan 8.180 nan 0.000 0.584 487 F N 1.541 121.662 119.950 0.284 0.000 2.529 487 F HA 0.338 4.865 4.527 -0.001 0.000 0.320 487 F C 0.829 176.777 175.800 0.247 0.000 1.118 487 F CA -0.914 57.143 58.000 0.095 0.000 0.915 487 F CB 2.021 41.062 39.000 0.068 0.000 1.161 487 F HN 0.260 nan 8.300 nan 0.000 0.445 488 S N 1.137 116.960 115.700 0.205 0.000 2.568 488 S HA 0.027 4.497 4.470 -0.001 0.000 0.282 488 S C 0.840 175.587 174.600 0.244 0.000 1.338 488 S CA -0.394 57.965 58.200 0.266 0.000 1.045 488 S CB 0.387 63.650 63.200 0.105 0.000 0.873 488 S HN 0.705 nan 8.310 nan 0.000 0.516 489 D N 2.679 123.212 120.400 0.221 0.000 2.339 489 D HA 0.142 4.782 4.640 -0.001 0.000 0.217 489 D C 1.037 177.400 176.300 0.106 0.000 1.050 489 D CA 0.397 54.484 54.000 0.145 0.000 0.856 489 D CB 0.202 41.070 40.800 0.113 0.000 0.922 489 D HN 0.289 nan 8.370 nan 0.000 0.518 490 K N -0.297 120.169 120.400 0.110 0.000 2.424 490 K HA 0.203 4.522 4.320 -0.001 0.000 0.200 490 K C 0.380 177.022 176.600 0.070 0.000 1.279 490 K CA -0.028 56.307 56.287 0.080 0.000 0.918 490 K CB 1.062 33.608 32.500 0.076 0.000 1.287 490 K HN 0.071 nan 8.250 nan 0.000 0.502 491 I N 3.067 123.681 120.570 0.073 0.000 2.519 491 I HA 0.122 4.292 4.170 -0.001 0.000 0.287 491 I C 0.673 176.824 176.117 0.058 0.000 1.047 491 I CA 0.056 61.388 61.300 0.053 0.000 1.381 491 I CB 0.872 38.891 38.000 0.032 0.000 1.417 491 I HN 0.101 nan 8.210 nan 0.000 0.540 492 T N 0.980 115.564 114.554 0.051 0.000 2.916 492 T HA 0.589 4.939 4.350 -0.001 0.000 0.292 492 T C -0.437 174.298 174.700 0.059 0.000 1.055 492 T CA -0.930 61.208 62.100 0.063 0.000 1.009 492 T CB 2.419 71.321 68.868 0.057 0.000 1.118 492 T HN 0.552 nan 8.240 nan 0.000 0.497 493 D N 0.652 121.104 120.400 0.087 0.000 2.507 493 D HA 0.495 5.135 4.640 -0.001 0.000 0.280 493 D C 1.614 177.956 176.300 0.070 0.000 1.219 493 D CA -0.455 53.603 54.000 0.096 0.000 1.085 493 D CB -0.035 40.863 40.800 0.163 0.000 1.134 493 D HN 0.656 nan 8.370 nan 0.000 0.583 494 A N -1.471 121.385 122.820 0.060 0.000 2.121 494 A HA -0.097 4.222 4.320 -0.001 0.000 0.218 494 A C 1.105 178.527 177.584 -0.270 0.000 1.154 494 A CA 0.854 52.830 52.037 -0.102 0.000 0.679 494 A CB -0.942 17.970 19.000 -0.147 0.000 0.795 494 A HN 0.543 nan 8.150 nan 0.000 0.458 495 Y N -1.373 118.952 120.300 0.042 0.000 2.607 495 Y HA 0.249 4.798 4.550 -0.001 0.000 0.266 495 Y C 0.728 176.655 175.900 0.045 0.000 1.178 495 Y CA -0.219 57.908 58.100 0.046 0.000 1.226 495 Y CB -0.325 38.151 38.460 0.027 0.000 1.144 495 Y HN 0.447 nan 8.280 nan 0.000 0.528 496 N N 0.009 118.778 118.700 0.115 0.000 2.747 496 N HA -0.170 4.569 4.740 -0.001 0.000 0.249 496 N C -0.672 174.888 175.510 0.083 0.000 1.107 496 N CA 0.489 53.584 53.050 0.075 0.000 0.707 496 N CB -0.447 38.066 38.487 0.042 0.000 1.054 496 N HN 0.131 nan 8.380 nan 0.000 0.555 497 M N -0.360 119.310 119.600 0.115 0.000 2.705 497 M HA 0.448 4.928 4.480 -0.001 0.000 0.311 497 M C -2.181 174.186 176.300 0.111 0.000 1.214 497 M CA -1.984 53.375 55.300 0.097 0.000 0.920 497 M CB 0.796 33.460 32.600 0.108 0.000 1.687 497 M HN -0.258 nan 8.290 nan 0.000 0.481 498 P HA 0.013 nan 4.420 nan 0.000 0.263 498 P C -0.713 176.741 177.300 0.257 0.000 1.195 498 P CA 0.051 63.251 63.100 0.166 0.000 0.762 498 P CB 0.249 32.051 31.700 0.169 0.000 0.799 499 Q N 7.154 127.047 119.800 0.155 0.000 2.286 499 Q HA 0.183 4.522 4.340 -0.001 0.000 0.267 499 Q C -2.278 173.676 176.000 -0.077 0.000 1.028 499 Q CA -2.111 53.727 55.803 0.057 0.000 0.901 499 Q CB -0.133 28.595 28.738 -0.017 0.000 1.183 499 Q HN 0.289 nan 8.270 nan 0.000 0.392 500 P HA 0.099 nan 4.420 nan 0.000 0.271 500 P C -1.011 175.778 177.300 -0.851 0.000 1.216 500 P CA -0.104 62.560 63.100 -0.726 0.000 0.776 500 P CB 1.003 32.363 31.700 -0.567 0.000 0.881 501 T N 2.794 116.614 114.554 -1.224 0.000 2.952 501 T HA 0.510 4.859 4.350 -0.001 0.000 0.305 501 T C -0.615 173.399 174.700 -1.143 0.000 1.064 501 T CA -0.102 61.299 62.100 -1.164 0.000 1.008 501 T CB 0.520 68.382 68.868 -1.677 0.000 1.078 501 T HN 0.057 nan 8.240 nan 0.000 0.459 502 F N 1.831 121.512 119.950 -0.449 0.000 2.432 502 F HA 0.567 5.093 4.527 -0.001 0.000 0.329 502 F C 0.634 176.387 175.800 -0.077 0.000 1.076 502 F CA -0.949 56.912 58.000 -0.231 0.000 1.018 502 F CB 1.109 40.020 39.000 -0.148 0.000 1.201 502 F HN 0.392 nan 8.300 nan 0.000 0.489 503 D N 2.782 123.361 120.400 0.300 0.000 2.375 503 D HA 0.235 4.874 4.640 -0.001 0.000 0.259 503 D C -1.828 174.612 176.300 0.233 0.000 1.235 503 D CA -0.086 54.071 54.000 0.262 0.000 0.924 503 D CB 0.370 41.355 40.800 0.308 0.000 1.143 503 D HN 0.299 nan 8.370 nan 0.000 0.529 504 F N 3.076 123.026 119.950 -0.000 0.000 2.581 504 F HA 0.612 5.138 4.527 -0.001 0.000 0.311 504 F C -1.299 174.402 175.800 -0.165 0.000 1.113 504 F CA -0.591 57.342 58.000 -0.111 0.000 0.935 504 F CB 1.448 40.317 39.000 -0.217 0.000 1.232 504 F HN 0.019 nan 8.300 nan 0.000 0.445 505 R N 4.356 124.337 120.500 -0.864 0.000 2.651 505 R HA 0.333 4.673 4.340 -0.001 0.000 0.278 505 R C -1.680 174.030 176.300 -0.983 0.000 1.010 505 R CA -0.930 54.796 56.100 -0.623 0.000 0.896 505 R CB 1.663 31.796 30.300 -0.279 0.000 1.211 505 R HN 0.598 nan 8.270 nan 0.000 0.456 506 F N 3.263 123.012 119.950 -0.335 0.000 2.578 506 F HA 0.156 4.682 4.527 -0.001 0.000 0.381 506 F C -1.272 174.410 175.800 -0.197 0.000 1.069 506 F CA -0.916 56.965 58.000 -0.199 0.000 1.231 506 F CB -0.109 38.893 39.000 0.002 0.000 1.086 506 F HN 0.142 nan 8.300 nan 0.000 0.564 507 P HA 0.141 nan 4.420 nan 0.000 0.268 507 P C -0.582 176.733 177.300 0.025 0.000 1.205 507 P CA -0.220 62.858 63.100 -0.037 0.000 0.771 507 P CB 0.588 32.280 31.700 -0.014 0.000 0.858 508 A N 2.516 125.337 122.820 0.002 0.000 2.386 508 A HA 0.567 4.887 4.320 -0.001 0.000 0.246 508 A C 1.068 178.668 177.584 0.027 0.000 1.089 508 A CA 0.819 52.864 52.037 0.014 0.000 0.790 508 A CB -0.957 18.043 19.000 0.000 0.000 1.042 508 A HN 0.830 nan 8.150 nan 0.000 0.497 509 G N -0.066 108.752 108.800 0.030 0.000 2.481 509 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.230 509 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.230 509 G C 0.985 175.917 174.900 0.054 0.000 1.210 509 G CA 0.670 45.793 45.100 0.039 0.000 0.936 509 G HN 1.001 nan 8.290 nan 0.000 0.583 510 R N -0.216 120.321 120.500 0.063 0.000 2.096 510 R HA -0.115 4.224 4.340 -0.001 0.000 0.240 510 R C 2.796 179.157 176.300 0.101 0.000 1.139 510 R CA 2.869 59.017 56.100 0.080 0.000 0.952 510 R CB -0.949 29.399 30.300 0.081 0.000 0.854 510 R HN 0.632 nan 8.270 nan 0.000 0.436 511 T N -0.006 114.611 114.554 0.105 0.000 2.684 511 T HA -0.121 4.228 4.350 -0.001 0.000 0.267 511 T C 1.933 176.696 174.700 0.104 0.000 1.036 511 T CA 1.857 64.037 62.100 0.133 0.000 1.148 511 T CB -0.185 68.781 68.868 0.162 0.000 0.863 511 T HN 0.282 nan 8.240 nan 0.000 0.436 512 S N 0.472 116.216 115.700 0.073 0.000 2.371 512 S HA -0.021 4.448 4.470 -0.001 0.000 0.224 512 S C 2.025 176.644 174.600 0.031 0.000 1.029 512 S CA 0.999 59.215 58.200 0.026 0.000 0.978 512 S CB -0.168 63.042 63.200 0.016 0.000 0.833 512 S HN 0.515 nan 8.310 nan 0.000 0.466 513 K N 1.440 121.873 120.400 0.056 0.000 2.026 513 K HA -0.126 4.194 4.320 -0.001 0.000 0.208 513 K C 1.904 178.567 176.600 0.106 0.000 1.048 513 K CA 1.509 57.837 56.287 0.068 0.000 0.929 513 K CB -0.134 32.410 32.500 0.072 0.000 0.713 513 K HN 0.326 nan 8.250 nan 0.000 0.439 514 E N -0.089 120.200 120.200 0.148 0.000 2.110 514 E HA -0.192 4.157 4.350 -0.001 0.000 0.193 514 E C 1.956 178.667 176.600 0.185 0.000 0.988 514 E CA 0.997 57.547 56.400 0.250 0.000 0.804 514 E CB -0.115 29.761 29.700 0.294 0.000 0.745 514 E HN 0.478 nan 8.360 nan 0.000 0.458 515 A N 1.277 124.170 122.820 0.122 0.000 1.902 515 A HA -0.235 4.084 4.320 -0.001 0.000 0.217 515 A C 2.079 179.748 177.584 0.143 0.000 1.181 515 A CA 1.730 53.837 52.037 0.116 0.000 0.623 515 A CB -0.316 18.710 19.000 0.043 0.000 0.818 515 A HN 0.131 nan 8.150 nan 0.000 0.443 516 E N 0.536 120.799 120.200 0.104 0.000 2.072 516 E HA -0.133 4.217 4.350 -0.001 0.000 0.190 516 E C 1.326 177.918 176.600 -0.013 0.000 0.982 516 E CA 1.436 57.893 56.400 0.095 0.000 0.803 516 E CB -0.312 29.417 29.700 0.049 0.000 0.755 516 E HN 0.500 nan 8.360 nan 0.000 0.453 517 D N 0.088 120.483 120.400 -0.009 0.000 2.123 517 D HA -0.205 4.435 4.640 -0.001 0.000 0.196 517 D C 1.949 178.021 176.300 -0.380 0.000 0.992 517 D CA 1.391 55.370 54.000 -0.035 0.000 0.833 517 D CB -0.373 40.541 40.800 0.189 0.000 0.954 517 D HN 0.326 nan 8.370 nan 0.000 0.455 518 M N -0.240 118.919 119.600 -0.735 0.000 2.080 518 M HA -0.229 4.250 4.480 -0.001 0.000 0.260 518 M C 2.098 177.986 176.300 -0.687 0.000 1.068 518 M CA 1.386 55.893 55.300 -1.322 0.000 1.109 518 M CB -0.037 32.044 32.600 -0.864 0.000 1.342 518 M HN -0.020 nan 8.290 nan 0.000 0.405 519 M N 0.446 119.772 119.600 -0.456 0.000 2.073 519 M HA -0.177 4.302 4.480 -0.001 0.000 0.258 519 M C 1.826 177.925 176.300 -0.335 0.000 1.070 519 M CA 2.543 57.577 55.300 -0.443 0.000 1.103 519 M CB -1.085 31.323 32.600 -0.320 0.000 1.321 519 M HN 0.309 nan 8.290 nan 0.000 0.405 520 T N 0.029 114.451 114.554 -0.220 0.000 2.720 520 T HA -0.178 4.171 4.350 -0.001 0.000 0.268 520 T C 1.498 176.128 174.700 -0.116 0.000 1.037 520 T CA 1.858 63.879 62.100 -0.131 0.000 1.144 520 T CB -0.634 68.201 68.868 -0.055 0.000 0.864 520 T HN 0.564 nan 8.240 nan 0.000 0.444 521 D N 0.496 120.823 120.400 -0.122 0.000 2.149 521 D HA -0.082 4.557 4.640 -0.001 0.000 0.198 521 D C 2.061 178.368 176.300 0.012 0.000 0.990 521 D CA 0.892 54.929 54.000 0.062 0.000 0.839 521 D CB -0.213 40.706 40.800 0.200 0.000 0.948 521 D HN 0.320 nan 8.370 nan 0.000 0.460 522 M N -0.531 118.867 119.600 -0.336 0.000 2.132 522 M HA -0.157 4.322 4.480 -0.001 0.000 0.263 522 M C 1.902 177.923 176.300 -0.466 0.000 1.065 522 M CA 1.293 56.136 55.300 -0.763 0.000 1.122 522 M CB -0.156 31.691 32.600 -1.255 0.000 1.365 522 M HN 0.187 nan 8.290 nan 0.000 0.411 523 C N -0.197 118.930 119.300 -0.288 0.000 2.429 523 C HA -0.112 4.347 4.460 -0.001 0.000 0.277 523 C C 2.674 177.567 174.990 -0.162 0.000 1.262 523 C CA 0.909 59.856 59.018 -0.117 0.000 1.733 523 C CB -1.026 26.702 27.740 -0.020 0.000 2.010 523 C HN 0.509 nan 8.230 nan 0.000 0.483 524 V N 0.428 120.281 119.914 -0.102 0.000 2.323 524 V HA -0.256 3.863 4.120 -0.001 0.000 0.244 524 V C 2.393 178.461 176.094 -0.044 0.000 1.041 524 V CA 2.137 64.404 62.300 -0.054 0.000 1.025 524 V CB -0.661 31.183 31.823 0.035 0.000 0.656 524 V HN 0.575 nan 8.190 nan 0.000 0.451 525 M N 0.816 120.436 119.600 0.033 0.000 2.099 525 M HA -0.164 4.315 4.480 -0.001 0.000 0.262 525 M C 2.506 178.687 176.300 -0.197 0.000 1.067 525 M CA 2.315 57.711 55.300 0.160 0.000 1.124 525 M CB -0.209 32.632 32.600 0.402 0.000 1.353 525 M HN 0.555 nan 8.290 nan 0.000 0.410 526 S N 0.617 115.874 115.700 -0.739 0.000 2.400 526 S HA -0.099 4.370 4.470 -0.001 0.000 0.232 526 S C 1.982 176.174 174.600 -0.680 0.000 1.025 526 S CA 1.092 58.431 58.200 -1.435 0.000 0.993 526 S CB -0.904 61.159 63.200 -1.894 0.000 0.808 526 S HN 0.581 nan 8.310 nan 0.000 0.478 527 A N 2.015 124.539 122.820 -0.494 0.000 2.070 527 A HA -0.038 4.281 4.320 -0.001 0.000 0.220 527 A C 2.179 179.632 177.584 -0.219 0.000 1.159 527 A CA 1.455 53.263 52.037 -0.382 0.000 0.656 527 A CB -0.563 18.236 19.000 -0.334 0.000 0.800 527 A HN 0.655 nan 8.150 nan 0.000 0.453 528 K N -0.709 119.608 120.400 -0.139 0.000 2.365 528 K HA 0.033 4.353 4.320 -0.001 0.000 0.199 528 K C 1.166 177.759 176.600 -0.012 0.000 1.045 528 K CA 0.730 56.984 56.287 -0.054 0.000 0.962 528 K CB 0.001 32.510 32.500 0.014 0.000 0.759 528 K HN 0.406 nan 8.250 nan 0.000 0.469 529 I N -0.668 119.907 120.570 0.009 0.000 3.172 529 I HA 0.145 4.315 4.170 -0.001 0.000 0.278 529 I C 1.086 177.216 176.117 0.022 0.000 1.174 529 I CA 0.571 61.925 61.300 0.090 0.000 1.445 529 I CB 0.009 38.206 38.000 0.328 0.000 1.175 529 I HN 0.086 nan 8.210 nan 0.000 0.447 530 G N -0.591 108.166 108.800 -0.072 0.000 2.368 530 G HA2 0.459 4.418 3.960 -0.001 0.000 0.293 530 G HA3 0.459 4.418 3.960 -0.001 0.000 0.293 530 G C -0.591 174.163 174.900 -0.244 0.000 1.467 530 G CA -0.183 44.853 45.100 -0.106 0.000 0.804 530 G HN 0.276 nan 8.290 nan 0.000 0.535 531 G N -1.021 107.636 108.800 -0.237 0.000 2.599 531 G HA2 0.539 4.498 3.960 -0.001 0.000 0.264 531 G HA3 0.539 4.498 3.960 -0.001 0.000 0.264 531 G C -0.194 174.537 174.900 -0.282 0.000 1.200 531 G CA -0.524 44.350 45.100 -0.378 0.000 0.896 531 G HN 0.466 nan 8.290 nan 0.000 0.536 532 F N -0.686 119.169 119.950 -0.159 0.000 2.563 532 F HA 0.165 4.692 4.527 -0.001 0.000 0.363 532 F C 0.760 176.499 175.800 -0.101 0.000 1.123 532 F CA -0.698 57.203 58.000 -0.165 0.000 1.307 532 F CB 0.575 39.469 39.000 -0.175 0.000 1.115 532 F HN 0.169 nan 8.300 nan 0.000 0.592 533 L N 6.236 127.528 121.223 0.114 0.000 2.369 533 L HA 0.375 4.714 4.340 -0.001 0.000 0.279 533 L C -2.393 174.521 176.870 0.073 0.000 1.108 533 L CA -1.884 52.999 54.840 0.072 0.000 0.852 533 L CB -0.073 42.024 42.059 0.062 0.000 1.169 533 L HN 0.288 nan 8.230 nan 0.000 0.452 534 P HA 0.180 nan 4.420 nan 0.000 0.265 534 P C 0.658 178.006 177.300 0.079 0.000 1.187 534 P CA 1.030 64.166 63.100 0.060 0.000 0.766 534 P CB 0.612 32.343 31.700 0.052 0.000 0.820 535 G N 1.783 110.624 108.800 0.068 0.000 2.205 535 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.261 535 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.261 535 G C 0.451 175.434 174.900 0.138 0.000 0.980 535 G CA 0.316 45.477 45.100 0.102 0.000 0.632 535 G HN 0.537 nan 8.290 nan 0.000 0.533 536 S N 0.614 116.365 115.700 0.085 0.000 2.474 536 S HA 0.520 4.990 4.470 -0.001 0.000 0.224 536 S C 0.404 174.906 174.600 -0.163 0.000 1.209 536 S CA -0.562 57.674 58.200 0.060 0.000 1.212 536 S CB 0.327 63.534 63.200 0.012 0.000 1.137 536 S HN 0.460 nan 8.310 nan 0.000 0.446 537 L N 2.586 123.706 121.223 -0.171 0.000 2.453 537 L HA 0.382 4.722 4.340 -0.001 0.000 0.261 537 L C -2.015 174.559 176.870 -0.494 0.000 1.179 537 L CA -2.300 52.298 54.840 -0.403 0.000 0.813 537 L CB 0.056 41.942 42.059 -0.289 0.000 1.110 537 L HN 0.088 nan 8.230 nan 0.000 0.466 538 P HA 0.000 nan 4.420 nan 0.000 0.263 538 P C -1.467 175.609 177.300 -0.373 0.000 1.195 538 P CA 0.120 62.841 63.100 -0.633 0.000 0.762 538 P CB 0.463 31.701 31.700 -0.771 0.000 0.799 539 Q N 1.817 121.442 119.800 -0.292 0.000 2.426 539 Q HA 0.472 4.811 4.340 -0.001 0.000 0.278 539 Q C -1.479 174.401 176.000 -0.200 0.000 1.007 539 Q CA -0.872 54.845 55.803 -0.143 0.000 0.850 539 Q CB 0.671 29.395 28.738 -0.024 0.000 1.427 539 Q HN 0.095 nan 8.270 nan 0.000 0.391 540 F N 1.565 121.463 119.950 -0.087 0.000 2.429 540 F HA 0.325 4.851 4.527 -0.001 0.000 0.348 540 F C 0.699 176.469 175.800 -0.050 0.000 1.109 540 F CA -0.266 57.682 58.000 -0.086 0.000 1.232 540 F CB 0.989 39.928 39.000 -0.102 0.000 1.157 540 F HN 0.397 nan 8.300 nan 0.000 0.564 541 M N 1.641 121.296 119.600 0.091 0.000 2.288 541 M HA 0.119 4.598 4.480 -0.001 0.000 0.334 541 M C 0.233 176.574 176.300 0.069 0.000 1.150 541 M CA -0.440 54.881 55.300 0.035 0.000 1.118 541 M CB 0.755 33.331 32.600 -0.040 0.000 1.501 541 M HN 0.604 nan 8.290 nan 0.000 0.462 542 E N 3.155 123.370 120.200 0.026 0.000 2.765 542 E HA -0.048 4.301 4.350 -0.001 0.000 0.256 542 E C -2.136 174.484 176.600 0.033 0.000 0.935 542 E CA -1.002 55.410 56.400 0.021 0.000 0.954 542 E CB 0.296 29.984 29.700 -0.020 0.000 0.908 542 E HN 0.184 nan 8.360 nan 0.000 0.500 543 P HA 0.023 nan 4.420 nan 0.000 0.262 543 P C 0.353 177.588 177.300 -0.108 0.000 1.199 543 P CA 1.155 64.294 63.100 0.065 0.000 0.763 543 P CB 0.659 32.380 31.700 0.035 0.000 0.790 544 G N 2.641 111.384 108.800 -0.096 0.000 2.213 544 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.236 544 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.236 544 G C 0.774 175.627 174.900 -0.078 0.000 0.991 544 G CA 0.159 45.160 45.100 -0.165 0.000 0.629 544 G HN 0.511 nan 8.290 nan 0.000 0.517 545 L N 1.092 122.283 121.223 -0.052 0.000 2.127 545 L HA 0.070 4.410 4.340 -0.001 0.000 0.211 545 L C 2.893 179.747 176.870 -0.026 0.000 1.089 545 L CA 2.556 57.371 54.840 -0.042 0.000 0.757 545 L CB -0.446 41.580 42.059 -0.054 0.000 0.899 545 L HN 0.542 nan 8.230 nan 0.000 0.434 546 V N 0.027 119.929 119.914 -0.020 0.000 2.453 546 V HA -0.225 3.894 4.120 -0.001 0.000 0.252 546 V C 1.525 177.550 176.094 -0.115 0.000 1.068 546 V CA 1.394 63.669 62.300 -0.041 0.000 1.070 546 V CB -0.356 31.482 31.823 0.025 0.000 0.664 546 V HN 0.498 nan 8.190 nan 0.000 0.461 547 L N 0.203 121.424 121.223 -0.004 0.000 3.677 547 L HA -0.252 4.088 4.340 -0.001 0.000 0.464 547 L C 0.300 177.328 176.870 0.264 0.000 1.278 547 L CA 0.949 55.849 54.840 0.101 0.000 0.806 547 L CB -2.485 39.662 42.059 0.146 0.000 1.610 547 L HN 0.582 nan 8.230 nan 0.000 0.867 548 H N -0.498 118.686 119.070 0.189 0.000 2.481 548 H HA 0.290 4.846 4.556 -0.001 0.000 0.273 548 H C 0.484 175.955 175.328 0.239 0.000 1.145 548 H CA -1.109 55.092 56.048 0.256 0.000 0.964 548 H CB 0.692 30.653 29.762 0.332 0.000 1.722 548 H HN 0.236 nan 8.280 nan 0.000 0.573 549 L N 2.020 123.392 121.223 0.248 0.000 2.584 549 L HA 0.176 4.515 4.340 -0.001 0.000 0.272 549 L C 0.587 177.589 176.870 0.220 0.000 1.195 549 L CA 0.715 55.649 54.840 0.157 0.000 0.920 549 L CB 0.192 42.309 42.059 0.096 0.000 1.173 549 L HN 0.296 nan 8.230 nan 0.000 0.489 550 G N 2.086 111.029 108.800 0.238 0.000 2.730 550 G HA2 0.547 4.506 3.960 -0.001 0.000 0.289 550 G HA3 0.547 4.506 3.960 -0.001 0.000 0.289 550 G C 0.351 175.358 174.900 0.178 0.000 1.341 550 G CA -0.319 44.943 45.100 0.270 0.000 0.932 550 G HN 1.302 nan 8.290 nan 0.000 0.481 551 G N -1.214 107.655 108.800 0.115 0.000 2.179 551 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.260 551 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.260 551 G C 1.380 176.344 174.900 0.107 0.000 0.977 551 G CA 1.531 46.707 45.100 0.127 0.000 0.641 551 G HN 1.855 nan 8.290 nan 0.000 0.533 552 T N -1.770 112.803 114.554 0.030 0.000 2.962 552 T HA 0.125 4.474 4.350 -0.001 0.000 0.270 552 T C 1.071 175.856 174.700 0.141 0.000 1.088 552 T CA 1.894 64.056 62.100 0.104 0.000 1.127 552 T CB -0.296 68.647 68.868 0.124 0.000 0.883 552 T HN 1.527 nan 8.240 nan 0.000 0.493 553 H N -0.147 118.999 119.070 0.128 0.000 2.597 553 H HA 0.478 5.033 4.556 -0.001 0.000 0.225 553 H C -0.152 175.219 175.328 0.071 0.000 1.422 553 H CA -1.371 54.726 56.048 0.083 0.000 1.335 553 H CB -0.285 29.490 29.762 0.022 0.000 1.783 553 H HN 0.371 nan 8.280 nan 0.000 0.513 554 R N 0.651 121.237 120.500 0.143 0.000 2.560 554 R HA 0.393 4.732 4.340 -0.001 0.000 0.270 554 R C -0.366 175.991 176.300 0.096 0.000 1.074 554 R CA -0.873 55.281 56.100 0.089 0.000 1.140 554 R CB 1.108 31.455 30.300 0.078 0.000 1.073 554 R HN 0.438 nan 8.270 nan 0.000 0.527 555 M N 1.202 120.834 119.600 0.054 0.000 2.274 555 M HA 0.433 4.912 4.480 -0.001 0.000 0.344 555 M C -0.477 175.819 176.300 -0.007 0.000 1.161 555 M CA 0.317 55.626 55.300 0.015 0.000 1.126 555 M CB 1.491 34.076 32.600 -0.024 0.000 1.522 555 M HN 0.956 nan 8.290 nan 0.000 0.461 556 G N 2.141 110.947 108.800 0.011 0.000 2.548 556 G HA2 0.394 4.353 3.960 -0.001 0.000 0.301 556 G HA3 0.394 4.353 3.960 -0.001 0.000 0.301 556 G C -0.949 173.958 174.900 0.012 0.000 1.349 556 G CA -0.682 44.375 45.100 -0.072 0.000 0.792 556 G HN 0.659 nan 8.290 nan 0.000 0.481 557 F N -0.074 119.974 119.950 0.163 0.000 2.270 557 F HA 0.286 4.813 4.527 -0.001 0.000 0.295 557 F C 1.065 176.982 175.800 0.195 0.000 1.087 557 F CA 0.991 59.089 58.000 0.162 0.000 1.365 557 F CB 0.445 39.501 39.000 0.092 0.000 1.056 557 F HN 0.381 nan 8.300 nan 0.000 0.506 558 D N -0.985 119.571 120.400 0.260 0.000 2.757 558 D HA 0.128 4.768 4.640 -0.001 0.000 0.249 558 D C 0.721 176.856 176.300 -0.274 0.000 1.168 558 D CA -0.245 53.751 54.000 -0.006 0.000 0.870 558 D CB 1.344 42.158 40.800 0.023 0.000 1.411 558 D HN 0.075 nan 8.370 nan 0.000 0.525 559 E N 3.089 122.782 120.200 -0.845 0.000 2.070 559 E HA -0.292 4.057 4.350 -0.001 0.000 0.197 559 E C 1.298 177.712 176.600 -0.310 0.000 1.004 559 E CA 1.355 57.233 56.400 -0.871 0.000 0.805 559 E CB 0.272 29.312 29.700 -1.100 0.000 0.744 559 E HN 0.434 nan 8.360 nan 0.000 0.451 560 K N -0.006 120.265 120.400 -0.216 0.000 2.067 560 K HA -0.097 4.223 4.320 -0.001 0.000 0.203 560 K C 2.048 178.614 176.600 -0.057 0.000 1.048 560 K CA 1.195 57.424 56.287 -0.096 0.000 0.954 560 K CB 0.092 32.551 32.500 -0.068 0.000 0.737 560 K HN 0.082 nan 8.250 nan 0.000 0.444 561 E N 0.395 120.564 120.200 -0.051 0.000 2.106 561 E HA -0.145 4.204 4.350 -0.001 0.000 0.192 561 E C 0.770 177.366 176.600 -0.007 0.000 0.984 561 E CA 1.108 57.502 56.400 -0.011 0.000 0.806 561 E CB 0.141 29.848 29.700 0.011 0.000 0.750 561 E HN 0.349 nan 8.360 nan 0.000 0.458 562 D N 0.088 120.477 120.400 -0.019 0.000 2.363 562 D HA 0.049 4.689 4.640 -0.001 0.000 0.214 562 D C -0.645 175.586 176.300 -0.115 0.000 1.093 562 D CA 0.001 53.984 54.000 -0.029 0.000 0.837 562 D CB 0.101 40.920 40.800 0.032 0.000 0.948 562 D HN 0.075 nan 8.370 nan 0.000 0.507 563 N N 0.594 119.228 118.700 -0.109 0.000 2.671 563 N HA -0.186 4.553 4.740 -0.001 0.000 0.261 563 N C -0.335 175.096 175.510 -0.132 0.000 1.053 563 N CA 0.629 53.595 53.050 -0.141 0.000 0.732 563 N CB -1.518 36.764 38.487 -0.343 0.000 0.887 563 N HN 0.408 nan 8.380 nan 0.000 0.546 564 C N -3.353 115.948 119.300 0.002 0.000 3.285 564 C HA 0.796 5.255 4.460 -0.001 0.000 0.320 564 C C 1.231 176.392 174.990 0.286 0.000 1.411 564 C CA -0.604 58.486 59.018 0.121 0.000 1.429 564 C CB 1.577 29.402 27.740 0.143 0.000 1.812 564 C HN 0.501 nan 8.230 nan 0.000 0.454 565 C N 0.262 119.766 119.300 0.340 0.000 3.294 565 C HA 0.506 4.966 4.460 -0.001 0.000 0.441 565 C C 0.622 175.722 174.990 0.183 0.000 1.364 565 C CA 0.628 59.843 59.018 0.329 0.000 2.059 565 C CB -0.317 27.536 27.740 0.189 0.000 2.925 565 C HN 0.981 nan 8.230 nan 0.000 0.633 566 V N 1.220 121.134 119.914 0.001 0.000 3.001 566 V HA 0.723 4.842 4.120 -0.001 0.000 0.314 566 V C -0.756 175.014 176.094 -0.539 0.000 1.099 566 V CA -0.636 61.417 62.300 -0.413 0.000 0.989 566 V CB 1.527 33.225 31.823 -0.207 0.000 1.040 566 V HN 0.389 nan 8.190 nan 0.000 0.434 567 N N 0.653 118.879 118.700 -0.789 0.000 2.431 567 N HA 0.265 5.004 4.740 -0.001 0.000 0.289 567 N C 1.015 176.399 175.510 -0.210 0.000 1.277 567 N CA 0.217 53.032 53.050 -0.393 0.000 0.972 567 N CB -0.177 38.111 38.487 -0.332 0.000 1.143 567 N HN 0.926 nan 8.380 nan 0.000 0.578 568 T N -4.751 109.724 114.554 -0.132 0.000 3.163 568 T HA 0.024 4.374 4.350 -0.001 0.000 0.260 568 T C 0.094 174.722 174.700 -0.120 0.000 1.156 568 T CA 0.537 62.556 62.100 -0.135 0.000 1.072 568 T CB -0.399 68.406 68.868 -0.105 0.000 0.937 568 T HN 0.430 nan 8.240 nan 0.000 0.528 569 D N 1.113 121.434 120.400 -0.131 0.000 2.339 569 D HA 0.170 4.809 4.640 -0.001 0.000 0.217 569 D C 0.592 176.891 176.300 -0.003 0.000 1.050 569 D CA 0.135 54.070 54.000 -0.107 0.000 0.856 569 D CB 0.109 40.729 40.800 -0.301 0.000 0.922 569 D HN 0.342 nan 8.370 nan 0.000 0.518 570 S N 0.169 115.841 115.700 -0.047 0.000 3.490 570 S HA -0.253 4.216 4.470 -0.001 0.000 0.301 570 S C 0.550 175.144 174.600 -0.010 0.000 1.233 570 S CA 0.475 58.684 58.200 0.016 0.000 0.914 570 S CB -1.355 61.932 63.200 0.144 0.000 1.047 570 S HN 0.473 nan 8.310 nan 0.000 0.602 571 R N 1.156 121.530 120.500 -0.211 0.000 2.357 571 R HA 0.492 4.832 4.340 -0.001 0.000 0.296 571 R C -0.037 175.944 176.300 -0.532 0.000 1.052 571 R CA -0.416 55.361 56.100 -0.538 0.000 0.988 571 R CB 0.691 30.627 30.300 -0.608 0.000 1.025 571 R HN 0.128 nan 8.270 nan 0.000 0.469 572 V N 5.840 125.471 119.914 -0.472 0.000 2.585 572 V HA 0.034 4.153 4.120 -0.001 0.000 0.296 572 V C 0.145 176.153 176.094 -0.143 0.000 1.035 572 V CA 0.164 62.275 62.300 -0.317 0.000 1.084 572 V CB 0.082 31.706 31.823 -0.332 0.000 0.953 572 V HN 0.564 nan 8.190 nan 0.000 0.483 573 F N 3.532 123.522 119.950 0.067 0.000 2.572 573 F HA 0.443 4.969 4.527 -0.001 0.000 0.370 573 F C 1.527 177.456 175.800 0.214 0.000 1.103 573 F CA 1.400 59.462 58.000 0.104 0.000 1.286 573 F CB 0.235 39.291 39.000 0.092 0.000 1.105 573 F HN 0.779 nan 8.300 nan 0.000 0.583 574 G N 2.140 111.118 108.800 0.296 0.000 2.241 574 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.244 574 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.244 574 G C -0.146 174.697 174.900 -0.094 0.000 0.998 574 G CA -0.512 44.650 45.100 0.104 0.000 0.621 574 G HN 0.431 nan 8.290 nan 0.000 0.519 575 F N 1.220 121.185 119.950 0.026 0.000 2.444 575 F HA 0.583 5.109 4.527 -0.001 0.000 0.342 575 F C 1.418 177.201 175.800 -0.028 0.000 1.121 575 F CA -0.928 57.075 58.000 0.004 0.000 0.997 575 F CB 1.685 40.681 39.000 -0.006 0.000 1.130 575 F HN -0.215 nan 8.300 nan 0.000 0.454 576 K N 1.625 122.124 120.400 0.165 0.000 2.148 576 K HA -0.102 4.218 4.320 -0.001 0.000 0.204 576 K C 0.722 177.522 176.600 0.334 0.000 1.050 576 K CA 1.196 57.619 56.287 0.226 0.000 0.942 576 K CB 0.011 32.656 32.500 0.241 0.000 0.724 576 K HN 0.648 nan 8.250 nan 0.000 0.446 577 N N -0.051 118.810 118.700 0.268 0.000 2.305 577 N HA 0.038 4.778 4.740 -0.001 0.000 0.248 577 N C -0.650 174.947 175.510 0.145 0.000 1.290 577 N CA -0.317 52.930 53.050 0.329 0.000 0.873 577 N CB -0.055 38.683 38.487 0.419 0.000 1.261 577 N HN -0.054 nan 8.380 nan 0.000 0.504 578 L N 0.422 121.511 121.223 -0.223 0.000 2.356 578 L HA 0.719 5.058 4.340 -0.001 0.000 0.277 578 L C -1.825 174.646 176.870 -0.665 0.000 0.996 578 L CA -0.569 54.113 54.840 -0.263 0.000 0.822 578 L CB 1.082 42.980 42.059 -0.267 0.000 1.256 578 L HN -0.039 nan 8.230 nan 0.000 0.413 579 F N 4.823 124.685 119.950 -0.147 0.000 2.563 579 F HA 0.671 5.198 4.527 -0.001 0.000 0.316 579 F C -0.664 174.981 175.800 -0.258 0.000 1.076 579 F CA -0.648 57.248 58.000 -0.174 0.000 0.921 579 F CB 1.950 40.877 39.000 -0.120 0.000 1.209 579 F HN 0.208 nan 8.300 nan 0.000 0.462 580 L N 1.918 123.098 121.223 -0.072 0.000 2.346 580 L HA 0.894 5.233 4.340 -0.001 0.000 0.276 580 L C -0.013 176.861 176.870 0.007 0.000 1.006 580 L CA -0.833 53.896 54.840 -0.184 0.000 0.817 580 L CB 1.945 43.752 42.059 -0.421 0.000 1.272 580 L HN 0.772 nan 8.230 nan 0.000 0.421 581 G N 0.348 109.161 108.800 0.021 0.000 2.524 581 G HA2 0.792 4.751 3.960 -0.001 0.000 0.310 581 G HA3 0.792 4.751 3.960 -0.001 0.000 0.310 581 G C -0.516 174.498 174.900 0.191 0.000 1.279 581 G CA -0.286 44.931 45.100 0.195 0.000 0.974 581 G HN 0.970 nan 8.290 nan 0.000 0.484 582 G N -1.112 107.796 108.800 0.180 0.000 2.343 582 G HA2 0.069 4.029 3.960 -0.001 0.000 0.465 582 G HA3 0.069 4.029 3.960 -0.001 0.000 0.465 582 G C 0.746 175.698 174.900 0.085 0.000 1.282 582 G CA 0.056 45.237 45.100 0.135 0.000 0.996 582 G HN 1.159 nan 8.290 nan 0.000 0.521 583 C N 0.643 119.973 119.300 0.049 0.000 2.419 583 C HA 0.198 4.658 4.460 -0.001 0.000 0.283 583 C C 3.019 177.989 174.990 -0.033 0.000 1.373 583 C CA 1.768 60.796 59.018 0.016 0.000 1.781 583 C CB -1.343 26.442 27.740 0.074 0.000 1.886 583 C HN 1.264 nan 8.230 nan 0.000 0.520 584 G N 1.249 109.934 108.800 -0.190 0.000 2.479 584 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.220 584 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.220 584 G C 1.415 175.947 174.900 -0.613 0.000 1.115 584 G CA 0.775 45.486 45.100 -0.648 0.000 0.757 584 G HN 0.547 nan 8.290 nan 0.000 0.560 585 N N 0.321 118.872 118.700 -0.248 0.000 2.309 585 N HA 0.011 4.750 4.740 -0.001 0.000 0.182 585 N C 0.899 176.421 175.510 0.020 0.000 1.018 585 N CA 0.222 53.277 53.050 0.008 0.000 0.876 585 N CB 0.003 38.546 38.487 0.094 0.000 0.972 585 N HN 0.308 nan 8.380 nan 0.000 0.434 586 I N 2.795 123.379 120.570 0.024 0.000 2.452 586 I HA 0.051 4.220 4.170 -0.001 0.000 0.287 586 I C -1.357 174.852 176.117 0.154 0.000 1.079 586 I CA -1.098 60.248 61.300 0.077 0.000 1.387 586 I CB 1.445 39.446 38.000 0.002 0.000 1.404 586 I HN -0.059 nan 8.210 nan 0.000 0.522 587 P HA 0.065 nan 4.420 nan 0.000 0.264 587 P C 0.283 177.671 177.300 0.147 0.000 1.259 587 P CA 0.213 63.383 63.100 0.117 0.000 0.841 587 P CB 0.227 31.954 31.700 0.044 0.000 1.232 588 T N -1.971 112.704 114.554 0.201 0.000 2.862 588 T HA 0.670 5.019 4.350 -0.001 0.000 0.276 588 T C 0.231 175.056 174.700 0.209 0.000 0.974 588 T CA -0.841 61.363 62.100 0.173 0.000 0.966 588 T CB 1.036 69.984 68.868 0.134 0.000 1.072 588 T HN 0.054 nan 8.240 nan 0.000 0.538 589 A N 1.709 124.586 122.820 0.094 0.000 2.310 589 A HA 0.613 4.932 4.320 -0.001 0.000 0.300 589 A C -0.656 176.880 177.584 -0.081 0.000 1.269 589 A CA -0.877 51.162 52.037 0.004 0.000 0.909 589 A CB -0.844 18.183 19.000 0.046 0.000 1.144 589 A HN 0.852 nan 8.150 nan 0.000 0.540 590 Y N -0.401 119.795 120.300 -0.172 0.000 2.536 590 Y HA 0.740 5.289 4.550 -0.001 0.000 0.347 590 Y C 0.726 176.483 175.900 -0.238 0.000 1.000 590 Y CA -0.710 57.095 58.100 -0.492 0.000 1.051 590 Y CB 1.478 39.419 38.460 -0.866 0.000 1.259 590 Y HN 0.384 nan 8.280 nan 0.000 0.468 591 G N 0.325 109.015 108.800 -0.183 0.000 2.748 591 G HA2 0.412 4.371 3.960 -0.001 0.000 0.204 591 G HA3 0.412 4.371 3.960 -0.001 0.000 0.204 591 G C 0.356 175.361 174.900 0.176 0.000 1.095 591 G CA 0.166 45.386 45.100 0.200 0.000 0.775 591 G HN 0.946 nan 8.290 nan 0.000 0.531 592 A N 0.780 123.521 122.820 -0.132 0.000 2.366 592 A HA 0.491 4.810 4.320 -0.001 0.000 0.249 592 A C -0.086 177.414 177.584 -0.139 0.000 1.084 592 A CA -0.498 51.345 52.037 -0.323 0.000 0.794 592 A CB 0.057 18.862 19.000 -0.326 0.000 1.034 592 A HN 0.361 nan 8.150 nan 0.000 0.491 593 N N 1.999 120.482 118.700 -0.362 0.000 2.468 593 N HA 0.246 4.986 4.740 -0.001 0.000 0.265 593 N C -2.062 173.352 175.510 -0.161 0.000 1.199 593 N CA -0.844 51.979 53.050 -0.378 0.000 0.928 593 N CB 0.459 38.798 38.487 -0.246 0.000 1.059 593 N HN 0.404 nan 8.380 nan 0.000 0.467 594 P HA 0.010 nan 4.420 nan 0.000 0.245 594 P C 0.512 177.688 177.300 -0.207 0.000 1.203 594 P CA 0.603 63.574 63.100 -0.215 0.000 0.792 594 P CB 0.322 31.860 31.700 -0.269 0.000 0.997 595 T N 0.847 115.362 114.554 -0.065 0.000 2.788 595 T HA -0.129 4.221 4.350 -0.001 0.000 0.268 595 T C 1.708 176.486 174.700 0.129 0.000 1.044 595 T CA 1.004 63.131 62.100 0.045 0.000 1.139 595 T CB -0.723 68.200 68.868 0.090 0.000 0.867 595 T HN 0.032 nan 8.240 nan 0.000 0.454 596 L N 0.873 122.183 121.223 0.144 0.000 2.093 596 L HA -0.034 4.305 4.340 -0.001 0.000 0.208 596 L C 2.498 179.440 176.870 0.119 0.000 1.085 596 L CA 1.611 56.594 54.840 0.240 0.000 0.755 596 L CB -0.928 41.261 42.059 0.216 0.000 0.904 596 L HN 0.153 nan 8.230 nan 0.000 0.435 597 T N -0.277 114.212 114.554 -0.109 0.000 2.708 597 T HA -0.160 4.189 4.350 -0.001 0.000 0.266 597 T C 1.916 176.524 174.700 -0.155 0.000 1.037 597 T CA 1.351 63.291 62.100 -0.267 0.000 1.146 597 T CB -0.501 67.754 68.868 -1.020 0.000 0.865 597 T HN 0.517 nan 8.240 nan 0.000 0.435 598 A N 1.401 124.132 122.820 -0.147 0.000 1.940 598 A HA -0.109 4.210 4.320 -0.001 0.000 0.219 598 A C 2.303 179.852 177.584 -0.058 0.000 1.176 598 A CA 1.912 53.907 52.037 -0.070 0.000 0.631 598 A CB -0.743 18.236 19.000 -0.036 0.000 0.814 598 A HN 0.541 nan 8.150 nan 0.000 0.446 599 M N -0.470 119.101 119.600 -0.048 0.000 2.132 599 M HA -0.131 4.348 4.480 -0.001 0.000 0.263 599 M C 2.133 178.340 176.300 -0.155 0.000 1.065 599 M CA 2.010 57.253 55.300 -0.094 0.000 1.122 599 M CB -0.130 32.414 32.600 -0.095 0.000 1.365 599 M HN 0.376 nan 8.290 nan 0.000 0.411 600 S N 1.069 116.679 115.700 -0.151 0.000 2.368 600 S HA -0.117 4.353 4.470 -0.001 0.000 0.225 600 S C 1.747 176.153 174.600 -0.323 0.000 1.030 600 S CA 1.305 59.348 58.200 -0.260 0.000 0.999 600 S CB -0.464 62.537 63.200 -0.332 0.000 0.844 600 S HN 0.504 nan 8.310 nan 0.000 0.459 601 L N 0.957 122.032 121.223 -0.246 0.000 2.093 601 L HA -0.104 4.236 4.340 -0.001 0.000 0.208 601 L C 2.764 179.501 176.870 -0.221 0.000 1.085 601 L CA 1.125 55.822 54.840 -0.238 0.000 0.755 601 L CB -0.663 41.327 42.059 -0.115 0.000 0.904 601 L HN 0.323 nan 8.230 nan 0.000 0.435 602 A N 0.277 122.965 122.820 -0.220 0.000 1.933 602 A HA -0.163 4.156 4.320 -0.001 0.000 0.218 602 A C 2.196 179.462 177.584 -0.530 0.000 1.175 602 A CA 1.371 53.170 52.037 -0.398 0.000 0.628 602 A CB -0.591 18.178 19.000 -0.385 0.000 0.814 602 A HN 0.348 nan 8.150 nan 0.000 0.444 603 I N -0.484 119.866 120.570 -0.367 0.000 2.226 603 I HA -0.270 3.899 4.170 -0.001 0.000 0.245 603 I C 2.506 178.451 176.117 -0.287 0.000 1.100 603 I CA 1.892 63.004 61.300 -0.313 0.000 1.374 603 I CB -0.204 37.635 38.000 -0.270 0.000 1.057 603 I HN 0.381 nan 8.210 nan 0.000 0.413 604 K N 0.519 120.748 120.400 -0.284 0.000 2.097 604 K HA -0.215 4.105 4.320 -0.001 0.000 0.206 604 K C 2.325 178.827 176.600 -0.163 0.000 1.049 604 K CA 1.753 57.902 56.287 -0.229 0.000 0.933 604 K CB -0.128 32.204 32.500 -0.280 0.000 0.717 604 K HN 0.130 nan 8.250 nan 0.000 0.442 605 S N -0.161 115.423 115.700 -0.193 0.000 2.368 605 S HA -0.159 4.310 4.470 -0.001 0.000 0.225 605 S C 2.000 176.485 174.600 -0.192 0.000 1.030 605 S CA 1.421 59.543 58.200 -0.129 0.000 0.999 605 S CB -0.487 62.677 63.200 -0.060 0.000 0.844 605 S HN 0.585 nan 8.310 nan 0.000 0.459 606 C N 1.441 120.546 119.300 -0.326 0.000 2.435 606 C HA 0.045 4.505 4.460 -0.001 0.000 0.279 606 C C 2.505 177.402 174.990 -0.156 0.000 1.321 606 C CA 0.587 59.428 59.018 -0.295 0.000 1.752 606 C CB -1.419 26.108 27.740 -0.356 0.000 1.959 606 C HN 0.677 nan 8.230 nan 0.000 0.500 607 E N -0.604 119.530 120.200 -0.110 0.000 2.106 607 E HA -0.232 4.118 4.350 -0.001 0.000 0.192 607 E C 1.815 178.419 176.600 0.007 0.000 0.984 607 E CA 1.322 57.692 56.400 -0.051 0.000 0.806 607 E CB -0.260 29.406 29.700 -0.056 0.000 0.750 607 E HN 0.827 nan 8.360 nan 0.000 0.458 608 Y N 1.200 121.459 120.300 -0.068 0.000 2.163 608 Y HA -0.190 4.359 4.550 -0.001 0.000 0.288 608 Y C 1.941 177.862 175.900 0.036 0.000 1.136 608 Y CA 1.428 59.532 58.100 0.006 0.000 1.147 608 Y CB -0.101 38.396 38.460 0.062 0.000 0.987 608 Y HN -0.063 nan 8.280 nan 0.000 0.509 609 I N 0.363 120.981 120.570 0.080 0.000 2.208 609 I HA -0.341 3.828 4.170 -0.001 0.000 0.245 609 I C 2.309 178.467 176.117 0.067 0.000 1.097 609 I CA 1.659 62.984 61.300 0.042 0.000 1.363 609 I CB -0.416 37.391 38.000 -0.323 0.000 1.051 609 I HN 0.186 nan 8.210 nan 0.000 0.413 610 K N 0.416 120.813 120.400 -0.006 0.000 2.147 610 K HA -0.201 4.118 4.320 -0.001 0.000 0.205 610 K C 1.928 178.576 176.600 0.080 0.000 1.049 610 K CA 1.233 57.587 56.287 0.110 0.000 0.936 610 K CB -0.124 32.420 32.500 0.072 0.000 0.722 610 K HN 0.480 nan 8.250 nan 0.000 0.446 611 Q N -0.281 119.493 119.800 -0.044 0.000 2.451 611 Q HA 0.051 4.391 4.340 -0.001 0.000 0.206 611 Q C 0.853 176.736 176.000 -0.194 0.000 0.947 611 Q CA 0.429 56.165 55.803 -0.112 0.000 0.937 611 Q CB 0.389 29.034 28.738 -0.154 0.000 1.025 611 Q HN 0.290 nan 8.270 nan 0.000 0.511 612 N N -0.901 117.664 118.700 -0.225 0.000 2.143 612 N HA 0.162 4.901 4.740 -0.001 0.000 0.222 612 N C -0.951 174.151 175.510 -0.681 0.000 1.264 612 N CA 0.242 53.011 53.050 -0.468 0.000 0.897 612 N CB 1.043 39.095 38.487 -0.725 0.000 1.092 612 N HN -0.006 nan 8.380 nan 0.000 0.516 613 F N 0.259 120.240 119.950 0.052 0.000 2.591 613 F HA 0.343 4.869 4.527 -0.001 0.000 0.309 613 F C 0.030 175.968 175.800 0.230 0.000 1.098 613 F CA -0.621 57.469 58.000 0.149 0.000 0.937 613 F CB 1.981 41.084 39.000 0.171 0.000 1.250 613 F HN -0.390 nan 8.300 nan 0.000 0.447 614 T N 3.457 118.199 114.554 0.313 0.000 2.794 614 T HA 0.459 4.808 4.350 -0.001 0.000 0.280 614 T C -2.616 172.112 174.700 0.046 0.000 0.987 614 T CA -1.457 60.717 62.100 0.123 0.000 0.993 614 T CB 1.403 70.303 68.868 0.053 0.000 0.939 614 T HN 0.117 nan 8.240 nan 0.000 0.449 615 P HA 0.156 nan 4.420 nan 0.000 0.268 615 P C -0.133 177.101 177.300 -0.110 0.000 1.205 615 P CA -0.445 62.405 63.100 -0.416 0.000 0.771 615 P CB 0.314 31.594 31.700 -0.700 0.000 0.858 616 S N 3.204 118.894 115.700 -0.017 0.000 2.572 616 S HA 0.269 4.739 4.470 -0.001 0.000 0.279 616 S C -2.142 172.465 174.600 0.012 0.000 1.341 616 S CA -1.015 57.193 58.200 0.012 0.000 1.043 616 S CB -0.841 62.376 63.200 0.029 0.000 0.887 616 S HN 0.262 nan 8.310 nan 0.000 0.516 617 P HA 0.101 nan 4.420 nan 0.000 0.265 617 P C -0.713 176.638 177.300 0.084 0.000 1.187 617 P CA -0.136 62.991 63.100 0.046 0.000 0.766 617 P CB 0.048 31.763 31.700 0.024 0.000 0.820 618 F N 3.529 123.465 119.950 -0.024 0.000 2.421 618 F HA 0.346 4.872 4.527 -0.001 0.000 0.358 618 F C -0.078 175.716 175.800 -0.011 0.000 1.115 618 F CA 0.395 58.386 58.000 -0.014 0.000 1.160 618 F CB 0.373 39.366 39.000 -0.013 0.000 1.123 618 F HN 0.208 nan 8.300 nan 0.000 0.508 619 T N 0.000 114.205 114.554 -0.581 0.000 3.816 619 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 619 T CA 0.000 61.831 62.100 -0.448 0.000 1.349 619 T CB 0.000 68.747 68.868 -0.202 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658