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 2f6c_1_A 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 LNKLAEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE TNPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFMK 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 0.000 176.281 176.300 -0.032 0.000 1.140 43 M CA 0.000 55.291 55.300 -0.014 0.000 0.988 43 M CB 0.000 32.318 32.600 -0.470 0.000 1.302 44 D N 2.596 123.023 120.400 0.046 0.000 2.432 44 D HA 0.372 5.008 4.640 -0.007 0.000 0.258 44 D C 0.351 176.582 176.300 -0.114 0.000 1.146 44 D CA -0.279 53.623 54.000 -0.165 0.000 1.015 44 D CB 1.538 42.052 40.800 -0.477 0.000 1.107 44 D HN 0.596 nan 8.370 nan 0.000 0.529 45 I N -0.287 120.190 120.570 -0.155 0.000 3.968 45 I HA 0.039 4.205 4.170 -0.007 0.000 0.328 45 I C -0.201 175.887 176.117 -0.048 0.000 1.290 45 I CA 0.433 61.702 61.300 -0.053 0.000 1.163 45 I CB 0.082 38.058 38.000 -0.041 0.000 1.024 45 I HN 0.052 nan 8.210 nan 0.000 0.413 46 K N -0.156 120.090 120.400 -0.257 0.000 2.541 46 K HA 0.470 4.785 4.320 -0.007 0.000 0.250 46 K C -1.891 174.411 176.600 -0.497 0.000 0.950 46 K CA -0.369 55.786 56.287 -0.221 0.000 0.805 46 K CB 0.763 33.172 32.500 -0.152 0.000 1.166 46 K HN -0.092 nan 8.250 nan 0.000 0.430 47 Y N 1.188 121.476 120.300 -0.020 0.000 2.602 47 Y HA 0.270 4.816 4.550 -0.007 0.000 0.342 47 Y C 0.757 176.633 175.900 -0.041 0.000 1.029 47 Y CA -0.730 57.354 58.100 -0.027 0.000 1.080 47 Y CB 1.904 40.349 38.460 -0.025 0.000 1.284 47 Y HN 0.600 nan 8.280 nan 0.000 0.485 48 D N 0.169 120.659 120.400 0.150 0.000 2.117 48 D HA 0.005 4.640 4.640 -0.007 0.000 0.198 48 D C -0.324 175.960 176.300 -0.027 0.000 0.982 48 D CA 1.511 55.578 54.000 0.111 0.000 0.828 48 D CB 0.227 41.184 40.800 0.262 0.000 0.967 48 D HN 0.103 nan 8.370 nan 0.000 0.464 49 V N 0.870 120.762 119.914 -0.035 0.000 2.686 49 V HA 0.324 4.440 4.120 -0.007 0.000 0.306 49 V C -0.367 175.632 176.094 -0.158 0.000 1.065 49 V CA -0.839 61.345 62.300 -0.194 0.000 0.894 49 V CB 2.847 34.523 31.823 -0.245 0.000 1.004 49 V HN -0.266 nan 8.190 nan 0.000 0.424 50 V N 5.937 125.715 119.914 -0.227 0.000 2.459 50 V HA 0.569 4.685 4.120 -0.007 0.000 0.295 50 V C -0.361 175.682 176.094 -0.086 0.000 1.029 50 V CA -0.433 61.801 62.300 -0.110 0.000 0.874 50 V CB 1.923 33.756 31.823 0.016 0.000 0.985 50 V HN 0.703 nan 8.190 nan 0.000 0.438 51 I N 4.683 125.226 120.570 -0.046 0.000 2.389 51 I HA 0.410 4.575 4.170 -0.007 0.000 0.288 51 I C -0.547 175.591 176.117 0.034 0.000 0.999 51 I CA -0.799 60.458 61.300 -0.071 0.000 1.129 51 I CB 2.071 40.014 38.000 -0.095 0.000 1.288 51 I HN 0.251 nan 8.210 nan 0.000 0.444 52 V N 5.721 125.640 119.914 0.008 0.000 2.348 52 V HA 0.756 4.872 4.120 -0.007 0.000 0.270 52 V C 0.522 176.620 176.094 0.007 0.000 1.037 52 V CA -0.270 62.057 62.300 0.045 0.000 0.872 52 V CB 0.418 32.240 31.823 -0.001 0.000 1.002 52 V HN 1.064 nan 8.190 nan 0.000 0.464 53 G N 3.959 112.781 108.800 0.036 0.000 3.069 53 G HA2 -0.021 3.934 3.960 -0.007 0.000 0.686 53 G HA3 -0.021 3.934 3.960 -0.007 0.000 0.686 53 G C -0.044 174.871 174.900 0.024 0.000 1.161 53 G CA -0.251 44.861 45.100 0.020 0.000 0.804 53 G HN 1.276 nan 8.290 nan 0.000 0.608 54 S N 1.148 116.867 115.700 0.030 0.000 2.601 54 S HA 0.602 5.068 4.470 -0.007 0.000 0.244 54 S C 1.335 175.946 174.600 0.018 0.000 1.001 54 S CA 0.717 58.942 58.200 0.042 0.000 0.984 54 S CB 0.599 63.837 63.200 0.063 0.000 0.842 54 S HN 1.960 nan 8.310 nan 0.000 0.474 55 G N 2.773 111.573 108.800 -0.001 0.000 2.631 55 G HA2 0.350 4.306 3.960 -0.007 0.000 0.271 55 G HA3 0.350 4.306 3.960 -0.007 0.000 0.271 55 G C -1.120 173.755 174.900 -0.041 0.000 1.302 55 G CA -1.133 43.946 45.100 -0.035 0.000 1.002 55 G HN 0.260 nan 8.290 nan 0.000 0.519 56 P HA -0.064 nan 4.420 nan 0.000 0.220 56 P C 1.706 178.956 177.300 -0.083 0.000 1.148 56 P CA 0.761 63.814 63.100 -0.079 0.000 0.803 56 P CB 0.175 31.846 31.700 -0.049 0.000 0.782 57 I N -0.059 120.493 120.570 -0.030 0.000 2.277 57 I HA -0.018 4.147 4.170 -0.007 0.000 0.243 57 I C 2.696 178.877 176.117 0.107 0.000 1.094 57 I CA 1.478 62.794 61.300 0.027 0.000 1.393 57 I CB -2.280 35.760 38.000 0.067 0.000 1.078 57 I HN -0.006 nan 8.210 nan 0.000 0.417 58 G N 0.665 109.504 108.800 0.065 0.000 2.469 58 G HA2 -0.264 3.691 3.960 -0.007 0.000 0.219 58 G HA3 -0.264 3.691 3.960 -0.007 0.000 0.219 58 G C 1.743 176.652 174.900 0.015 0.000 1.150 58 G CA 1.184 46.312 45.100 0.047 0.000 0.763 58 G HN 0.420 nan 8.290 nan 0.000 0.561 59 C N 0.567 119.850 119.300 -0.028 0.000 2.432 59 C HA 0.050 4.506 4.460 -0.007 0.000 0.282 59 C C 3.163 178.041 174.990 -0.188 0.000 1.388 59 C CA 1.274 60.238 59.018 -0.091 0.000 1.777 59 C CB -1.007 26.722 27.740 -0.019 0.000 1.882 59 C HN 0.454 nan 8.230 nan 0.000 0.520 60 T N 0.041 114.505 114.554 -0.150 0.000 2.708 60 T HA -0.160 4.186 4.350 -0.007 0.000 0.266 60 T C 1.472 176.027 174.700 -0.241 0.000 1.037 60 T CA 1.607 63.582 62.100 -0.208 0.000 1.146 60 T CB -0.394 68.371 68.868 -0.171 0.000 0.865 60 T HN 0.566 nan 8.240 nan 0.000 0.435 61 Y N 1.405 121.572 120.300 -0.221 0.000 2.181 61 Y HA -0.034 4.511 4.550 -0.008 0.000 0.288 61 Y C 2.726 178.420 175.900 -0.344 0.000 1.146 61 Y CA 0.910 58.862 58.100 -0.247 0.000 1.164 61 Y CB -0.580 37.752 38.460 -0.213 0.000 0.982 61 Y HN 0.197 nan 8.280 nan 0.000 0.515 62 A N 0.122 122.763 122.820 -0.297 0.000 1.902 62 A HA -0.213 4.103 4.320 -0.007 0.000 0.217 62 A C 2.288 179.298 177.584 -0.955 0.000 1.181 62 A CA 1.708 53.316 52.037 -0.715 0.000 0.623 62 A CB -0.704 17.634 19.000 -1.102 0.000 0.818 62 A HN 0.418 nan 8.150 nan 0.000 0.443 63 R N -0.349 119.683 120.500 -0.780 0.000 2.083 63 R HA -0.162 4.174 4.340 -0.007 0.000 0.237 63 R C 1.995 178.093 176.300 -0.337 0.000 1.137 63 R CA 1.757 57.534 56.100 -0.539 0.000 0.951 63 R CB -0.249 29.738 30.300 -0.521 0.000 0.851 63 R HN 0.569 nan 8.270 nan 0.000 0.434 64 E N 0.441 120.478 120.200 -0.271 0.000 2.047 64 E HA -0.167 4.179 4.350 -0.007 0.000 0.191 64 E C 2.144 178.692 176.600 -0.087 0.000 0.987 64 E CA 1.230 57.549 56.400 -0.135 0.000 0.799 64 E CB -0.079 29.535 29.700 -0.143 0.000 0.752 64 E HN 0.417 nan 8.360 nan 0.000 0.449 65 L N 0.379 121.525 121.223 -0.128 0.000 2.162 65 L HA -0.057 4.278 4.340 -0.007 0.000 0.205 65 L C 2.545 179.477 176.870 0.103 0.000 1.086 65 L CA 0.287 55.121 54.840 -0.010 0.000 0.778 65 L CB -0.294 41.649 42.059 -0.194 0.000 0.928 65 L HN -0.052 nan 8.230 nan 0.000 0.446 66 V N 0.610 120.476 119.914 -0.080 0.000 2.343 66 V HA -0.192 3.923 4.120 -0.007 0.000 0.247 66 V C 2.636 178.757 176.094 0.045 0.000 1.051 66 V CA 2.061 64.353 62.300 -0.014 0.000 1.036 66 V CB -1.226 30.495 31.823 -0.169 0.000 0.654 66 V HN 0.560 nan 8.190 nan 0.000 0.451 67 G N -0.505 108.294 108.800 -0.001 0.000 2.448 67 G HA2 -0.124 3.832 3.960 -0.007 0.000 0.219 67 G HA3 -0.124 3.832 3.960 -0.007 0.000 0.219 67 G C 1.486 176.408 174.900 0.037 0.000 1.127 67 G CA 0.832 45.947 45.100 0.024 0.000 0.766 67 G HN 0.632 nan 8.290 nan 0.000 0.552 68 A N -0.519 122.344 122.820 0.071 0.000 2.251 68 A HA 0.488 4.803 4.320 -0.007 0.000 0.209 68 A C 1.896 179.458 177.584 -0.036 0.000 1.187 68 A CA 1.231 53.305 52.037 0.062 0.000 0.823 68 A CB -0.325 18.776 19.000 0.169 0.000 0.846 68 A HN 1.537 nan 8.150 nan 0.000 0.486 69 G N -2.278 106.528 108.800 0.011 0.000 2.144 69 G HA2 -0.253 3.703 3.960 -0.007 0.000 0.218 69 G HA3 -0.253 3.703 3.960 -0.007 0.000 0.218 69 G C -0.050 174.809 174.900 -0.068 0.000 0.988 69 G CA 0.013 45.095 45.100 -0.030 0.000 0.659 69 G HN 0.395 nan 8.290 nan 0.000 0.522 70 Y N 0.532 120.860 120.300 0.047 0.000 2.397 70 Y HA 0.402 4.948 4.550 -0.007 0.000 0.335 70 Y C 1.153 177.095 175.900 0.070 0.000 1.213 70 Y CA 0.259 58.386 58.100 0.045 0.000 1.391 70 Y CB 0.707 39.173 38.460 0.010 0.000 1.293 70 Y HN 0.075 nan 8.280 nan 0.000 0.557 71 K N 2.899 123.436 120.400 0.229 0.000 2.292 71 K HA 0.397 4.713 4.320 -0.007 0.000 0.290 71 K C -1.571 175.169 176.600 0.234 0.000 1.083 71 K CA -0.160 56.241 56.287 0.190 0.000 0.918 71 K CB 0.079 32.648 32.500 0.115 0.000 1.089 71 K HN 0.487 nan 8.250 nan 0.000 0.473 72 V N 3.212 123.242 119.914 0.194 0.000 2.513 72 V HA 0.583 4.699 4.120 -0.007 0.000 0.299 72 V C -0.299 175.696 176.094 -0.164 0.000 1.035 72 V CA -0.931 61.420 62.300 0.084 0.000 0.889 72 V CB 1.459 33.383 31.823 0.169 0.000 0.988 72 V HN 0.886 nan 8.190 nan 0.000 0.440 73 A N 5.703 128.263 122.820 -0.433 0.000 2.350 73 A HA 0.941 5.256 4.320 -0.007 0.000 0.324 73 A C -0.656 176.585 177.584 -0.572 0.000 1.118 73 A CA -0.622 50.927 52.037 -0.814 0.000 0.783 73 A CB 1.568 19.702 19.000 -1.442 0.000 1.236 73 A HN 0.923 nan 8.150 nan 0.000 0.457 74 M N 2.354 121.532 119.600 -0.703 0.000 2.395 74 M HA 0.745 5.220 4.480 -0.007 0.000 0.307 74 M C -2.190 173.803 176.300 -0.512 0.000 1.091 74 M CA -0.425 54.654 55.300 -0.370 0.000 0.919 74 M CB 1.209 33.796 32.600 -0.021 0.000 1.662 74 M HN 0.587 nan 8.290 nan 0.000 0.440 75 F N 2.297 122.244 119.950 -0.006 0.000 2.495 75 F HA 0.560 5.082 4.527 -0.008 0.000 0.327 75 F C -0.149 175.652 175.800 0.001 0.000 1.103 75 F CA -0.491 57.526 58.000 0.029 0.000 0.949 75 F CB 1.497 40.500 39.000 0.005 0.000 1.142 75 F HN 0.467 nan 8.300 nan 0.000 0.457 76 D N 2.849 123.347 120.400 0.165 0.000 2.879 76 D HA 0.241 4.877 4.640 -0.007 0.000 0.236 76 D C 0.578 176.905 176.300 0.044 0.000 1.171 76 D CA -0.336 53.709 54.000 0.075 0.000 0.868 76 D CB 2.500 43.327 40.800 0.044 0.000 1.598 76 D HN 0.642 nan 8.370 nan 0.000 0.497 77 I N 1.916 122.461 120.570 -0.041 0.000 2.493 77 I HA 0.001 4.166 4.170 -0.007 0.000 0.254 77 I C 1.156 177.226 176.117 -0.078 0.000 1.160 77 I CA 0.793 62.015 61.300 -0.130 0.000 1.445 77 I CB 0.160 37.954 38.000 -0.343 0.000 1.086 77 I HN 0.326 nan 8.210 nan 0.000 0.433 78 G N 0.059 108.839 108.800 -0.035 0.000 2.557 78 G HA2 0.368 4.324 3.960 -0.007 0.000 0.292 78 G HA3 0.368 4.324 3.960 -0.007 0.000 0.292 78 G C -0.795 174.126 174.900 0.036 0.000 1.237 78 G CA -0.411 44.697 45.100 0.014 0.000 0.978 78 G HN 0.309 nan 8.290 nan 0.000 0.498 79 E N -1.356 118.873 120.200 0.047 0.000 2.299 79 E HA 0.369 4.714 4.350 -0.007 0.000 0.260 79 E C -0.465 176.164 176.600 0.048 0.000 0.944 79 E CA -0.788 55.641 56.400 0.048 0.000 0.815 79 E CB 2.436 32.168 29.700 0.053 0.000 1.252 79 E HN 0.277 nan 8.360 nan 0.000 0.418 80 I N 2.195 122.791 120.570 0.043 0.000 2.505 80 I HA -0.049 4.117 4.170 -0.007 0.000 0.287 80 I C 0.305 176.455 176.117 0.054 0.000 1.104 80 I CA 0.486 61.813 61.300 0.044 0.000 1.387 80 I CB 0.226 38.245 38.000 0.033 0.000 1.404 80 I HN 0.521 nan 8.210 nan 0.000 0.528 81 D N 2.303 122.742 120.400 0.064 0.000 3.032 81 D HA 0.007 4.643 4.640 -0.007 0.000 0.280 81 D C 1.583 177.939 176.300 0.093 0.000 1.381 81 D CA 0.707 54.755 54.000 0.079 0.000 1.068 81 D CB 0.147 40.998 40.800 0.085 0.000 1.148 81 D HN 0.351 nan 8.370 nan 0.000 0.401 82 S N 0.648 116.411 115.700 0.104 0.000 2.872 82 S HA 0.349 4.815 4.470 -0.007 0.000 0.240 82 S C 1.002 175.678 174.600 0.126 0.000 0.983 82 S CA 0.608 58.888 58.200 0.133 0.000 1.012 82 S CB -0.830 62.452 63.200 0.138 0.000 0.797 82 S HN 0.582 nan 8.310 nan 0.000 0.540 83 G N 0.762 109.622 108.800 0.100 0.000 2.582 83 G HA2 -0.190 3.765 3.960 -0.007 0.000 0.222 83 G HA3 -0.190 3.765 3.960 -0.007 0.000 0.222 83 G C 0.200 175.136 174.900 0.061 0.000 1.311 83 G CA -0.388 44.762 45.100 0.084 0.000 0.915 83 G HN 0.271 nan 8.290 nan 0.000 0.528 84 L N 0.152 121.404 121.223 0.048 0.000 2.313 84 L HA 0.130 4.466 4.340 -0.007 0.000 0.214 84 L C 1.510 178.393 176.870 0.021 0.000 1.119 84 L CA 0.836 55.693 54.840 0.029 0.000 0.809 84 L CB -0.333 41.738 42.059 0.020 0.000 0.933 84 L HN 0.318 nan 8.230 nan 0.000 0.449 85 K N 1.992 122.413 120.400 0.036 0.000 2.262 85 K HA 0.281 4.597 4.320 -0.007 0.000 0.288 85 K C -0.245 176.378 176.600 0.037 0.000 1.090 85 K CA -0.120 56.185 56.287 0.030 0.000 0.918 85 K CB 0.527 33.059 32.500 0.053 0.000 1.139 85 K HN 0.121 nan 8.250 nan 0.000 0.462 86 I N 1.892 122.468 120.570 0.010 0.000 2.598 86 I HA -0.044 4.122 4.170 -0.007 0.000 0.284 86 I C 1.349 177.485 176.117 0.031 0.000 1.140 86 I CA 0.671 61.982 61.300 0.019 0.000 1.420 86 I CB 0.500 38.501 38.000 0.001 0.000 1.387 86 I HN 0.936 nan 8.210 nan 0.000 0.553 87 G N 4.297 113.128 108.800 0.052 0.000 2.143 87 G HA2 -0.200 3.756 3.960 -0.007 0.000 0.248 87 G HA3 -0.200 3.756 3.960 -0.007 0.000 0.248 87 G C 0.306 175.256 174.900 0.083 0.000 0.991 87 G CA 0.057 45.191 45.100 0.056 0.000 0.689 87 G HN 0.962 nan 8.290 nan 0.000 0.522 88 A N -0.381 122.505 122.820 0.110 0.000 2.272 88 A HA 0.619 4.934 4.320 -0.007 0.000 0.275 88 A C 0.574 178.290 177.584 0.219 0.000 1.096 88 A CA -0.302 51.837 52.037 0.171 0.000 0.822 88 A CB 0.288 19.388 19.000 0.167 0.000 1.088 88 A HN 0.631 nan 8.150 nan 0.000 0.495 89 H N 0.525 119.733 119.070 0.231 0.000 2.848 89 H HA 0.105 4.657 4.556 -0.008 0.000 0.317 89 H C 0.769 176.235 175.328 0.229 0.000 1.046 89 H CA 0.680 56.883 56.048 0.257 0.000 1.470 89 H CB 0.818 30.755 29.762 0.291 0.000 1.483 89 H HN 0.685 nan 8.280 nan 0.000 0.548 90 K N 3.458 124.097 120.400 0.398 0.000 2.283 90 K HA -0.099 4.217 4.320 -0.007 0.000 0.202 90 K C 1.727 178.575 176.600 0.413 0.000 1.048 90 K CA 0.613 57.170 56.287 0.452 0.000 0.948 90 K CB 0.330 33.124 32.500 0.489 0.000 0.742 90 K HN 0.435 nan 8.250 nan 0.000 0.458 91 K N 1.027 121.518 120.400 0.152 0.000 2.504 91 K HA -0.029 4.287 4.320 -0.007 0.000 0.195 91 K C 0.416 177.013 176.600 -0.005 0.000 1.036 91 K CA 0.486 56.487 56.287 -0.475 0.000 0.984 91 K CB 0.186 32.003 32.500 -1.138 0.000 0.788 91 K HN 0.017 nan 8.250 nan 0.000 0.488 92 N N 1.674 120.501 118.700 0.212 0.000 2.410 92 N HA -0.027 4.709 4.740 -0.007 0.000 0.231 92 N C -0.587 175.186 175.510 0.439 0.000 1.172 92 N CA 0.253 53.480 53.050 0.294 0.000 0.849 92 N CB 0.586 39.274 38.487 0.335 0.000 1.116 92 N HN 0.245 nan 8.380 nan 0.000 0.485 93 T N -3.929 110.860 114.554 0.391 0.000 2.928 93 T HA 0.300 4.646 4.350 -0.007 0.000 0.284 93 T C 1.616 176.551 174.700 0.392 0.000 1.008 93 T CA -0.742 61.566 62.100 0.347 0.000 1.057 93 T CB 1.669 70.686 68.868 0.248 0.000 1.018 93 T HN -0.196 nan 8.240 nan 0.000 0.493 94 V N 1.527 121.614 119.914 0.288 0.000 2.332 94 V HA -0.127 3.989 4.120 -0.007 0.000 0.248 94 V C 2.823 179.010 176.094 0.155 0.000 1.055 94 V CA 2.428 64.876 62.300 0.245 0.000 1.038 94 V CB -0.989 30.877 31.823 0.073 0.000 0.651 94 V HN 1.049 nan 8.190 nan 0.000 0.450 95 E N -0.324 119.906 120.200 0.049 0.000 2.077 95 E HA -0.215 4.131 4.350 -0.007 0.000 0.193 95 E C 2.012 178.567 176.600 -0.076 0.000 0.989 95 E CA 1.720 58.081 56.400 -0.065 0.000 0.800 95 E CB -0.475 29.113 29.700 -0.186 0.000 0.746 95 E HN 0.708 nan 8.360 nan 0.000 0.452 96 Y N 0.509 120.874 120.300 0.109 0.000 2.242 96 Y HA -0.124 4.421 4.550 -0.008 0.000 0.291 96 Y C 2.271 178.187 175.900 0.026 0.000 1.137 96 Y CA 1.296 59.444 58.100 0.079 0.000 1.181 96 Y CB 0.114 38.624 38.460 0.085 0.000 0.989 96 Y HN 0.146 nan 8.280 nan 0.000 0.527 97 Q N -0.134 119.775 119.800 0.180 0.000 2.435 97 Q HA -0.093 4.242 4.340 -0.007 0.000 0.207 97 Q C 1.435 177.496 176.000 0.102 0.000 0.956 97 Q CA 0.734 56.601 55.803 0.106 0.000 0.917 97 Q CB 0.060 28.820 28.738 0.037 0.000 0.997 97 Q HN 0.463 nan 8.270 nan 0.000 0.497 98 K N 0.137 120.594 120.400 0.096 0.000 2.361 98 K HA 0.103 4.418 4.320 -0.007 0.000 0.194 98 K C 0.312 176.935 176.600 0.038 0.000 1.032 98 K CA 0.202 56.526 56.287 0.061 0.000 1.048 98 K CB 0.616 33.144 32.500 0.047 0.000 0.842 98 K HN 0.053 nan 8.250 nan 0.000 0.526 99 N N 1.014 119.746 118.700 0.053 0.000 2.672 99 N HA 0.052 4.787 4.740 -0.007 0.000 0.295 99 N C 0.008 175.549 175.510 0.051 0.000 1.924 99 N CA 0.066 53.139 53.050 0.037 0.000 0.851 99 N CB 1.006 39.511 38.487 0.031 0.000 1.281 99 N HN 0.001 nan 8.380 nan 0.000 0.494 100 I N 1.889 122.445 120.570 -0.022 0.000 2.614 100 I HA -0.180 3.985 4.170 -0.007 0.000 0.258 100 I C 1.961 177.847 176.117 -0.384 0.000 1.189 100 I CA 1.365 62.615 61.300 -0.083 0.000 1.462 100 I CB 0.004 37.971 38.000 -0.056 0.000 1.092 100 I HN 0.247 nan 8.210 nan 0.000 0.442 101 D N -0.170 119.881 120.400 -0.581 0.000 2.309 101 D HA -0.224 4.411 4.640 -0.007 0.000 0.212 101 D C 1.432 177.529 176.300 -0.338 0.000 0.968 101 D CA 0.869 54.324 54.000 -0.909 0.000 0.882 101 D CB -0.230 40.305 40.800 -0.443 0.000 0.918 101 D HN 0.258 nan 8.370 nan 0.000 0.503 102 K N -0.319 120.036 120.400 -0.076 0.000 2.323 102 K HA 0.050 4.366 4.320 -0.007 0.000 0.197 102 K C 1.585 178.242 176.600 0.094 0.000 1.043 102 K CA -0.159 56.182 56.287 0.089 0.000 0.997 102 K CB -0.680 31.972 32.500 0.253 0.000 0.807 102 K HN 0.172 nan 8.250 nan 0.000 0.497 103 F N 1.570 121.446 119.950 -0.123 0.000 2.365 103 F HA -0.135 4.389 4.527 -0.006 0.000 0.300 103 F C 2.027 177.745 175.800 -0.136 0.000 1.090 103 F CA 0.392 58.216 58.000 -0.293 0.000 1.408 103 F CB -0.139 38.665 39.000 -0.326 0.000 1.060 103 F HN -0.211 nan 8.300 nan 0.000 0.534 104 V N 0.910 120.794 119.914 -0.050 0.000 2.453 104 V HA -0.353 3.762 4.120 -0.007 0.000 0.252 104 V C 2.112 178.106 176.094 -0.167 0.000 1.068 104 V CA 2.617 64.875 62.300 -0.069 0.000 1.070 104 V CB -0.504 31.280 31.823 -0.064 0.000 0.664 104 V HN 0.424 nan 8.190 nan 0.000 0.461 105 N N -0.164 118.432 118.700 -0.174 0.000 2.171 105 N HA -0.098 4.638 4.740 -0.007 0.000 0.184 105 N C 1.778 177.154 175.510 -0.223 0.000 1.021 105 N CA 1.695 54.658 53.050 -0.146 0.000 0.854 105 N CB -0.334 38.114 38.487 -0.066 0.000 0.994 105 N HN 0.466 nan 8.380 nan 0.000 0.426 106 V N 2.416 122.080 119.914 -0.416 0.000 2.287 106 V HA -0.221 3.894 4.120 -0.007 0.000 0.248 106 V C 2.386 178.185 176.094 -0.491 0.000 1.053 106 V CA 1.359 63.342 62.300 -0.530 0.000 1.027 106 V CB -0.525 30.692 31.823 -1.009 0.000 0.646 106 V HN 0.184 nan 8.190 nan 0.000 0.447 107 I N -0.134 120.073 120.570 -0.605 0.000 2.091 107 I HA -0.368 3.797 4.170 -0.007 0.000 0.239 107 I C 2.736 178.698 176.117 -0.258 0.000 1.061 107 I CA 1.993 63.016 61.300 -0.463 0.000 1.317 107 I CB -0.549 37.301 38.000 -0.250 0.000 1.031 107 I HN 0.362 nan 8.210 nan 0.000 0.401 108 Q N 0.455 120.194 119.800 -0.102 0.000 2.124 108 Q HA -0.133 4.202 4.340 -0.007 0.000 0.202 108 Q C 2.288 178.255 176.000 -0.054 0.000 0.977 108 Q CA 1.474 57.264 55.803 -0.022 0.000 0.850 108 Q CB -0.484 28.247 28.738 -0.012 0.000 0.901 108 Q HN 0.666 nan 8.270 nan 0.000 0.429 109 G N 1.295 110.044 108.800 -0.084 0.000 2.559 109 G HA2 -0.218 3.738 3.960 -0.007 0.000 0.216 109 G HA3 -0.218 3.738 3.960 -0.007 0.000 0.216 109 G C 0.965 175.847 174.900 -0.031 0.000 1.126 109 G CA 0.571 45.641 45.100 -0.050 0.000 0.778 109 G HN 0.482 nan 8.290 nan 0.000 0.543 110 Q N -0.624 119.144 119.800 -0.054 0.000 2.110 110 Q HA 0.404 4.740 4.340 -0.007 0.000 0.232 110 Q C -0.315 175.689 176.000 0.007 0.000 0.810 110 Q CA -0.290 55.514 55.803 0.001 0.000 1.083 110 Q CB 0.143 28.906 28.738 0.041 0.000 1.193 110 Q HN 0.242 nan 8.270 nan 0.000 0.471 111 L N 2.066 123.276 121.223 -0.023 0.000 2.283 111 L HA 0.505 4.841 4.340 -0.007 0.000 0.281 111 L C -0.927 175.962 176.870 0.032 0.000 1.033 111 L CA -0.771 54.069 54.840 0.001 0.000 0.848 111 L CB 1.110 43.141 42.059 -0.046 0.000 1.226 111 L HN 0.200 nan 8.230 nan 0.000 0.429 112 M N 2.059 121.698 119.600 0.065 0.000 2.129 112 M HA 0.267 4.742 4.480 -0.007 0.000 0.348 112 M C 0.277 176.622 176.300 0.076 0.000 1.116 112 M CA -0.046 55.298 55.300 0.075 0.000 1.022 112 M CB 1.506 34.171 32.600 0.107 0.000 1.599 112 M HN 0.295 nan 8.290 nan 0.000 0.449 113 S N 1.835 117.569 115.700 0.057 0.000 2.552 113 S HA 0.116 4.581 4.470 -0.007 0.000 0.289 113 S C 1.464 176.103 174.600 0.065 0.000 1.304 113 S CA -0.617 57.615 58.200 0.054 0.000 1.063 113 S CB 0.632 63.854 63.200 0.037 0.000 0.848 113 S HN 0.583 nan 8.310 nan 0.000 0.499 114 V N 2.295 122.257 119.914 0.081 0.000 2.346 114 V HA 0.029 4.144 4.120 -0.007 0.000 0.244 114 V C 1.163 177.257 176.094 -0.001 0.000 1.037 114 V CA 1.352 63.687 62.300 0.058 0.000 1.029 114 V CB 0.160 32.052 31.823 0.115 0.000 0.663 114 V HN 0.793 nan 8.190 nan 0.000 0.454 115 S N -0.403 115.321 115.700 0.039 0.000 2.776 115 S HA 0.515 4.980 4.470 -0.007 0.000 0.284 115 S C -1.118 173.491 174.600 0.015 0.000 1.160 115 S CA -0.460 57.729 58.200 -0.019 0.000 1.051 115 S CB 1.422 64.572 63.200 -0.083 0.000 1.037 115 S HN 0.002 nan 8.310 nan 0.000 0.485 116 V N 7.833 127.743 119.914 -0.007 0.000 2.370 116 V HA 0.563 4.679 4.120 -0.007 0.000 0.283 116 V C -1.936 174.147 176.094 -0.018 0.000 1.023 116 V CA -1.769 60.527 62.300 -0.006 0.000 0.857 116 V CB 1.419 33.238 31.823 -0.007 0.000 0.985 116 V HN 0.698 nan 8.190 nan 0.000 0.443 117 P HA 0.209 nan 4.420 nan 0.000 0.276 117 P C -0.233 177.048 177.300 -0.031 0.000 1.261 117 P CA -0.263 62.825 63.100 -0.020 0.000 0.800 117 P CB 0.888 32.579 31.700 -0.015 0.000 1.066 118 V N 2.097 121.996 119.914 -0.025 0.000 2.557 118 V HA -0.060 4.056 4.120 -0.007 0.000 0.301 118 V C 1.327 177.376 176.094 -0.074 0.000 1.026 118 V CA 0.239 62.519 62.300 -0.034 0.000 1.137 118 V CB -0.957 30.869 31.823 0.004 0.000 0.917 118 V HN 0.614 nan 8.190 nan 0.000 0.484 119 N N 3.841 122.481 118.700 -0.099 0.000 2.497 119 N HA 0.062 4.797 4.740 -0.007 0.000 0.268 119 N C 0.731 176.067 175.510 -0.290 0.000 1.171 119 N CA 0.526 53.487 53.050 -0.147 0.000 0.948 119 N CB 1.492 39.912 38.487 -0.112 0.000 1.069 119 N HN 0.875 nan 8.380 nan 0.000 0.460 120 T N 0.645 114.944 114.554 -0.424 0.000 3.145 120 T HA 0.245 4.590 4.350 -0.007 0.000 0.281 120 T C 0.914 175.107 174.700 -0.845 0.000 1.003 120 T CA -0.429 61.118 62.100 -0.921 0.000 0.901 120 T CB -0.220 68.268 68.868 -0.632 0.000 1.112 120 T HN 0.294 nan 8.240 nan 0.000 0.535 121 L N 2.304 123.276 121.223 -0.420 0.000 2.499 121 L HA 0.250 4.586 4.340 -0.007 0.000 0.273 121 L C 0.085 176.897 176.870 -0.097 0.000 1.195 121 L CA -0.454 54.261 54.840 -0.208 0.000 0.882 121 L CB 0.515 42.516 42.059 -0.096 0.000 1.133 121 L HN 0.077 nan 8.230 nan 0.000 0.483 122 V N 5.168 125.087 119.914 0.009 0.000 2.385 122 V HA 0.136 4.251 4.120 -0.007 0.000 0.269 122 V C 0.278 176.440 176.094 0.114 0.000 1.043 122 V CA -0.380 62.027 62.300 0.179 0.000 0.906 122 V CB 1.547 33.473 31.823 0.172 0.000 0.995 122 V HN 0.433 nan 8.190 nan 0.000 0.467 123 V N 5.582 125.576 119.914 0.134 0.000 2.275 123 V HA 0.304 4.419 4.120 -0.007 0.000 0.272 123 V C 0.337 176.473 176.094 0.070 0.000 1.028 123 V CA -0.439 61.912 62.300 0.084 0.000 0.810 123 V CB 1.188 33.060 31.823 0.083 0.000 1.043 123 V HN 1.054 nan 8.190 nan 0.000 0.453 124 D N 1.905 122.335 120.400 0.051 0.000 2.440 124 D HA -0.022 4.614 4.640 -0.007 0.000 0.216 124 D C 1.286 177.599 176.300 0.022 0.000 1.150 124 D CA 0.320 54.340 54.000 0.032 0.000 0.832 124 D CB 0.338 41.156 40.800 0.029 0.000 0.992 124 D HN 0.536 nan 8.370 nan 0.000 0.502 125 T N -1.588 112.982 114.554 0.026 0.000 3.223 125 T HA 0.308 4.654 4.350 -0.007 0.000 0.259 125 T C 0.745 175.459 174.700 0.024 0.000 1.015 125 T CA -0.572 61.540 62.100 0.021 0.000 0.908 125 T CB -0.421 68.459 68.868 0.020 0.000 1.054 125 T HN 0.033 nan 8.240 nan 0.000 0.567 126 L N 1.989 123.228 121.223 0.027 0.000 2.467 126 L HA 0.306 4.642 4.340 -0.007 0.000 0.270 126 L C 1.123 178.006 176.870 0.022 0.000 1.205 126 L CA -0.597 54.262 54.840 0.031 0.000 0.828 126 L CB 0.485 42.567 42.059 0.039 0.000 1.101 126 L HN 0.239 nan 8.230 nan 0.000 0.479 127 S N 2.176 117.891 115.700 0.026 0.000 2.558 127 S HA 0.081 4.547 4.470 -0.007 0.000 0.288 127 S C -1.434 173.174 174.600 0.013 0.000 1.318 127 S CA -0.971 57.241 58.200 0.020 0.000 1.056 127 S CB 0.769 63.984 63.200 0.025 0.000 0.853 127 S HN 0.407 nan 8.310 nan 0.000 0.505 128 P HA -0.091 nan 4.420 nan 0.000 0.220 128 P C 1.353 178.653 177.300 0.000 0.000 1.144 128 P CA 1.431 64.527 63.100 -0.006 0.000 0.800 128 P CB -0.171 31.526 31.700 -0.006 0.000 0.772 129 T N -5.808 108.755 114.554 0.016 0.000 3.043 129 T HA 0.082 4.428 4.350 -0.007 0.000 0.263 129 T C 1.048 175.780 174.700 0.053 0.000 1.094 129 T CA 0.101 62.219 62.100 0.029 0.000 1.127 129 T CB -0.600 68.287 68.868 0.033 0.000 0.905 129 T HN -0.106 nan 8.240 nan 0.000 0.490 130 S N 1.572 117.307 115.700 0.057 0.000 2.549 130 S HA 0.261 4.727 4.470 -0.007 0.000 0.279 130 S C -0.505 174.171 174.600 0.127 0.000 1.321 130 S CA -0.969 57.292 58.200 0.103 0.000 1.054 130 S CB 0.044 63.300 63.200 0.093 0.000 0.899 130 S HN 0.592 nan 8.310 nan 0.000 0.497 131 W N 3.413 124.723 121.300 0.018 0.000 2.264 131 W HA 0.198 4.852 4.660 -0.010 0.000 0.331 131 W C 0.228 176.765 176.519 0.030 0.000 1.364 131 W CA 0.241 57.596 57.345 0.016 0.000 1.253 131 W CB 0.234 29.702 29.460 0.014 0.000 1.215 131 W HN 0.528 nan 8.180 nan 0.000 0.561 132 Q N 5.008 124.366 119.800 -0.737 0.000 2.305 132 Q HA 0.550 4.885 4.340 -0.007 0.000 0.271 132 Q C -0.619 174.771 176.000 -1.017 0.000 1.046 132 Q CA -0.875 54.591 55.803 -0.560 0.000 0.798 132 Q CB 1.761 30.317 28.738 -0.304 0.000 1.286 132 Q HN 0.637 nan 8.270 nan 0.000 0.435 133 A N 2.211 124.704 122.820 -0.547 0.000 2.531 133 A HA 0.163 4.478 4.320 -0.007 0.000 0.236 133 A C 0.525 177.927 177.584 -0.303 0.000 1.062 133 A CA 0.261 52.125 52.037 -0.288 0.000 0.760 133 A CB 0.501 19.666 19.000 0.275 0.000 0.995 133 A HN 0.860 nan 8.150 nan 0.000 0.501 134 S N -0.410 115.147 115.700 -0.238 0.000 2.517 134 S HA 0.139 4.605 4.470 -0.007 0.000 0.214 134 S C 0.826 175.310 174.600 -0.193 0.000 0.991 134 S CA 0.777 58.853 58.200 -0.207 0.000 0.906 134 S CB -0.089 63.016 63.200 -0.159 0.000 0.789 134 S HN 1.138 nan 8.310 nan 0.000 0.513 135 T N -1.497 112.975 114.554 -0.137 0.000 2.841 135 T HA 0.629 4.975 4.350 -0.007 0.000 0.296 135 T C -1.042 173.579 174.700 -0.131 0.000 1.166 135 T CA -0.715 61.300 62.100 -0.142 0.000 1.007 135 T CB 0.681 69.571 68.868 0.038 0.000 1.253 135 T HN -0.111 nan 8.240 nan 0.000 0.511 136 F N 2.936 122.973 119.950 0.145 0.000 2.605 136 F HA 0.401 4.925 4.527 -0.005 0.000 0.352 136 F C 0.359 176.212 175.800 0.089 0.000 1.236 136 F CA -2.037 56.007 58.000 0.074 0.000 1.267 136 F CB -0.946 38.066 39.000 0.019 0.000 1.632 136 F HN 0.559 nan 8.300 nan 0.000 0.639 137 F N -0.789 119.271 119.950 0.183 0.000 2.378 137 F HA 0.603 5.127 4.527 -0.005 0.000 0.319 137 F C -0.003 175.875 175.800 0.129 0.000 1.155 137 F CA -1.545 56.536 58.000 0.135 0.000 1.157 137 F CB 0.001 39.070 39.000 0.115 0.000 1.252 137 F HN -0.171 nan 8.300 nan 0.000 0.550 138 V N 2.941 122.974 119.914 0.198 0.000 2.458 138 V HA 0.188 4.304 4.120 -0.007 0.000 0.287 138 V C 0.143 176.243 176.094 0.009 0.000 1.009 138 V CA 0.197 62.540 62.300 0.072 0.000 1.091 138 V CB -0.706 31.188 31.823 0.117 0.000 0.960 138 V HN 0.733 nan 8.190 nan 0.000 0.476 139 R N 3.813 124.229 120.500 -0.140 0.000 2.795 139 R HA 0.476 4.812 4.340 -0.007 0.000 0.275 139 R C 0.111 176.374 176.300 -0.062 0.000 0.981 139 R CA -0.972 55.038 56.100 -0.150 0.000 0.917 139 R CB 1.259 31.357 30.300 -0.337 0.000 1.202 139 R HN 0.690 nan 8.270 nan 0.000 0.469 140 N N 0.821 119.508 118.700 -0.022 0.000 2.727 140 N HA -0.195 4.541 4.740 -0.007 0.000 0.249 140 N C 0.442 175.945 175.510 -0.012 0.000 1.048 140 N CA 1.538 54.579 53.050 -0.014 0.000 0.714 140 N CB -1.170 37.303 38.487 -0.024 0.000 0.959 140 N HN 1.077 nan 8.380 nan 0.000 0.544 141 G N -2.180 106.618 108.800 -0.003 0.000 2.148 141 G HA2 -0.340 3.616 3.960 -0.007 0.000 0.254 141 G HA3 -0.340 3.616 3.960 -0.007 0.000 0.254 141 G C 0.263 175.159 174.900 -0.006 0.000 0.981 141 G CA 0.503 45.602 45.100 -0.001 0.000 0.670 141 G HN 0.579 nan 8.290 nan 0.000 0.528 142 S N -0.054 115.638 115.700 -0.013 0.000 2.573 142 S HA 0.357 4.823 4.470 -0.007 0.000 0.277 142 S C 0.474 175.067 174.600 -0.012 0.000 1.346 142 S CA 0.074 58.263 58.200 -0.018 0.000 1.034 142 S CB 0.952 64.134 63.200 -0.029 0.000 0.879 142 S HN 0.590 nan 8.310 nan 0.000 0.528 143 N N 2.640 121.326 118.700 -0.023 0.000 2.485 143 N HA 0.301 5.036 4.740 -0.007 0.000 0.243 143 N C -1.738 173.760 175.510 -0.021 0.000 0.987 143 N CA -2.314 50.714 53.050 -0.037 0.000 0.940 143 N CB 1.179 39.614 38.487 -0.086 0.000 1.122 143 N HN 0.179 nan 8.380 nan 0.000 0.509 144 P HA -0.048 nan 4.420 nan 0.000 0.230 144 P C 0.285 177.611 177.300 0.045 0.000 1.158 144 P CA 0.808 63.929 63.100 0.035 0.000 0.769 144 P CB 0.551 32.285 31.700 0.058 0.000 0.807 145 E N -0.165 120.047 120.200 0.020 0.000 2.274 145 E HA -0.095 4.251 4.350 -0.007 0.000 0.194 145 E C 0.894 177.516 176.600 0.036 0.000 0.996 145 E CA 0.568 57.002 56.400 0.057 0.000 0.840 145 E CB -0.114 29.556 29.700 -0.049 0.000 0.772 145 E HN 0.299 nan 8.360 nan 0.000 0.491 146 Q N 2.252 122.035 119.800 -0.027 0.000 2.307 146 Q HA 0.021 4.356 4.340 -0.007 0.000 0.259 146 Q C -0.833 175.185 176.000 0.031 0.000 0.998 146 Q CA -0.159 55.629 55.803 -0.025 0.000 0.923 146 Q CB 0.701 29.407 28.738 -0.053 0.000 1.196 146 Q HN -0.189 nan 8.270 nan 0.000 0.416 147 D N 6.086 126.526 120.400 0.065 0.000 2.358 147 D HA 0.044 4.680 4.640 -0.007 0.000 0.258 147 D C -1.700 174.626 176.300 0.043 0.000 1.223 147 D CA -1.840 52.197 54.000 0.061 0.000 0.886 147 D CB 1.250 42.099 40.800 0.081 0.000 1.120 147 D HN 0.431 nan 8.370 nan 0.000 0.482 148 P HA -0.071 nan 4.420 nan 0.000 0.226 148 P C 1.179 178.489 177.300 0.017 0.000 1.153 148 P CA 0.643 63.750 63.100 0.012 0.000 0.777 148 P CB 0.321 32.017 31.700 -0.008 0.000 0.794 149 L N -1.242 119.994 121.223 0.023 0.000 2.607 149 L HA 0.204 4.539 4.340 -0.007 0.000 0.228 149 L C 1.491 178.380 176.870 0.033 0.000 1.123 149 L CA 0.198 55.052 54.840 0.022 0.000 0.890 149 L CB -0.098 41.970 42.059 0.014 0.000 1.103 149 L HN -0.168 nan 8.230 nan 0.000 0.468 150 R N -0.159 120.371 120.500 0.049 0.000 2.734 150 R HA 0.213 4.548 4.340 -0.007 0.000 0.395 150 R C -0.391 175.972 176.300 0.105 0.000 1.096 150 R CA -0.259 55.883 56.100 0.069 0.000 1.071 150 R CB 0.369 30.713 30.300 0.074 0.000 1.348 150 R HN 0.055 nan 8.270 nan 0.000 0.600 151 N N 0.571 119.310 118.700 0.066 0.000 2.483 151 N HA 0.388 5.124 4.740 -0.007 0.000 0.285 151 N C -0.770 174.661 175.510 -0.132 0.000 1.210 151 N CA -0.598 52.475 53.050 0.039 0.000 0.931 151 N CB 1.183 39.690 38.487 0.035 0.000 1.220 151 N HN 0.067 nan 8.380 nan 0.000 0.542 152 L N 1.929 122.913 121.223 -0.398 0.000 2.426 152 L HA 0.233 4.569 4.340 -0.007 0.000 0.255 152 L C 1.391 178.090 176.870 -0.284 0.000 1.080 152 L CA -0.308 54.184 54.840 -0.580 0.000 0.960 152 L CB 0.674 41.994 42.059 -1.231 0.000 1.326 152 L HN 0.640 nan 8.230 nan 0.000 0.441 153 S N -0.035 115.592 115.700 -0.121 0.000 2.423 153 S HA -0.106 4.359 4.470 -0.007 0.000 0.231 153 S C 1.778 176.356 174.600 -0.037 0.000 1.014 153 S CA 0.957 59.133 58.200 -0.040 0.000 0.965 153 S CB -0.141 63.048 63.200 -0.018 0.000 0.785 153 S HN 0.653 nan 8.310 nan 0.000 0.495 154 G N 0.456 109.216 108.800 -0.068 0.000 2.712 154 G HA2 0.072 4.027 3.960 -0.007 0.000 0.212 154 G HA3 0.072 4.027 3.960 -0.007 0.000 0.212 154 G C 0.592 175.457 174.900 -0.058 0.000 1.142 154 G CA -0.271 44.800 45.100 -0.049 0.000 0.789 154 G HN 0.382 nan 8.290 nan 0.000 0.535 155 Q N 0.720 120.463 119.800 -0.094 0.000 2.286 155 Q HA 0.448 4.784 4.340 -0.007 0.000 0.290 155 Q C -0.080 175.945 176.000 0.042 0.000 1.049 155 Q CA 0.317 56.092 55.803 -0.045 0.000 0.923 155 Q CB 1.220 29.912 28.738 -0.077 0.000 1.183 155 Q HN 0.300 nan 8.270 nan 0.000 0.383 156 A N 2.282 125.127 122.820 0.042 0.000 2.566 156 A HA 0.771 5.087 4.320 -0.007 0.000 0.292 156 A C -0.922 176.707 177.584 0.076 0.000 1.112 156 A CA -0.570 51.500 52.037 0.056 0.000 0.707 156 A CB 1.478 20.497 19.000 0.031 0.000 1.302 156 A HN 0.477 nan 8.150 nan 0.000 0.409 157 V N -2.201 117.775 119.914 0.102 0.000 3.001 157 V HA 0.948 5.063 4.120 -0.007 0.000 0.314 157 V C -0.507 175.679 176.094 0.153 0.000 1.099 157 V CA -0.552 61.831 62.300 0.138 0.000 0.989 157 V CB 1.669 33.610 31.823 0.197 0.000 1.040 157 V HN 0.871 nan 8.190 nan 0.000 0.434 158 T N 2.593 117.242 114.554 0.158 0.000 2.847 158 T HA 0.550 4.896 4.350 -0.007 0.000 0.291 158 T C -0.378 174.388 174.700 0.110 0.000 0.998 158 T CA -0.446 61.740 62.100 0.144 0.000 0.967 158 T CB 0.946 69.925 68.868 0.185 0.000 0.954 158 T HN 0.774 nan 8.240 nan 0.000 0.441 159 R N 2.628 123.185 120.500 0.094 0.000 2.423 159 R HA 0.608 4.943 4.340 -0.007 0.000 0.293 159 R C -0.478 175.854 176.300 0.053 0.000 1.196 159 R CA -0.625 55.505 56.100 0.050 0.000 1.262 159 R CB 0.704 31.012 30.300 0.014 0.000 1.116 159 R HN 0.507 nan 8.270 nan 0.000 0.566 160 V N -1.872 118.071 119.914 0.048 0.000 3.147 160 V HA 0.467 4.582 4.120 -0.007 0.000 0.306 160 V C -0.083 176.034 176.094 0.038 0.000 1.209 160 V CA -1.143 61.188 62.300 0.051 0.000 1.023 160 V CB 1.967 33.830 31.823 0.066 0.000 1.059 160 V HN 0.130 nan 8.190 nan 0.000 0.435 161 V N 2.931 122.870 119.914 0.041 0.000 2.599 161 V HA 0.515 4.631 4.120 -0.007 0.000 0.300 161 V C 1.720 177.833 176.094 0.032 0.000 1.034 161 V CA 1.889 64.212 62.300 0.037 0.000 1.115 161 V CB 0.130 31.977 31.823 0.041 0.000 0.934 161 V HN 2.109 nan 8.190 nan 0.000 0.485 162 G N 3.212 112.025 108.800 0.021 0.000 2.194 162 G HA2 -0.010 3.946 3.960 -0.007 0.000 0.236 162 G HA3 -0.010 3.946 3.960 -0.007 0.000 0.236 162 G C 0.999 175.871 174.900 -0.047 0.000 0.987 162 G CA 0.288 45.387 45.100 -0.002 0.000 0.635 162 G HN 2.135 nan 8.290 nan 0.000 0.520 163 G N 0.075 108.859 108.800 -0.026 0.000 2.581 163 G HA2 -0.265 3.690 3.960 -0.007 0.000 0.291 163 G HA3 -0.265 3.690 3.960 -0.007 0.000 0.291 163 G C 1.167 176.001 174.900 -0.110 0.000 1.277 163 G CA 1.225 46.300 45.100 -0.041 0.000 0.959 163 G HN 1.104 nan 8.290 nan 0.000 0.554 164 M N 1.528 121.024 119.600 -0.174 0.000 2.549 164 M HA -0.009 4.466 4.480 -0.007 0.000 0.260 164 M C 2.673 178.603 176.300 -0.617 0.000 1.076 164 M CA 1.722 56.771 55.300 -0.418 0.000 1.090 164 M CB -0.224 32.221 32.600 -0.258 0.000 1.418 164 M HN 0.709 nan 8.290 nan 0.000 0.486 165 S N -0.641 114.752 115.700 -0.512 0.000 2.603 165 S HA -0.064 4.401 4.470 -0.007 0.000 0.229 165 S C 1.691 176.133 174.600 -0.263 0.000 0.972 165 S CA 1.121 58.905 58.200 -0.694 0.000 0.935 165 S CB -0.988 61.842 63.200 -0.616 0.000 0.769 165 S HN 0.582 nan 8.310 nan 0.000 0.536 166 T N -0.546 113.864 114.554 -0.241 0.000 3.085 166 T HA 0.006 4.351 4.350 -0.007 0.000 0.263 166 T C 1.407 175.951 174.700 -0.261 0.000 1.127 166 T CA 0.878 62.877 62.100 -0.169 0.000 1.103 166 T CB -0.682 68.185 68.868 -0.002 0.000 0.921 166 T HN 0.903 nan 8.240 nan 0.000 0.510 167 H N -1.926 117.073 119.070 -0.118 0.000 3.535 167 H HA 0.209 4.762 4.556 -0.005 0.000 0.260 167 H C 0.536 176.079 175.328 0.359 0.000 1.173 167 H CA -1.034 55.096 56.048 0.137 0.000 1.168 167 H CB -0.424 29.409 29.762 0.119 0.000 1.568 167 H HN 0.491 nan 8.280 nan 0.000 0.602 168 W N 2.685 123.939 121.300 -0.078 0.000 2.079 168 W HA 0.269 4.924 4.660 -0.008 0.000 0.354 168 W C 0.169 176.799 176.519 0.184 0.000 1.302 168 W CA -0.218 57.186 57.345 0.098 0.000 1.281 168 W CB -0.139 29.300 29.460 -0.034 0.000 1.165 168 W HN -0.202 nan 8.180 nan 0.000 0.603 169 T N 1.252 115.816 114.554 0.018 0.000 3.035 169 T HA -0.065 4.281 4.350 -0.007 0.000 0.268 169 T C 1.118 175.430 174.700 -0.646 0.000 1.109 169 T CA 1.581 63.518 62.100 -0.273 0.000 1.119 169 T CB -0.497 68.365 68.868 -0.011 0.000 0.900 169 T HN 0.674 nan 8.240 nan 0.000 0.503 170 C N 0.705 119.241 119.300 -1.273 0.000 4.617 170 C HA -0.110 4.346 4.460 -0.007 0.000 0.260 170 C C 1.064 175.576 174.990 -0.795 0.000 1.288 170 C CA -0.800 57.207 59.018 -1.685 0.000 1.668 170 C CB -2.705 24.550 27.740 -0.808 0.000 1.518 170 C HN 0.760 nan 8.230 nan 0.000 0.708 171 A N 1.146 123.697 122.820 -0.449 0.000 2.404 171 A HA 0.555 4.871 4.320 -0.007 0.000 0.273 171 A C 0.788 178.281 177.584 -0.151 0.000 1.144 171 A CA 1.115 53.035 52.037 -0.194 0.000 0.806 171 A CB 0.172 19.127 19.000 -0.075 0.000 1.080 171 A HN 1.372 nan 8.150 nan 0.000 0.509 172 T N 1.621 116.103 114.554 -0.120 0.000 3.466 172 T HA 0.503 4.848 4.350 -0.007 0.000 0.297 172 T C -2.641 172.010 174.700 -0.082 0.000 1.640 172 T CA -1.503 60.563 62.100 -0.056 0.000 1.631 172 T CB 0.478 69.346 68.868 0.001 0.000 0.928 172 T HN 0.456 nan 8.240 nan 0.000 0.688 173 P HA 0.360 nan 4.420 nan 0.000 0.277 173 P C -0.163 176.989 177.300 -0.246 0.000 1.240 173 P CA -0.607 62.388 63.100 -0.174 0.000 0.798 173 P CB 1.149 32.712 31.700 -0.229 0.000 0.979 174 R N 0.808 121.077 120.500 -0.385 0.000 2.615 174 R HA 0.405 4.740 4.340 -0.007 0.000 0.270 174 R C 0.030 176.198 176.300 -0.222 0.000 1.081 174 R CA -0.415 55.233 56.100 -0.754 0.000 1.154 174 R CB 0.195 29.917 30.300 -0.964 0.000 1.063 174 R HN 0.378 nan 8.270 nan 0.000 0.519 175 F N 1.876 121.579 119.950 -0.411 0.000 2.394 175 F HA 0.073 4.596 4.527 -0.008 0.000 0.340 175 F C 0.944 176.557 175.800 -0.312 0.000 1.105 175 F CA -1.602 56.195 58.000 -0.338 0.000 1.124 175 F CB 0.474 39.264 39.000 -0.349 0.000 1.145 175 F HN 0.544 nan 8.300 nan 0.000 0.505 176 D N 2.694 123.021 120.400 -0.121 0.000 2.398 176 D HA 0.121 4.757 4.640 -0.007 0.000 0.247 176 D C 1.048 177.259 176.300 -0.148 0.000 1.227 176 D CA -0.416 53.512 54.000 -0.120 0.000 0.980 176 D CB 0.682 41.423 40.800 -0.098 0.000 1.106 176 D HN 0.485 nan 8.370 nan 0.000 0.493 177 R N -0.259 120.180 120.500 -0.101 0.000 2.096 177 R HA -0.219 4.116 4.340 -0.007 0.000 0.240 177 R C 2.131 178.373 176.300 -0.098 0.000 1.139 177 R CA 2.010 58.057 56.100 -0.088 0.000 0.952 177 R CB -0.344 29.940 30.300 -0.026 0.000 0.854 177 R HN 0.708 nan 8.270 nan 0.000 0.436 178 E N 0.770 120.911 120.200 -0.099 0.000 2.209 178 E HA -0.235 4.110 4.350 -0.007 0.000 0.196 178 E C 1.444 177.930 176.600 -0.190 0.000 0.993 178 E CA 1.301 57.650 56.400 -0.084 0.000 0.819 178 E CB 0.170 29.874 29.700 0.007 0.000 0.745 178 E HN 0.434 nan 8.360 nan 0.000 0.477 179 Q N -0.481 119.099 119.800 -0.366 0.000 2.356 179 Q HA 0.132 4.468 4.340 -0.007 0.000 0.205 179 Q C 0.313 176.187 176.000 -0.211 0.000 0.901 179 Q CA -0.111 55.401 55.803 -0.485 0.000 0.938 179 Q CB 0.625 28.753 28.738 -1.016 0.000 1.081 179 Q HN -0.024 nan 8.270 nan 0.000 0.517 180 R N 1.991 122.419 120.500 -0.120 0.000 2.514 180 R HA 0.317 4.653 4.340 -0.007 0.000 0.301 180 R C -2.568 173.705 176.300 -0.045 0.000 0.962 180 R CA -2.143 53.895 56.100 -0.103 0.000 0.882 180 R CB 1.132 31.195 30.300 -0.395 0.000 1.143 180 R HN -0.121 nan 8.270 nan 0.000 0.452 181 P HA 0.049 nan 4.420 nan 0.000 0.272 181 P C -0.614 176.854 177.300 0.279 0.000 1.223 181 P CA -0.108 63.078 63.100 0.144 0.000 0.784 181 P CB 0.681 32.479 31.700 0.164 0.000 0.923 182 L N 2.534 123.892 121.223 0.224 0.000 2.410 182 L HA 0.133 4.468 4.340 -0.007 0.000 0.273 182 L C 1.786 178.818 176.870 0.270 0.000 1.152 182 L CA -0.145 54.894 54.840 0.332 0.000 0.855 182 L CB 0.086 42.386 42.059 0.403 0.000 1.129 182 L HN 0.350 nan 8.230 nan 0.000 0.463 183 L N 3.541 124.958 121.223 0.323 0.000 2.470 183 L HA 0.183 4.518 4.340 -0.007 0.000 0.219 183 L C -0.023 177.018 176.870 0.285 0.000 1.071 183 L CA 0.229 55.136 54.840 0.110 0.000 0.850 183 L CB 0.551 42.458 42.059 -0.253 0.000 1.040 183 L HN 0.331 nan 8.230 nan 0.000 0.475 184 V N -0.182 119.911 119.914 0.298 0.000 2.487 184 V HA 0.170 4.286 4.120 -0.007 0.000 0.298 184 V C 0.779 176.993 176.094 0.200 0.000 1.028 184 V CA -0.689 61.737 62.300 0.209 0.000 0.860 184 V CB 2.088 33.975 31.823 0.106 0.000 0.991 184 V HN 0.073 nan 8.190 nan 0.000 0.427 185 K N 2.048 122.425 120.400 -0.039 0.000 2.031 185 K HA -0.052 4.263 4.320 -0.007 0.000 0.205 185 K C 0.356 176.934 176.600 -0.037 0.000 1.049 185 K CA 1.741 57.918 56.287 -0.183 0.000 0.939 185 K CB 0.220 32.334 32.500 -0.643 0.000 0.717 185 K HN 0.768 nan 8.250 nan 0.000 0.438 186 D N 0.017 120.392 120.400 -0.042 0.000 2.720 186 D HA 0.082 4.718 4.640 -0.007 0.000 0.285 186 D C -1.473 174.833 176.300 0.010 0.000 1.359 186 D CA -0.042 53.949 54.000 -0.015 0.000 0.818 186 D CB 0.733 41.510 40.800 -0.039 0.000 1.108 186 D HN 0.035 nan 8.370 nan 0.000 0.474 187 D N -0.066 120.354 120.400 0.032 0.000 2.319 187 D HA 0.239 4.875 4.640 -0.007 0.000 0.237 187 D C 0.691 177.028 176.300 0.063 0.000 1.353 187 D CA -0.431 53.591 54.000 0.038 0.000 0.992 187 D CB 0.887 41.703 40.800 0.027 0.000 1.368 187 D HN 0.007 nan 8.370 nan 0.000 0.564 188 A N 3.084 125.941 122.820 0.063 0.000 1.969 188 A HA -0.120 4.196 4.320 -0.007 0.000 0.218 188 A C 1.612 179.245 177.584 0.082 0.000 1.169 188 A CA 1.230 53.315 52.037 0.079 0.000 0.635 188 A CB -0.002 19.036 19.000 0.064 0.000 0.810 188 A HN 0.489 nan 8.150 nan 0.000 0.445 189 D N 0.229 120.667 120.400 0.063 0.000 2.117 189 D HA -0.048 4.587 4.640 -0.007 0.000 0.198 189 D C 2.262 178.602 176.300 0.066 0.000 0.982 189 D CA 1.549 55.585 54.000 0.060 0.000 0.828 189 D CB -0.424 40.402 40.800 0.043 0.000 0.967 189 D HN 0.405 nan 8.370 nan 0.000 0.464 190 A N 0.774 123.629 122.820 0.059 0.000 1.902 190 A HA -0.212 4.103 4.320 -0.007 0.000 0.217 190 A C 1.970 179.601 177.584 0.077 0.000 1.181 190 A CA 2.054 54.123 52.037 0.053 0.000 0.623 190 A CB -0.670 18.354 19.000 0.039 0.000 0.818 190 A HN 0.199 nan 8.150 nan 0.000 0.443 191 D N -0.303 120.168 120.400 0.117 0.000 2.117 191 D HA -0.166 4.469 4.640 -0.007 0.000 0.197 191 D C 1.311 177.777 176.300 0.275 0.000 0.987 191 D CA 1.572 55.690 54.000 0.196 0.000 0.829 191 D CB -0.129 40.816 40.800 0.241 0.000 0.961 191 D HN 0.348 nan 8.370 nan 0.000 0.460 192 D N -0.224 120.301 120.400 0.208 0.000 2.104 192 D HA -0.143 4.493 4.640 -0.007 0.000 0.194 192 D C 2.032 178.442 176.300 0.183 0.000 0.994 192 D CA 1.515 55.638 54.000 0.204 0.000 0.830 192 D CB -0.627 40.248 40.800 0.126 0.000 0.959 192 D HN 0.327 nan 8.370 nan 0.000 0.452 193 A N 0.676 123.564 122.820 0.114 0.000 1.908 193 A HA -0.229 4.087 4.320 -0.007 0.000 0.218 193 A C 2.158 179.769 177.584 0.045 0.000 1.181 193 A CA 1.997 54.076 52.037 0.071 0.000 0.627 193 A CB -0.570 18.455 19.000 0.041 0.000 0.818 193 A HN 0.154 nan 8.150 nan 0.000 0.445 194 E N -0.907 119.302 120.200 0.014 0.000 2.051 194 E HA -0.192 4.154 4.350 -0.007 0.000 0.192 194 E C 1.680 178.184 176.600 -0.159 0.000 0.991 194 E CA 1.560 57.893 56.400 -0.112 0.000 0.799 194 E CB -0.418 29.162 29.700 -0.200 0.000 0.748 194 E HN 0.744 nan 8.360 nan 0.000 0.449 195 W N 0.599 121.862 121.300 -0.060 0.000 2.388 195 W HA -0.080 4.576 4.660 -0.007 0.000 0.294 195 W C 2.146 178.659 176.519 -0.009 0.000 1.212 195 W CA 1.030 58.301 57.345 -0.123 0.000 1.271 195 W CB -0.258 29.172 29.460 -0.051 0.000 1.126 195 W HN 0.195 nan 8.180 nan 0.000 0.535 196 D N 0.162 120.730 120.400 0.279 0.000 2.097 196 D HA -0.209 4.427 4.640 -0.007 0.000 0.195 196 D C 2.141 178.513 176.300 0.120 0.000 0.989 196 D CA 1.426 55.556 54.000 0.216 0.000 0.827 196 D CB -0.232 40.651 40.800 0.139 0.000 0.966 196 D HN 0.000 nan 8.370 nan 0.000 0.456 197 R N -0.240 120.281 120.500 0.036 0.000 2.073 197 R HA -0.079 4.257 4.340 -0.007 0.000 0.234 197 R C 2.552 178.810 176.300 -0.070 0.000 1.134 197 R CA 1.068 57.152 56.100 -0.026 0.000 0.952 197 R CB -0.330 29.935 30.300 -0.059 0.000 0.850 197 R HN 0.244 nan 8.270 nan 0.000 0.433 198 L N -0.459 120.685 121.223 -0.131 0.000 2.027 198 L HA -0.185 4.151 4.340 -0.007 0.000 0.206 198 L C 2.396 179.197 176.870 -0.115 0.000 1.074 198 L CA 1.220 55.931 54.840 -0.215 0.000 0.745 198 L CB -0.649 41.170 42.059 -0.399 0.000 0.898 198 L HN 0.198 nan 8.230 nan 0.000 0.433 199 Y N 0.428 120.731 120.300 0.005 0.000 2.224 199 Y HA -0.236 4.310 4.550 -0.007 0.000 0.289 199 Y C 2.881 178.765 175.900 -0.027 0.000 1.146 199 Y CA 1.532 59.645 58.100 0.020 0.000 1.182 199 Y CB -1.156 37.347 38.460 0.072 0.000 0.983 199 Y HN 0.149 nan 8.280 nan 0.000 0.524 200 T N -0.321 114.308 114.554 0.125 0.000 2.708 200 T HA -0.225 4.121 4.350 -0.007 0.000 0.266 200 T C 1.987 176.659 174.700 -0.048 0.000 1.037 200 T CA 1.743 63.867 62.100 0.039 0.000 1.146 200 T CB -0.196 68.686 68.868 0.023 0.000 0.865 200 T HN 0.230 nan 8.240 nan 0.000 0.435 201 K N 0.867 121.183 120.400 -0.141 0.000 2.057 201 K HA -0.019 4.296 4.320 -0.007 0.000 0.207 201 K C 2.532 178.836 176.600 -0.493 0.000 1.049 201 K CA 1.155 57.237 56.287 -0.343 0.000 0.931 201 K CB -0.315 31.930 32.500 -0.425 0.000 0.714 201 K HN 0.272 nan 8.250 nan 0.000 0.440 202 A N 1.307 123.946 122.820 -0.302 0.000 1.908 202 A HA -0.220 4.096 4.320 -0.007 0.000 0.218 202 A C 1.837 179.449 177.584 0.047 0.000 1.181 202 A CA 1.848 53.787 52.037 -0.162 0.000 0.627 202 A CB -0.523 18.484 19.000 0.012 0.000 0.818 202 A HN 0.470 nan 8.150 nan 0.000 0.445 203 E N -0.628 119.631 120.200 0.098 0.000 2.110 203 E HA -0.149 4.196 4.350 -0.007 0.000 0.193 203 E C 2.268 178.954 176.600 0.143 0.000 0.988 203 E CA 1.174 57.670 56.400 0.160 0.000 0.804 203 E CB -0.171 29.592 29.700 0.105 0.000 0.745 203 E HN 0.604 nan 8.360 nan 0.000 0.458 204 S N -0.402 115.329 115.700 0.053 0.000 2.368 204 S HA -0.169 4.296 4.470 -0.007 0.000 0.225 204 S C 1.819 176.549 174.600 0.216 0.000 1.030 204 S CA 0.946 59.197 58.200 0.085 0.000 0.999 204 S CB -0.210 62.999 63.200 0.016 0.000 0.844 204 S HN 0.269 nan 8.310 nan 0.000 0.459 205 Y N 0.349 120.658 120.300 0.015 0.000 2.145 205 Y HA 0.005 4.551 4.550 -0.008 0.000 0.286 205 Y C 2.092 178.015 175.900 0.038 0.000 1.145 205 Y CA 0.425 58.499 58.100 -0.044 0.000 1.148 205 Y CB -1.180 37.166 38.460 -0.191 0.000 0.981 205 Y HN 0.327 nan 8.280 nan 0.000 0.507 206 F N 0.259 120.372 119.950 0.271 0.000 2.661 206 F HA -0.013 4.511 4.527 -0.006 0.000 0.298 206 F C 0.908 176.820 175.800 0.188 0.000 1.137 206 F CA 0.323 58.471 58.000 0.246 0.000 1.454 206 F CB -0.416 38.750 39.000 0.278 0.000 1.103 206 F HN 0.020 nan 8.300 nan 0.000 0.577 207 Q N 0.304 120.296 119.800 0.319 0.000 2.468 207 Q HA -0.196 4.140 4.340 -0.007 0.000 0.289 207 Q C 0.078 176.169 176.000 0.152 0.000 1.299 207 Q CA 0.789 56.707 55.803 0.190 0.000 0.838 207 Q CB -2.711 26.116 28.738 0.148 0.000 1.195 207 Q HN 0.227 nan 8.270 nan 0.000 0.456 208 T N 0.063 114.723 114.554 0.177 0.000 2.902 208 T HA 0.410 4.755 4.350 -0.007 0.000 0.301 208 T C 0.789 175.525 174.700 0.059 0.000 1.012 208 T CA 0.639 62.805 62.100 0.110 0.000 1.151 208 T CB 1.187 70.130 68.868 0.125 0.000 0.946 208 T HN 0.473 nan 8.240 nan 0.000 0.542 209 G N 0.744 109.564 108.800 0.033 0.000 2.694 209 G HA2 0.561 4.516 3.960 -0.007 0.000 0.290 209 G HA3 0.561 4.516 3.960 -0.007 0.000 0.290 209 G C 0.145 175.061 174.900 0.026 0.000 1.386 209 G CA -0.626 44.485 45.100 0.018 0.000 0.872 209 G HN 0.629 nan 8.290 nan 0.000 0.475 210 T N -2.463 112.107 114.554 0.026 0.000 3.288 210 T HA 0.247 4.593 4.350 -0.007 0.000 0.293 210 T C 0.158 174.886 174.700 0.046 0.000 1.008 210 T CA 0.479 62.606 62.100 0.046 0.000 0.929 210 T CB 0.372 69.268 68.868 0.047 0.000 1.152 210 T HN 0.490 nan 8.240 nan 0.000 0.517 211 D N 0.354 120.763 120.400 0.015 0.000 2.500 211 D HA 0.057 4.692 4.640 -0.007 0.000 0.217 211 D C 1.330 177.585 176.300 -0.075 0.000 1.159 211 D CA -0.046 53.944 54.000 -0.015 0.000 0.828 211 D CB -0.033 40.748 40.800 -0.032 0.000 1.039 211 D HN 0.258 nan 8.370 nan 0.000 0.512 212 Q N -0.332 119.418 119.800 -0.083 0.000 2.369 212 Q HA 0.142 4.478 4.340 -0.007 0.000 0.206 212 Q C 0.420 176.079 176.000 -0.569 0.000 0.963 212 Q CA 0.906 56.524 55.803 -0.309 0.000 0.894 212 Q CB -0.280 28.230 28.738 -0.380 0.000 0.965 212 Q HN 0.308 nan 8.270 nan 0.000 0.475 213 F N -0.046 119.764 119.950 -0.233 0.000 2.698 213 F HA 0.218 4.741 4.527 -0.007 0.000 0.304 213 F C 1.303 176.936 175.800 -0.278 0.000 1.108 213 F CA -0.500 57.326 58.000 -0.290 0.000 1.263 213 F CB 0.380 39.134 39.000 -0.409 0.000 1.013 213 F HN 0.001 nan 8.300 nan 0.000 0.532 214 K N 0.379 120.733 120.400 -0.077 0.000 2.280 214 K HA -0.108 4.207 4.320 -0.007 0.000 0.202 214 K C 0.871 177.513 176.600 0.070 0.000 1.047 214 K CA 1.565 57.875 56.287 0.038 0.000 0.942 214 K CB -0.164 32.343 32.500 0.011 0.000 0.739 214 K HN 0.322 nan 8.250 nan 0.000 0.457 215 E N 1.549 121.698 120.200 -0.086 0.000 2.465 215 E HA 0.036 4.381 4.350 -0.007 0.000 0.195 215 E C -0.545 176.117 176.600 0.104 0.000 1.028 215 E CA -0.255 56.015 56.400 -0.217 0.000 0.899 215 E CB 0.760 30.134 29.700 -0.543 0.000 1.032 215 E HN 0.212 nan 8.360 nan 0.000 0.468 216 S N 0.764 116.577 115.700 0.189 0.000 2.481 216 S HA 0.149 4.615 4.470 -0.007 0.000 0.276 216 S C 1.196 175.944 174.600 0.246 0.000 1.247 216 S CA -0.396 57.930 58.200 0.210 0.000 1.053 216 S CB 0.408 63.769 63.200 0.268 0.000 0.925 216 S HN 0.182 nan 8.310 nan 0.000 0.491 217 I N 5.142 125.720 120.570 0.014 0.000 2.226 217 I HA -0.166 3.999 4.170 -0.007 0.000 0.245 217 I C 2.639 178.731 176.117 -0.040 0.000 1.100 217 I CA 1.205 62.317 61.300 -0.313 0.000 1.374 217 I CB -0.137 37.396 38.000 -0.779 0.000 1.057 217 I HN 0.695 nan 8.210 nan 0.000 0.413 218 R N -0.699 119.812 120.500 0.019 0.000 2.075 218 R HA -0.211 4.125 4.340 -0.007 0.000 0.232 218 R C 2.330 178.715 176.300 0.140 0.000 1.126 218 R CA 1.558 57.701 56.100 0.071 0.000 0.963 218 R CB -0.670 29.664 30.300 0.057 0.000 0.858 218 R HN 0.409 nan 8.270 nan 0.000 0.435 219 H N 1.326 120.460 119.070 0.108 0.000 2.289 219 H HA -0.102 4.450 4.556 -0.008 0.000 0.296 219 H C 1.896 177.320 175.328 0.161 0.000 1.091 219 H CA 2.004 58.126 56.048 0.124 0.000 1.274 219 H CB -0.180 29.685 29.762 0.172 0.000 1.364 219 H HN 0.128 nan 8.280 nan 0.000 0.490 220 N N -0.073 118.778 118.700 0.251 0.000 2.043 220 N HA -0.167 4.569 4.740 -0.007 0.000 0.193 220 N C 2.022 177.653 175.510 0.202 0.000 1.037 220 N CA 1.368 54.583 53.050 0.274 0.000 0.851 220 N CB -0.367 38.496 38.487 0.628 0.000 1.027 220 N HN 0.268 nan 8.380 nan 0.000 0.422 221 L N 1.413 122.800 121.223 0.273 0.000 2.013 221 L HA -0.155 4.181 4.340 -0.007 0.000 0.212 221 L C 2.283 179.200 176.870 0.078 0.000 1.073 221 L CA 1.363 56.330 54.840 0.211 0.000 0.753 221 L CB -0.706 41.471 42.059 0.197 0.000 0.890 221 L HN -0.054 nan 8.230 nan 0.000 0.432 222 V N -0.984 118.945 119.914 0.024 0.000 2.283 222 V HA -0.266 3.849 4.120 -0.007 0.000 0.243 222 V C 2.416 178.441 176.094 -0.114 0.000 1.039 222 V CA 1.805 64.087 62.300 -0.031 0.000 1.016 222 V CB -0.481 31.303 31.823 -0.065 0.000 0.650 222 V HN 0.467 nan 8.190 nan 0.000 0.449 223 L N 0.289 121.410 121.223 -0.171 0.000 2.017 223 L HA -0.178 4.158 4.340 -0.007 0.000 0.208 223 L C 2.471 179.260 176.870 -0.135 0.000 1.073 223 L CA 1.715 56.437 54.840 -0.197 0.000 0.745 223 L CB -0.431 41.468 42.059 -0.266 0.000 0.894 223 L HN 0.380 nan 8.230 nan 0.000 0.432 224 N N 0.212 118.875 118.700 -0.063 0.000 2.120 224 N HA -0.238 4.498 4.740 -0.007 0.000 0.188 224 N C 1.755 177.229 175.510 -0.060 0.000 1.024 224 N CA 1.306 54.334 53.050 -0.037 0.000 0.852 224 N CB -0.280 38.199 38.487 -0.015 0.000 1.003 224 N HN 0.215 nan 8.380 nan 0.000 0.424 225 K N 1.343 121.706 120.400 -0.062 0.000 2.025 225 K HA 0.072 4.388 4.320 -0.007 0.000 0.207 225 K C 1.968 178.508 176.600 -0.099 0.000 1.049 225 K CA 0.853 57.106 56.287 -0.056 0.000 0.933 225 K CB -0.442 32.047 32.500 -0.019 0.000 0.714 225 K HN 0.120 nan 8.250 nan 0.000 0.438 226 L N 0.054 121.138 121.223 -0.232 0.000 2.056 226 L HA -0.092 4.243 4.340 -0.007 0.000 0.207 226 L C 2.491 179.140 176.870 -0.368 0.000 1.078 226 L CA 1.208 55.775 54.840 -0.454 0.000 0.749 226 L CB -0.734 40.600 42.059 -1.208 0.000 0.901 226 L HN 0.273 nan 8.230 nan 0.000 0.433 227 A N 0.870 123.528 122.820 -0.270 0.000 1.908 227 A HA -0.262 4.054 4.320 -0.007 0.000 0.218 227 A C 2.235 179.881 177.584 0.104 0.000 1.181 227 A CA 2.046 54.127 52.037 0.075 0.000 0.627 227 A CB -0.573 18.481 19.000 0.090 0.000 0.818 227 A HN 0.643 nan 8.150 nan 0.000 0.445 228 E N -1.007 119.208 120.200 0.026 0.000 2.285 228 E HA -0.131 4.215 4.350 -0.007 0.000 0.194 228 E C 1.215 177.823 176.600 0.014 0.000 0.997 228 E CA 0.979 57.391 56.400 0.019 0.000 0.845 228 E CB -0.124 29.566 29.700 -0.016 0.000 0.782 228 E HN 0.509 nan 8.360 nan 0.000 0.491 229 E N 0.063 120.269 120.200 0.011 0.000 2.318 229 E HA -0.044 4.301 4.350 -0.007 0.000 0.193 229 E C 0.642 177.130 176.600 -0.187 0.000 0.998 229 E CA 0.473 56.818 56.400 -0.092 0.000 0.859 229 E CB 0.018 29.631 29.700 -0.145 0.000 0.812 229 E HN 0.457 nan 8.360 nan 0.000 0.492 230 Y N 1.120 121.469 120.300 0.081 0.000 2.470 230 Y HA 0.055 4.600 4.550 -0.008 0.000 0.284 230 Y C 0.183 176.134 175.900 0.086 0.000 1.188 230 Y CA -0.127 58.047 58.100 0.124 0.000 1.269 230 Y CB 0.282 38.898 38.460 0.259 0.000 1.094 230 Y HN -0.216 nan 8.280 nan 0.000 0.518 231 K N -0.179 120.287 120.400 0.110 0.000 3.077 231 K HA -0.245 4.070 4.320 -0.007 0.000 0.264 231 K C 1.179 177.833 176.600 0.090 0.000 1.008 231 K CA 0.842 57.168 56.287 0.065 0.000 0.740 231 K CB -2.245 30.267 32.500 0.020 0.000 1.273 231 K HN 0.689 nan 8.250 nan 0.000 0.477 232 G N -0.554 108.319 108.800 0.122 0.000 2.184 232 G HA2 -0.378 3.578 3.960 -0.007 0.000 0.264 232 G HA3 -0.378 3.578 3.960 -0.007 0.000 0.264 232 G C 0.710 175.672 174.900 0.103 0.000 0.975 232 G CA 0.607 45.769 45.100 0.103 0.000 0.642 232 G HN 0.348 nan 8.290 nan 0.000 0.536 233 Q N -0.441 119.438 119.800 0.131 0.000 2.392 233 Q HA 0.233 4.569 4.340 -0.007 0.000 0.203 233 Q C 1.275 177.331 176.000 0.093 0.000 0.917 233 Q CA 0.720 56.590 55.803 0.112 0.000 0.939 233 Q CB 0.538 29.346 28.738 0.117 0.000 1.063 233 Q HN 0.725 nan 8.270 nan 0.000 0.516 234 R N 0.210 120.760 120.500 0.082 0.000 2.604 234 R HA 0.379 4.715 4.340 -0.007 0.000 0.281 234 R C -1.286 174.939 176.300 -0.125 0.000 1.020 234 R CA -0.629 55.397 56.100 -0.123 0.000 0.899 234 R CB 1.525 31.539 30.300 -0.477 0.000 1.205 234 R HN -0.126 nan 8.270 nan 0.000 0.450 235 D N 1.708 121.967 120.400 -0.234 0.000 2.163 235 D HA 0.367 5.002 4.640 -0.007 0.000 0.248 235 D C -0.838 175.220 176.300 -0.403 0.000 1.035 235 D CA -0.003 53.914 54.000 -0.138 0.000 0.872 235 D CB 1.084 41.852 40.800 -0.053 0.000 1.183 235 D HN 0.172 nan 8.370 nan 0.000 0.445 236 F N 1.006 120.954 119.950 -0.003 0.000 2.495 236 F HA 0.395 4.917 4.527 -0.008 0.000 0.327 236 F C 0.662 176.470 175.800 0.013 0.000 1.103 236 F CA -0.696 57.296 58.000 -0.014 0.000 0.949 236 F CB 1.680 40.665 39.000 -0.025 0.000 1.142 236 F HN 0.189 nan 8.300 nan 0.000 0.457 237 Q N 0.691 120.586 119.800 0.158 0.000 2.693 237 Q HA 0.385 4.720 4.340 -0.007 0.000 0.306 237 Q C -1.483 174.623 176.000 0.176 0.000 0.969 237 Q CA -1.297 54.592 55.803 0.144 0.000 0.757 237 Q CB 1.840 30.630 28.738 0.086 0.000 1.494 237 Q HN 0.628 nan 8.270 nan 0.000 0.459 238 Q N 0.869 120.796 119.800 0.212 0.000 2.352 238 Q HA 0.261 4.597 4.340 -0.007 0.000 0.260 238 Q C -0.571 175.502 176.000 0.122 0.000 0.976 238 Q CA -0.343 55.607 55.803 0.244 0.000 0.881 238 Q CB 0.592 29.443 28.738 0.189 0.000 1.235 238 Q HN 0.607 nan 8.270 nan 0.000 0.419 239 I N 6.236 126.857 120.570 0.085 0.000 2.821 239 I HA -0.070 4.096 4.170 -0.007 0.000 0.294 239 I C -1.979 174.157 176.117 0.032 0.000 1.210 239 I CA -1.263 60.060 61.300 0.038 0.000 1.430 239 I CB 0.115 38.108 38.000 -0.013 0.000 1.356 239 I HN 0.460 nan 8.210 nan 0.000 0.563 240 P HA 0.208 nan 4.420 nan 0.000 0.271 240 P C -0.937 176.357 177.300 -0.011 0.000 1.233 240 P CA 0.168 63.273 63.100 0.007 0.000 0.764 240 P CB 0.417 32.108 31.700 -0.016 0.000 0.825 241 L N 2.526 123.755 121.223 0.011 0.000 2.362 241 L HA 0.616 4.952 4.340 -0.007 0.000 0.275 241 L C 0.368 177.231 176.870 -0.012 0.000 0.998 241 L CA -1.159 53.683 54.840 0.002 0.000 0.820 241 L CB 2.025 44.157 42.059 0.122 0.000 1.270 241 L HN 0.247 nan 8.230 nan 0.000 0.415 242 A N 3.277 126.044 122.820 -0.088 0.000 2.544 242 A HA 0.730 5.045 4.320 -0.007 0.000 0.301 242 A C 0.101 177.706 177.584 0.035 0.000 1.368 242 A CA 0.193 52.224 52.037 -0.010 0.000 1.045 242 A CB -0.415 18.514 19.000 -0.119 0.000 1.129 242 A HN 0.815 nan 8.150 nan 0.000 0.540 243 A N 2.077 124.888 122.820 -0.014 0.000 2.590 243 A HA 0.701 5.017 4.320 -0.007 0.000 0.296 243 A C -0.506 176.963 177.584 -0.192 0.000 1.050 243 A CA -0.474 51.453 52.037 -0.183 0.000 0.697 243 A CB 0.669 19.380 19.000 -0.481 0.000 1.277 243 A HN 0.706 nan 8.150 nan 0.000 0.411 244 T N 1.525 115.936 114.554 -0.238 0.000 2.840 244 T HA 0.482 4.827 4.350 -0.007 0.000 0.287 244 T C -0.026 174.520 174.700 -0.257 0.000 0.991 244 T CA -0.447 61.541 62.100 -0.187 0.000 0.964 244 T CB 1.202 70.019 68.868 -0.085 0.000 0.954 244 T HN 0.737 nan 8.240 nan 0.000 0.438 245 R N 2.517 122.849 120.500 -0.280 0.000 2.401 245 R HA 0.192 4.528 4.340 -0.007 0.000 0.299 245 R C 0.838 177.054 176.300 -0.140 0.000 1.064 245 R CA -0.332 55.598 56.100 -0.283 0.000 1.000 245 R CB 0.373 30.468 30.300 -0.343 0.000 0.973 245 R HN 0.420 nan 8.270 nan 0.000 0.438 246 R N 1.300 121.775 120.500 -0.043 0.000 2.175 246 R HA 0.109 4.444 4.340 -0.007 0.000 0.202 246 R C 0.342 176.631 176.300 -0.018 0.000 1.018 246 R CA 0.793 56.898 56.100 0.009 0.000 1.029 246 R CB 0.161 30.521 30.300 0.099 0.000 0.959 246 R HN 0.773 nan 8.270 nan 0.000 0.480 247 S N -1.562 114.135 115.700 -0.006 0.000 2.672 247 S HA 0.376 4.842 4.470 -0.007 0.000 0.271 247 S C -2.597 171.970 174.600 -0.055 0.000 1.171 247 S CA -1.122 57.061 58.200 -0.027 0.000 0.817 247 S CB 2.141 65.342 63.200 0.001 0.000 1.150 247 S HN -0.270 nan 8.310 nan 0.000 0.478 248 P HA -0.001 nan 4.420 nan 0.000 0.220 248 P C 0.933 178.206 177.300 -0.044 0.000 1.144 248 P CA 1.800 64.859 63.100 -0.068 0.000 0.800 248 P CB -0.193 31.483 31.700 -0.040 0.000 0.772 249 T N -6.842 107.717 114.554 0.008 0.000 3.231 249 T HA 0.322 4.668 4.350 -0.007 0.000 0.292 249 T C -0.324 174.443 174.700 0.111 0.000 1.001 249 T CA -0.408 61.720 62.100 0.047 0.000 0.920 249 T CB -0.695 68.217 68.868 0.074 0.000 1.140 249 T HN -0.107 nan 8.240 nan 0.000 0.525 250 F N 1.439 121.332 119.950 -0.095 0.000 2.573 250 F HA 0.661 5.184 4.527 -0.007 0.000 0.316 250 F C -1.678 173.997 175.800 -0.208 0.000 1.148 250 F CA -0.964 56.975 58.000 -0.101 0.000 0.940 250 F CB 1.968 40.924 39.000 -0.073 0.000 1.214 250 F HN -0.079 nan 8.300 nan 0.000 0.448 251 V N 5.094 124.551 119.914 -0.761 0.000 2.487 251 V HA 0.286 4.401 4.120 -0.007 0.000 0.298 251 V C -0.411 175.085 176.094 -0.996 0.000 1.028 251 V CA -0.858 60.943 62.300 -0.832 0.000 0.860 251 V CB 1.678 32.808 31.823 -1.156 0.000 0.991 251 V HN 0.734 nan 8.190 nan 0.000 0.427 252 E N 4.423 124.340 120.200 -0.471 0.000 1.941 252 E HA 0.141 4.487 4.350 -0.007 0.000 0.275 252 E C -1.020 175.398 176.600 -0.303 0.000 1.113 252 E CA -0.550 55.732 56.400 -0.197 0.000 0.878 252 E CB 0.401 30.148 29.700 0.078 0.000 1.070 252 E HN 0.643 nan 8.360 nan 0.000 0.399 253 W N 2.684 123.878 121.300 -0.176 0.000 2.210 253 W HA 0.059 4.717 4.660 -0.005 0.000 0.330 253 W C 0.781 177.329 176.519 0.048 0.000 1.334 253 W CA -0.477 56.751 57.345 -0.196 0.000 1.227 253 W CB 0.718 29.823 29.460 -0.592 0.000 1.178 253 W HN 0.304 nan 8.180 nan 0.000 0.560 254 S N 1.627 117.544 115.700 0.361 0.000 2.624 254 S HA 0.614 5.079 4.470 -0.007 0.000 0.263 254 S C 0.149 175.197 174.600 0.747 0.000 1.287 254 S CA -0.541 57.943 58.200 0.473 0.000 0.990 254 S CB 1.194 64.685 63.200 0.485 0.000 0.950 254 S HN 0.523 nan 8.310 nan 0.000 0.561 255 S N -0.501 115.587 115.700 0.647 0.000 2.703 255 S HA 0.674 5.139 4.470 -0.007 0.000 0.273 255 S C 0.785 175.591 174.600 0.343 0.000 1.178 255 S CA -0.326 58.194 58.200 0.532 0.000 0.838 255 S CB 0.459 63.891 63.200 0.387 0.000 1.178 255 S HN 0.745 nan 8.310 nan 0.000 0.494 256 A N 1.760 124.671 122.820 0.151 0.000 1.915 256 A HA -0.235 4.081 4.320 -0.007 0.000 0.220 256 A C 2.026 179.655 177.584 0.076 0.000 1.198 256 A CA 2.354 54.435 52.037 0.073 0.000 0.647 256 A CB -1.672 17.341 19.000 0.021 0.000 0.825 256 A HN 0.890 nan 8.150 nan 0.000 0.456 257 N N -0.725 118.028 118.700 0.089 0.000 2.149 257 N HA -0.161 4.575 4.740 -0.007 0.000 0.188 257 N C 1.556 177.087 175.510 0.034 0.000 1.019 257 N CA 2.057 55.132 53.050 0.040 0.000 0.857 257 N CB -0.258 38.268 38.487 0.064 0.000 0.997 257 N HN 0.494 nan 8.380 nan 0.000 0.426 258 T N 0.500 115.125 114.554 0.118 0.000 2.746 258 T HA -0.067 4.279 4.350 -0.007 0.000 0.267 258 T C 2.081 176.808 174.700 0.045 0.000 1.039 258 T CA 1.231 63.404 62.100 0.122 0.000 1.142 258 T CB -0.238 68.781 68.868 0.252 0.000 0.866 258 T HN 0.061 nan 8.240 nan 0.000 0.444 259 V N -0.460 119.462 119.914 0.013 0.000 2.323 259 V HA 0.150 4.266 4.120 -0.007 0.000 0.244 259 V C 0.522 176.558 176.094 -0.098 0.000 1.041 259 V CA 0.962 63.183 62.300 -0.132 0.000 1.025 259 V CB -0.350 31.348 31.823 -0.208 0.000 0.656 259 V HN 0.477 nan 8.190 nan 0.000 0.451 260 F N 0.989 120.803 119.950 -0.226 0.000 2.588 260 F HA 0.393 4.916 4.527 -0.008 0.000 0.318 260 F C 0.311 175.992 175.800 -0.198 0.000 1.155 260 F CA -1.732 56.109 58.000 -0.265 0.000 0.967 260 F CB 1.455 40.244 39.000 -0.352 0.000 1.236 260 F HN 0.170 nan 8.300 nan 0.000 0.455 261 D N 4.629 124.565 120.400 -0.774 0.000 2.371 261 D HA -0.067 4.569 4.640 -0.007 0.000 0.221 261 D C 1.211 177.219 176.300 -0.486 0.000 0.986 261 D CA 1.213 54.916 54.000 -0.495 0.000 0.899 261 D CB -0.026 40.540 40.800 -0.390 0.000 0.902 261 D HN 0.679 nan 8.370 nan 0.000 0.530 262 L N -2.116 118.617 121.223 -0.816 0.000 4.884 262 L HA -0.242 4.094 4.340 -0.007 0.000 0.430 262 L C -0.246 176.596 176.870 -0.047 0.000 1.087 262 L CA 0.472 55.143 54.840 -0.282 0.000 1.033 262 L CB -1.323 40.731 42.059 -0.009 0.000 2.030 262 L HN 0.245 nan 8.230 nan 0.000 0.762 263 Q N 1.068 120.743 119.800 -0.209 0.000 2.332 263 Q HA 0.214 4.550 4.340 -0.007 0.000 0.263 263 Q C 0.372 176.444 176.000 0.121 0.000 0.979 263 Q CA -0.092 55.680 55.803 -0.052 0.000 0.885 263 Q CB 0.600 29.273 28.738 -0.109 0.000 1.218 263 Q HN 0.135 nan 8.270 nan 0.000 0.405 264 N N 2.028 120.792 118.700 0.108 0.000 2.407 264 N HA 0.041 4.777 4.740 -0.007 0.000 0.250 264 N C -0.264 175.321 175.510 0.125 0.000 1.236 264 N CA 0.507 53.623 53.050 0.110 0.000 0.879 264 N CB 0.536 38.989 38.487 -0.057 0.000 1.088 264 N HN 0.271 nan 8.380 nan 0.000 0.450 265 R N 1.206 121.813 120.500 0.177 0.000 2.795 265 R HA 0.474 4.809 4.340 -0.007 0.000 0.275 265 R C -2.513 173.867 176.300 0.134 0.000 0.981 265 R CA -1.689 54.508 56.100 0.163 0.000 0.917 265 R CB 1.606 32.044 30.300 0.230 0.000 1.202 265 R HN 0.340 nan 8.270 nan 0.000 0.469 266 P HA 0.028 nan 4.420 nan 0.000 0.266 266 P C -1.227 176.129 177.300 0.094 0.000 1.195 266 P CA -0.010 63.186 63.100 0.159 0.000 0.768 266 P CB 0.523 32.356 31.700 0.221 0.000 0.838 267 N N -0.797 117.946 118.700 0.072 0.000 2.902 267 N HA 0.280 5.016 4.740 -0.007 0.000 0.268 267 N C 0.460 175.985 175.510 0.025 0.000 1.450 267 N CA -0.785 52.288 53.050 0.038 0.000 0.819 267 N CB -0.453 38.045 38.487 0.019 0.000 1.540 267 N HN 0.038 nan 8.380 nan 0.000 0.545 268 T N -0.973 113.587 114.554 0.010 0.000 2.759 268 T HA -0.107 4.239 4.350 -0.007 0.000 0.269 268 T C 0.336 175.033 174.700 -0.005 0.000 1.042 268 T CA 1.630 63.731 62.100 0.002 0.000 1.140 268 T CB -0.419 68.447 68.868 -0.003 0.000 0.864 268 T HN 0.517 nan 8.240 nan 0.000 0.455 269 D N 1.196 121.590 120.400 -0.010 0.000 2.277 269 D HA 0.210 4.846 4.640 -0.007 0.000 0.208 269 D C 0.822 177.116 176.300 -0.011 0.000 0.962 269 D CA 0.471 54.460 54.000 -0.018 0.000 0.865 269 D CB 0.111 40.892 40.800 -0.032 0.000 0.939 269 D HN 0.433 nan 8.370 nan 0.000 0.510 270 A N 1.034 123.857 122.820 0.004 0.000 3.266 270 A HA 0.320 4.636 4.320 -0.007 0.000 0.310 270 A C -2.024 175.586 177.584 0.043 0.000 1.066 270 A CA -0.845 51.205 52.037 0.020 0.000 0.839 270 A CB 0.990 20.011 19.000 0.036 0.000 1.192 270 A HN -0.168 nan 8.150 nan 0.000 0.496 271 P HA -0.081 nan 4.420 nan 0.000 0.230 271 P C 0.451 177.754 177.300 0.004 0.000 1.158 271 P CA 1.141 64.258 63.100 0.027 0.000 0.769 271 P CB 0.365 32.058 31.700 -0.012 0.000 0.807 272 E N -0.536 119.631 120.200 -0.054 0.000 2.548 272 E HA 0.127 4.473 4.350 -0.007 0.000 0.206 272 E C 0.114 176.785 176.600 0.118 0.000 1.005 272 E CA -0.136 56.139 56.400 -0.209 0.000 0.951 272 E CB 0.431 29.929 29.700 -0.337 0.000 1.035 272 E HN 0.443 nan 8.360 nan 0.000 0.470 273 E N 1.133 121.455 120.200 0.203 0.000 2.250 273 E HA 0.431 4.777 4.350 -0.007 0.000 0.269 273 E C -0.255 176.528 176.600 0.305 0.000 1.018 273 E CA -0.511 56.033 56.400 0.240 0.000 0.873 273 E CB 1.398 31.204 29.700 0.177 0.000 1.134 273 E HN -0.091 nan 8.360 nan 0.000 0.403 274 R N 1.876 122.535 120.500 0.264 0.000 2.473 274 R HA 0.433 4.768 4.340 -0.007 0.000 0.303 274 R C -1.551 174.907 176.300 0.262 0.000 1.002 274 R CA -0.543 55.678 56.100 0.202 0.000 0.884 274 R CB 0.996 31.358 30.300 0.103 0.000 1.173 274 R HN 0.409 nan 8.270 nan 0.000 0.464 275 F N 2.143 122.128 119.950 0.059 0.000 2.615 275 F HA 0.438 4.961 4.527 -0.008 0.000 0.312 275 F C -1.764 173.991 175.800 -0.075 0.000 1.119 275 F CA -0.638 57.372 58.000 0.018 0.000 0.979 275 F CB 2.055 41.133 39.000 0.129 0.000 1.266 275 F HN 0.397 nan 8.300 nan 0.000 0.444 276 N N 4.630 122.607 118.700 -1.205 0.000 2.295 276 N HA 0.586 5.321 4.740 -0.007 0.000 0.293 276 N C -2.075 172.372 175.510 -1.771 0.000 1.040 276 N CA -0.646 51.654 53.050 -1.250 0.000 0.840 276 N CB 2.398 40.350 38.487 -0.891 0.000 1.468 276 N HN 0.593 nan 8.380 nan 0.000 0.478 277 L N 2.626 123.037 121.223 -1.353 0.000 2.282 277 L HA 0.643 4.978 4.340 -0.007 0.000 0.288 277 L C -1.660 174.625 176.870 -0.975 0.000 1.033 277 L CA -0.267 54.024 54.840 -0.914 0.000 0.807 277 L CB 0.123 42.027 42.059 -0.258 0.000 1.209 277 L HN 0.460 nan 8.230 nan 0.000 0.423 278 F N 6.337 126.042 119.950 -0.409 0.000 2.359 278 F HA 0.544 5.066 4.527 -0.008 0.000 0.370 278 F C -2.134 173.621 175.800 -0.074 0.000 1.077 278 F CA -2.125 55.731 58.000 -0.240 0.000 1.136 278 F CB 0.652 39.480 39.000 -0.286 0.000 1.387 278 F HN 0.417 nan 8.300 nan 0.000 0.468 279 P HA 0.278 nan 4.420 nan 0.000 0.274 279 P C 0.068 177.430 177.300 0.102 0.000 1.256 279 P CA -0.118 63.027 63.100 0.076 0.000 0.795 279 P CB 0.962 32.687 31.700 0.041 0.000 1.038 280 A N -0.811 122.052 122.820 0.072 0.000 2.822 280 A HA -0.112 4.203 4.320 -0.007 0.000 0.287 280 A C -0.028 177.589 177.584 0.055 0.000 1.479 280 A CA 0.751 52.822 52.037 0.056 0.000 0.779 280 A CB -2.416 16.617 19.000 0.055 0.000 1.022 280 A HN 0.257 nan 8.150 nan 0.000 0.532 281 V N -0.165 119.798 119.914 0.082 0.000 2.380 281 V HA 0.640 4.756 4.120 -0.007 0.000 0.286 281 V C 0.631 176.735 176.094 0.016 0.000 1.015 281 V CA -0.336 62.015 62.300 0.084 0.000 0.834 281 V CB 1.364 33.335 31.823 0.247 0.000 1.009 281 V HN 1.468 nan 8.190 nan 0.000 0.428 282 A N 4.255 127.055 122.820 -0.034 0.000 2.396 282 A HA 0.404 4.720 4.320 -0.007 0.000 0.279 282 A C 0.214 177.768 177.584 -0.050 0.000 1.165 282 A CA -0.079 51.914 52.037 -0.072 0.000 0.824 282 A CB -0.198 18.799 19.000 -0.005 0.000 1.100 282 A HN 0.852 nan 8.150 nan 0.000 0.516 283 C N 2.875 122.118 119.300 -0.095 0.000 2.415 283 C HA 0.373 4.828 4.460 -0.007 0.000 0.369 283 C C 1.345 176.284 174.990 -0.084 0.000 1.279 283 C CA -0.242 58.711 59.018 -0.109 0.000 1.886 283 C CB -0.234 27.436 27.740 -0.118 0.000 2.468 283 C HN 1.019 nan 8.230 nan 0.000 0.553 284 E N 0.778 120.945 120.200 -0.054 0.000 2.364 284 E HA 0.152 4.498 4.350 -0.007 0.000 0.203 284 E C 0.160 176.709 176.600 -0.086 0.000 0.888 284 E CA 0.302 56.668 56.400 -0.057 0.000 0.989 284 E CB 0.566 30.250 29.700 -0.028 0.000 0.985 284 E HN 0.617 nan 8.360 nan 0.000 0.499 285 R N 0.582 121.037 120.500 -0.075 0.000 2.643 285 R HA 0.314 4.649 4.340 -0.007 0.000 0.269 285 R C -1.177 175.083 176.300 -0.066 0.000 1.037 285 R CA -0.583 55.452 56.100 -0.108 0.000 0.894 285 R CB 2.454 32.617 30.300 -0.228 0.000 1.238 285 R HN -0.081 nan 8.270 nan 0.000 0.459 286 V N -0.588 119.275 119.914 -0.086 0.000 2.612 286 V HA 0.656 4.772 4.120 -0.007 0.000 0.301 286 V C -0.124 175.925 176.094 -0.075 0.000 1.046 286 V CA -0.776 61.451 62.300 -0.122 0.000 0.946 286 V CB 1.848 33.537 31.823 -0.223 0.000 1.003 286 V HN 0.409 nan 8.190 nan 0.000 0.459 287 V N 4.874 124.740 119.914 -0.080 0.000 2.333 287 V HA 0.464 4.580 4.120 -0.007 0.000 0.274 287 V C 0.573 176.655 176.094 -0.020 0.000 1.028 287 V CA -0.475 61.809 62.300 -0.027 0.000 0.851 287 V CB 0.665 32.511 31.823 0.039 0.000 1.000 287 V HN 0.940 nan 8.190 nan 0.000 0.456 288 R N 3.636 124.140 120.500 0.006 0.000 2.490 288 R HA 0.292 4.628 4.340 -0.007 0.000 0.278 288 R C 0.449 176.783 176.300 0.056 0.000 1.069 288 R CA -0.561 55.593 56.100 0.090 0.000 1.080 288 R CB 0.613 30.945 30.300 0.053 0.000 1.030 288 R HN 0.859 nan 8.270 nan 0.000 0.491 289 N N 1.306 120.053 118.700 0.079 0.000 2.294 289 N HA -0.000 4.736 4.740 -0.007 0.000 0.248 289 N C 0.533 176.034 175.510 -0.015 0.000 1.300 289 N CA 0.167 53.231 53.050 0.024 0.000 0.925 289 N CB 0.300 38.800 38.487 0.021 0.000 1.188 289 N HN 0.556 nan 8.380 nan 0.000 0.512 290 A N -0.658 122.146 122.820 -0.027 0.000 1.969 290 A HA -0.063 4.252 4.320 -0.007 0.000 0.218 290 A C 1.867 179.411 177.584 -0.067 0.000 1.169 290 A CA 0.899 52.911 52.037 -0.041 0.000 0.635 290 A CB -0.663 18.319 19.000 -0.031 0.000 0.810 290 A HN 0.530 nan 8.150 nan 0.000 0.445 291 L N -0.335 120.836 121.223 -0.086 0.000 2.554 291 L HA 0.125 4.461 4.340 -0.007 0.000 0.226 291 L C -0.031 176.710 176.870 -0.214 0.000 1.137 291 L CA 0.482 55.251 54.840 -0.120 0.000 0.863 291 L CB -0.861 41.135 42.059 -0.106 0.000 0.985 291 L HN 0.480 nan 8.230 nan 0.000 0.451 292 N N -0.277 118.268 118.700 -0.257 0.000 2.725 292 N HA -0.206 4.530 4.740 -0.007 0.000 0.251 292 N C 0.844 175.627 175.510 -1.211 0.000 1.031 292 N CA 0.989 53.706 53.050 -0.554 0.000 0.720 292 N CB -1.555 36.744 38.487 -0.314 0.000 0.930 292 N HN 0.603 nan 8.380 nan 0.000 0.543 293 S N -2.258 112.996 115.700 -0.743 0.000 2.632 293 S HA 0.319 4.785 4.470 -0.007 0.000 0.237 293 S C 0.252 174.713 174.600 -0.232 0.000 1.037 293 S CA -0.237 57.632 58.200 -0.551 0.000 1.009 293 S CB 1.548 64.607 63.200 -0.236 0.000 0.974 293 S HN 0.365 nan 8.310 nan 0.000 0.544 294 E N 0.198 120.380 120.200 -0.030 0.000 2.375 294 E HA 0.469 4.815 4.350 -0.007 0.000 0.280 294 E C -1.740 175.083 176.600 0.372 0.000 0.972 294 E CA -0.792 55.767 56.400 0.264 0.000 0.782 294 E CB 1.403 31.198 29.700 0.160 0.000 1.229 294 E HN 0.104 nan 8.360 nan 0.000 0.439 295 I N 3.203 123.939 120.570 0.276 0.000 2.353 295 I HA 0.180 4.346 4.170 -0.007 0.000 0.293 295 I C 0.703 176.799 176.117 -0.035 0.000 0.992 295 I CA -0.004 61.278 61.300 -0.030 0.000 1.268 295 I CB 1.366 39.107 38.000 -0.431 0.000 1.387 295 I HN 0.681 nan 8.210 nan 0.000 0.478 296 E N 2.626 122.791 120.200 -0.058 0.000 2.473 296 E HA 0.171 4.517 4.350 -0.007 0.000 0.204 296 E C 0.138 176.779 176.600 0.068 0.000 0.994 296 E CA 0.174 56.609 56.400 0.059 0.000 0.945 296 E CB 1.095 30.831 29.700 0.060 0.000 0.990 296 E HN 0.531 nan 8.360 nan 0.000 0.493 297 S N -0.091 115.560 115.700 -0.082 0.000 2.578 297 S HA 0.466 4.931 4.470 -0.007 0.000 0.272 297 S C -2.280 172.274 174.600 -0.076 0.000 1.145 297 S CA -0.744 57.467 58.200 0.018 0.000 0.835 297 S CB 0.978 64.197 63.200 0.032 0.000 1.104 297 S HN 0.068 nan 8.310 nan 0.000 0.458 298 L N 3.943 125.201 121.223 0.059 0.000 2.349 298 L HA 0.588 4.923 4.340 -0.007 0.000 0.278 298 L C -0.780 176.080 176.870 -0.017 0.000 0.996 298 L CA -0.124 54.729 54.840 0.021 0.000 0.825 298 L CB 1.250 43.349 42.059 0.067 0.000 1.243 298 L HN 0.790 nan 8.230 nan 0.000 0.412 299 H N 6.354 125.368 119.070 -0.094 0.000 2.690 299 H HA 0.450 5.002 4.556 -0.007 0.000 0.314 299 H C -0.389 174.869 175.328 -0.117 0.000 1.069 299 H CA -0.008 55.989 56.048 -0.084 0.000 1.436 299 H CB 1.196 30.915 29.762 -0.072 0.000 1.462 299 H HN 0.690 nan 8.280 nan 0.000 0.511 300 I N 0.062 120.615 120.570 -0.027 0.000 2.785 300 I HA 0.378 4.544 4.170 -0.007 0.000 0.302 300 I C -0.722 175.457 176.117 0.105 0.000 1.069 300 I CA -0.933 60.330 61.300 -0.063 0.000 1.045 300 I CB 3.017 40.831 38.000 -0.310 0.000 1.236 300 I HN 0.554 nan 8.210 nan 0.000 0.429 301 H N 3.222 122.289 119.070 -0.006 0.000 2.800 301 H HA 0.248 4.799 4.556 -0.007 0.000 0.322 301 H C -1.483 173.891 175.328 0.077 0.000 0.979 301 H CA -0.673 55.393 56.048 0.030 0.000 1.277 301 H CB 1.514 31.288 29.762 0.020 0.000 1.484 301 H HN 0.811 nan 8.280 nan 0.000 0.512 302 D N 5.364 125.805 120.400 0.068 0.000 2.346 302 D HA -0.002 4.633 4.640 -0.007 0.000 0.260 302 D C 0.928 177.086 176.300 -0.235 0.000 1.252 302 D CA -0.098 53.910 54.000 0.013 0.000 0.895 302 D CB 0.824 41.757 40.800 0.221 0.000 1.097 302 D HN 0.638 nan 8.370 nan 0.000 0.489 303 L N 4.081 125.172 121.223 -0.221 0.000 2.478 303 L HA -0.052 4.284 4.340 -0.007 0.000 0.223 303 L C 1.628 178.453 176.870 -0.074 0.000 1.140 303 L CA 0.013 54.721 54.840 -0.220 0.000 0.842 303 L CB -0.138 41.879 42.059 -0.070 0.000 0.953 303 L HN 0.529 nan 8.230 nan 0.000 0.452 304 I N -0.586 119.971 120.570 -0.021 0.000 2.364 304 I HA -0.121 4.045 4.170 -0.007 0.000 0.241 304 I C 2.723 178.857 176.117 0.029 0.000 1.082 304 I CA 1.558 62.869 61.300 0.018 0.000 1.401 304 I CB -1.273 36.750 38.000 0.039 0.000 1.126 304 I HN 0.251 nan 8.210 nan 0.000 0.429 305 S N 0.618 116.348 115.700 0.050 0.000 2.428 305 S HA 0.057 4.523 4.470 -0.007 0.000 0.230 305 S C 1.875 176.510 174.600 0.059 0.000 1.014 305 S CA 0.996 59.236 58.200 0.066 0.000 0.957 305 S CB -0.153 63.115 63.200 0.112 0.000 0.784 305 S HN 0.650 nan 8.310 nan 0.000 0.499 306 G N 1.026 109.855 108.800 0.048 0.000 2.225 306 G HA2 -0.218 3.738 3.960 -0.007 0.000 0.254 306 G HA3 -0.218 3.738 3.960 -0.007 0.000 0.254 306 G C -0.270 174.747 174.900 0.194 0.000 0.988 306 G CA 0.206 45.385 45.100 0.131 0.000 0.625 306 G HN 0.572 nan 8.290 nan 0.000 0.527 307 D N 0.626 121.068 120.400 0.070 0.000 2.362 307 D HA 0.480 5.116 4.640 -0.007 0.000 0.242 307 D C 0.933 177.116 176.300 -0.195 0.000 1.132 307 D CA 0.232 54.148 54.000 -0.140 0.000 0.907 307 D CB 0.610 41.223 40.800 -0.312 0.000 1.195 307 D HN 0.387 nan 8.370 nan 0.000 0.429 308 R N 0.703 120.939 120.500 -0.441 0.000 2.589 308 R HA 0.613 4.948 4.340 -0.007 0.000 0.293 308 R C -0.754 175.130 176.300 -0.693 0.000 0.963 308 R CA -0.625 55.275 56.100 -0.334 0.000 0.905 308 R CB 1.204 31.403 30.300 -0.167 0.000 1.144 308 R HN 0.290 nan 8.270 nan 0.000 0.459 309 F N -0.263 119.648 119.950 -0.064 0.000 2.664 309 F HA 0.399 4.922 4.527 -0.008 0.000 0.317 309 F C -0.128 175.544 175.800 -0.213 0.000 1.108 309 F CA -0.939 56.989 58.000 -0.120 0.000 0.957 309 F CB 1.930 40.867 39.000 -0.106 0.000 1.365 309 F HN 0.239 nan 8.300 nan 0.000 0.475 310 E N 1.778 121.968 120.200 -0.017 0.000 2.222 310 E HA 0.542 4.887 4.350 -0.007 0.000 0.267 310 E C -1.369 175.209 176.600 -0.037 0.000 0.884 310 E CA -0.774 55.529 56.400 -0.161 0.000 0.764 310 E CB 2.647 32.177 29.700 -0.282 0.000 1.169 310 E HN 0.226 nan 8.360 nan 0.000 0.413 311 I N 2.620 123.180 120.570 -0.017 0.000 2.404 311 I HA 0.300 4.465 4.170 -0.007 0.000 0.293 311 I C -0.069 176.151 176.117 0.172 0.000 0.992 311 I CA -0.966 60.383 61.300 0.083 0.000 1.149 311 I CB 1.365 39.408 38.000 0.072 0.000 1.315 311 I HN 0.380 nan 8.210 nan 0.000 0.446 312 K N 4.940 125.442 120.400 0.171 0.000 2.159 312 K HA 0.825 5.140 4.320 -0.007 0.000 0.266 312 K C -1.049 175.628 176.600 0.129 0.000 0.975 312 K CA -0.264 56.139 56.287 0.193 0.000 0.865 312 K CB 1.624 34.195 32.500 0.119 0.000 1.087 312 K HN 0.790 nan 8.250 nan 0.000 0.446 313 A N 2.934 125.749 122.820 -0.008 0.000 2.566 313 A HA 0.406 4.721 4.320 -0.007 0.000 0.292 313 A C -0.437 177.004 177.584 -0.239 0.000 1.112 313 A CA -0.703 51.181 52.037 -0.255 0.000 0.707 313 A CB 1.118 19.721 19.000 -0.662 0.000 1.302 313 A HN 0.793 nan 8.150 nan 0.000 0.409 314 D N -0.422 119.885 120.400 -0.155 0.000 2.183 314 D HA 0.092 4.728 4.640 -0.007 0.000 0.203 314 D C 0.275 176.440 176.300 -0.225 0.000 0.969 314 D CA 1.666 55.635 54.000 -0.051 0.000 0.842 314 D CB 0.192 41.028 40.800 0.061 0.000 0.957 314 D HN 0.209 nan 8.370 nan 0.000 0.484 315 V N 0.623 120.254 119.914 -0.471 0.000 2.638 315 V HA 0.280 4.396 4.120 -0.007 0.000 0.306 315 V C -1.253 174.537 176.094 -0.508 0.000 1.052 315 V CA -0.881 61.135 62.300 -0.473 0.000 0.885 315 V CB 1.832 33.261 31.823 -0.657 0.000 0.999 315 V HN -0.059 nan 8.190 nan 0.000 0.424 316 Y N 2.937 123.215 120.300 -0.037 0.000 2.341 316 Y HA 0.694 5.240 4.550 -0.007 0.000 0.338 316 Y C -0.091 175.768 175.900 -0.068 0.000 0.965 316 Y CA -0.957 57.110 58.100 -0.056 0.000 1.108 316 Y CB 2.107 40.531 38.460 -0.059 0.000 1.180 316 Y HN 0.348 nan 8.280 nan 0.000 0.458 317 V N 5.588 125.464 119.914 -0.064 0.000 2.444 317 V HA 0.374 4.490 4.120 -0.007 0.000 0.294 317 V C -0.465 175.487 176.094 -0.237 0.000 1.022 317 V CA -0.876 61.269 62.300 -0.258 0.000 0.850 317 V CB 1.564 33.009 31.823 -0.630 0.000 0.992 317 V HN 0.611 nan 8.190 nan 0.000 0.426 318 L N 5.251 126.334 121.223 -0.234 0.000 2.265 318 L HA 0.574 4.910 4.340 -0.007 0.000 0.289 318 L C 0.358 177.116 176.870 -0.186 0.000 1.033 318 L CA -0.179 54.544 54.840 -0.196 0.000 0.814 318 L CB 1.630 43.551 42.059 -0.229 0.000 1.203 318 L HN 0.809 nan 8.230 nan 0.000 0.423 319 T N -1.608 112.873 114.554 -0.122 0.000 3.741 319 T HA 0.343 4.689 4.350 -0.007 0.000 0.242 319 T C 0.630 175.330 174.700 -0.000 0.000 1.042 319 T CA -0.109 61.962 62.100 -0.048 0.000 1.278 319 T CB 0.984 69.823 68.868 -0.048 0.000 0.994 319 T HN 0.539 nan 8.240 nan 0.000 0.594 320 A N 0.798 123.625 122.820 0.011 0.000 2.307 320 A HA 0.762 5.077 4.320 -0.007 0.000 0.218 320 A C 1.399 179.055 177.584 0.119 0.000 1.228 320 A CA 0.138 52.205 52.037 0.050 0.000 0.857 320 A CB -0.730 18.290 19.000 0.034 0.000 0.897 320 A HN 1.752 nan 8.150 nan 0.000 0.495 321 G N -2.668 106.201 108.800 0.115 0.000 2.619 321 G HA2 0.280 4.236 3.960 -0.007 0.000 0.686 321 G HA3 0.280 4.236 3.960 -0.007 0.000 0.686 321 G C 0.725 175.724 174.900 0.165 0.000 1.256 321 G CA -0.279 44.900 45.100 0.132 0.000 0.826 321 G HN 1.258 nan 8.290 nan 0.000 0.619 322 A N -0.307 122.598 122.820 0.141 0.000 1.940 322 A HA 0.172 4.487 4.320 -0.007 0.000 0.219 322 A C 2.649 180.319 177.584 0.143 0.000 1.176 322 A CA 3.314 55.431 52.037 0.133 0.000 0.631 322 A CB -0.390 18.661 19.000 0.086 0.000 0.814 322 A HN 1.605 nan 8.150 nan 0.000 0.446 323 V N -1.070 118.888 119.914 0.073 0.000 2.346 323 V HA -0.194 3.922 4.120 -0.007 0.000 0.244 323 V C 2.216 178.336 176.094 0.043 0.000 1.037 323 V CA 2.141 64.449 62.300 0.013 0.000 1.029 323 V CB -1.018 30.693 31.823 -0.187 0.000 0.663 323 V HN 0.738 nan 8.190 nan 0.000 0.454 324 H N -0.328 118.813 119.070 0.118 0.000 2.502 324 H HA -0.011 4.541 4.556 -0.007 0.000 0.283 324 H C 2.265 177.581 175.328 -0.020 0.000 1.015 324 H CA 0.834 56.905 56.048 0.039 0.000 1.298 324 H CB 0.134 29.902 29.762 0.011 0.000 1.411 324 H HN 0.318 nan 8.280 nan 0.000 0.556 325 N N -0.076 118.697 118.700 0.121 0.000 2.069 325 N HA -0.124 4.611 4.740 -0.007 0.000 0.191 325 N C 1.759 177.243 175.510 -0.042 0.000 1.031 325 N CA 1.809 54.857 53.050 -0.003 0.000 0.852 325 N CB -0.470 38.002 38.487 -0.026 0.000 1.018 325 N HN 0.319 nan 8.380 nan 0.000 0.423 326 T N 0.699 115.310 114.554 0.095 0.000 2.777 326 T HA -0.152 4.194 4.350 -0.007 0.000 0.266 326 T C 1.837 176.384 174.700 -0.256 0.000 1.040 326 T CA 1.021 63.176 62.100 0.092 0.000 1.141 326 T CB -0.193 68.887 68.868 0.353 0.000 0.868 326 T HN 0.342 nan 8.240 nan 0.000 0.444 327 Q N 0.187 119.721 119.800 -0.443 0.000 2.050 327 Q HA -0.121 4.214 4.340 -0.007 0.000 0.202 327 Q C 2.318 178.014 176.000 -0.507 0.000 0.980 327 Q CA 1.182 56.385 55.803 -1.000 0.000 0.840 327 Q CB -0.248 28.252 28.738 -0.397 0.000 0.898 327 Q HN 0.369 nan 8.270 nan 0.000 0.424 328 L N 0.593 121.658 121.223 -0.263 0.000 2.046 328 L HA -0.152 4.184 4.340 -0.007 0.000 0.208 328 L C 2.025 178.774 176.870 -0.202 0.000 1.077 328 L CA 1.562 56.283 54.840 -0.199 0.000 0.747 328 L CB -0.502 41.462 42.059 -0.158 0.000 0.896 328 L HN 0.288 nan 8.230 nan 0.000 0.432 329 L N -1.945 119.132 121.223 -0.243 0.000 2.027 329 L HA -0.182 4.153 4.340 -0.007 0.000 0.206 329 L C 2.418 179.289 176.870 0.002 0.000 1.074 329 L CA 0.972 55.675 54.840 -0.230 0.000 0.745 329 L CB -0.667 41.120 42.059 -0.454 0.000 0.898 329 L HN 0.067 nan 8.230 nan 0.000 0.433 330 V N 0.031 119.883 119.914 -0.103 0.000 2.407 330 V HA -0.283 3.833 4.120 -0.007 0.000 0.248 330 V C 2.110 178.177 176.094 -0.045 0.000 1.055 330 V CA 2.015 64.294 62.300 -0.033 0.000 1.049 330 V CB -0.747 31.017 31.823 -0.098 0.000 0.662 330 V HN 0.490 nan 8.190 nan 0.000 0.455 331 N N 0.006 118.625 118.700 -0.134 0.000 2.520 331 N HA -0.097 4.638 4.740 -0.007 0.000 0.185 331 N C 1.523 176.997 175.510 -0.059 0.000 1.068 331 N CA 1.123 54.115 53.050 -0.097 0.000 0.911 331 N CB -0.046 38.362 38.487 -0.131 0.000 0.961 331 N HN 0.412 nan 8.380 nan 0.000 0.446 332 S N -1.589 114.111 115.700 0.000 0.000 2.540 332 S HA 0.328 4.793 4.470 -0.007 0.000 0.218 332 S C 1.045 175.663 174.600 0.029 0.000 0.977 332 S CA 0.232 58.453 58.200 0.035 0.000 0.918 332 S CB 0.625 63.900 63.200 0.125 0.000 0.806 332 S HN 0.520 nan 8.310 nan 0.000 0.496 333 G N 1.168 109.987 108.800 0.033 0.000 2.141 333 G HA2 -0.230 3.726 3.960 -0.007 0.000 0.231 333 G HA3 -0.230 3.726 3.960 -0.007 0.000 0.231 333 G C -0.063 174.790 174.900 -0.078 0.000 0.984 333 G CA -0.578 44.497 45.100 -0.041 0.000 0.660 333 G HN 0.433 nan 8.290 nan 0.000 0.525 334 F N 0.876 120.815 119.950 -0.019 0.000 2.389 334 F HA 0.505 5.028 4.527 -0.007 0.000 0.337 334 F C 1.658 177.483 175.800 0.040 0.000 1.112 334 F CA 1.050 59.057 58.000 0.012 0.000 1.192 334 F CB 1.051 40.037 39.000 -0.024 0.000 1.185 334 F HN 0.732 nan 8.300 nan 0.000 0.552 335 G N 2.126 111.077 108.800 0.252 0.000 2.566 335 G HA2 -0.308 3.647 3.960 -0.007 0.000 0.280 335 G HA3 -0.308 3.647 3.960 -0.007 0.000 0.280 335 G C -0.738 174.245 174.900 0.138 0.000 1.225 335 G CA 0.080 45.296 45.100 0.193 0.000 0.966 335 G HN 0.816 nan 8.290 nan 0.000 0.560 336 Q N -1.055 118.833 119.800 0.148 0.000 2.274 336 Q HA 0.625 4.961 4.340 -0.007 0.000 0.268 336 Q C -0.995 175.101 176.000 0.159 0.000 1.015 336 Q CA -0.951 54.919 55.803 0.112 0.000 0.775 336 Q CB 1.635 30.418 28.738 0.075 0.000 1.256 336 Q HN 0.823 nan 8.270 nan 0.000 0.442 337 L N 3.558 124.863 121.223 0.136 0.000 2.371 337 L HA 0.803 5.139 4.340 -0.007 0.000 0.272 337 L C 0.340 177.305 176.870 0.159 0.000 1.124 337 L CA 1.852 56.802 54.840 0.183 0.000 0.816 337 L CB 1.080 43.216 42.059 0.128 0.000 1.129 337 L HN 0.827 nan 8.230 nan 0.000 0.448 338 G N 3.585 112.538 108.800 0.254 0.000 2.655 338 G HA2 -0.173 3.782 3.960 -0.007 0.000 0.680 338 G HA3 -0.173 3.782 3.960 -0.007 0.000 0.680 338 G C -0.662 174.155 174.900 -0.139 0.000 1.302 338 G CA -0.347 44.855 45.100 0.171 0.000 0.872 338 G HN 0.883 nan 8.290 nan 0.000 0.540 339 R N 0.804 120.990 120.500 -0.523 0.000 2.484 339 R HA 0.384 4.720 4.340 -0.007 0.000 0.293 339 R C -1.871 173.981 176.300 -0.747 0.000 1.023 339 R CA -0.615 54.720 56.100 -1.275 0.000 1.037 339 R CB 0.010 29.864 30.300 -0.743 0.000 0.951 339 R HN 0.353 nan 8.270 nan 0.000 0.418 340 P HA 0.011 nan 4.420 nan 0.000 0.267 340 P C -1.410 175.725 177.300 -0.274 0.000 1.200 340 P CA 0.033 62.889 63.100 -0.406 0.000 0.772 340 P CB 0.548 32.032 31.700 -0.360 0.000 0.855 341 N N 2.247 120.848 118.700 -0.164 0.000 2.336 341 N HA 0.232 4.968 4.740 -0.007 0.000 0.290 341 N C -2.567 172.898 175.510 -0.075 0.000 1.058 341 N CA -2.092 50.889 53.050 -0.115 0.000 0.865 341 N CB 1.569 39.998 38.487 -0.097 0.000 1.581 341 N HN 0.076 nan 8.380 nan 0.000 0.480 342 P HA -0.065 nan 4.420 nan 0.000 0.219 342 P C 1.122 178.404 177.300 -0.029 0.000 1.150 342 P CA 1.116 64.192 63.100 -0.041 0.000 0.814 342 P CB 0.176 31.853 31.700 -0.038 0.000 0.787 343 T N -0.247 114.288 114.554 -0.033 0.000 2.737 343 T HA -0.167 4.179 4.350 -0.007 0.000 0.269 343 T C 1.062 175.750 174.700 -0.021 0.000 1.040 343 T CA 1.767 63.852 62.100 -0.025 0.000 1.142 343 T CB -0.645 68.207 68.868 -0.027 0.000 0.861 343 T HN 0.174 nan 8.240 nan 0.000 0.456 344 N N 1.223 119.908 118.700 -0.025 0.000 2.727 344 N HA 0.252 4.987 4.740 -0.007 0.000 0.252 344 N C -3.053 172.448 175.510 -0.016 0.000 1.283 344 N CA -1.813 51.226 53.050 -0.018 0.000 0.782 344 N CB 1.339 39.813 38.487 -0.020 0.000 1.199 344 N HN 0.045 nan 8.380 nan 0.000 0.520 345 P HA 0.349 nan 4.420 nan 0.000 0.278 345 P C -2.680 174.631 177.300 0.019 0.000 1.238 345 P CA -1.190 61.913 63.100 0.005 0.000 0.794 345 P CB 0.382 32.089 31.700 0.012 0.000 0.955 346 P HA 0.186 nan 4.420 nan 0.000 0.271 346 P C 0.472 177.800 177.300 0.046 0.000 1.218 346 P CA 0.127 63.253 63.100 0.045 0.000 0.780 346 P CB 1.137 32.881 31.700 0.073 0.000 0.901 347 E N 0.072 120.292 120.200 0.034 0.000 2.276 347 E HA 0.017 4.363 4.350 -0.007 0.000 0.193 347 E C 0.223 176.849 176.600 0.044 0.000 0.983 347 E CA 0.095 56.513 56.400 0.030 0.000 0.861 347 E CB 0.115 29.821 29.700 0.010 0.000 0.817 347 E HN 0.200 nan 8.360 nan 0.000 0.485 348 L N 1.155 122.408 121.223 0.051 0.000 2.272 348 L HA 0.212 4.547 4.340 -0.007 0.000 0.289 348 L C -0.358 176.615 176.870 0.171 0.000 1.032 348 L CA -0.121 54.766 54.840 0.078 0.000 0.810 348 L CB 0.701 42.748 42.059 -0.020 0.000 1.205 348 L HN 0.062 nan 8.230 nan 0.000 0.422 349 L N 7.475 128.832 121.223 0.224 0.000 3.887 349 L HA -0.179 4.157 4.340 -0.007 0.000 0.546 349 L C -1.299 175.692 176.870 0.201 0.000 1.196 349 L CA -0.211 54.782 54.840 0.255 0.000 0.777 349 L CB -0.589 41.685 42.059 0.359 0.000 1.346 349 L HN 0.641 nan 8.230 nan 0.000 0.810 350 P HA -0.120 nan 4.420 nan 0.000 0.222 350 P C 1.211 178.616 177.300 0.175 0.000 1.147 350 P CA 1.054 64.237 63.100 0.138 0.000 0.790 350 P CB 0.300 32.061 31.700 0.103 0.000 0.780 351 S N -0.676 115.147 115.700 0.205 0.000 2.593 351 S HA 0.066 4.532 4.470 -0.007 0.000 0.217 351 S C 0.823 175.593 174.600 0.283 0.000 0.966 351 S CA -0.406 57.963 58.200 0.282 0.000 0.914 351 S CB -0.666 62.685 63.200 0.252 0.000 0.776 351 S HN 0.066 nan 8.310 nan 0.000 0.523 352 L N 2.320 123.688 121.223 0.242 0.000 2.513 352 L HA 0.417 4.753 4.340 -0.007 0.000 0.272 352 L C 1.176 178.196 176.870 0.249 0.000 1.187 352 L CA 1.111 56.096 54.840 0.242 0.000 0.895 352 L CB -0.313 41.881 42.059 0.224 0.000 1.147 352 L HN 0.335 nan 8.230 nan 0.000 0.483 353 G N 2.435 111.390 108.800 0.259 0.000 2.189 353 G HA2 -0.277 3.678 3.960 -0.007 0.000 0.267 353 G HA3 -0.277 3.678 3.960 -0.007 0.000 0.267 353 G C 0.449 175.474 174.900 0.208 0.000 0.975 353 G CA 0.416 45.665 45.100 0.249 0.000 0.644 353 G HN 0.825 nan 8.290 nan 0.000 0.537 354 S N -1.592 114.236 115.700 0.213 0.000 2.718 354 S HA 0.643 5.109 4.470 -0.007 0.000 0.300 354 S C 0.435 175.166 174.600 0.218 0.000 1.117 354 S CA 0.096 58.354 58.200 0.097 0.000 1.002 354 S CB 0.873 64.040 63.200 -0.055 0.000 1.092 354 S HN 0.913 nan 8.310 nan 0.000 0.542 355 Y N -0.981 119.389 120.300 0.117 0.000 4.409 355 Y HA -0.212 4.334 4.550 -0.007 0.000 0.228 355 Y C 0.572 176.557 175.900 0.142 0.000 1.108 355 Y CA 0.263 58.431 58.100 0.113 0.000 1.955 355 Y CB -2.244 36.279 38.460 0.104 0.000 1.615 355 Y HN 0.619 nan 8.280 nan 0.000 0.665 356 I N 0.317 121.040 120.570 0.255 0.000 2.752 356 I HA 0.384 4.549 4.170 -0.007 0.000 0.287 356 I C 0.677 176.969 176.117 0.292 0.000 1.188 356 I CA 0.569 62.023 61.300 0.256 0.000 1.427 356 I CB 1.168 39.317 38.000 0.249 0.000 1.365 356 I HN 0.228 nan 8.210 nan 0.000 0.585 357 T N 2.124 116.813 114.554 0.226 0.000 2.841 357 T HA 0.658 5.004 4.350 -0.007 0.000 0.283 357 T C -0.638 174.099 174.700 0.062 0.000 1.000 357 T CA -0.704 61.520 62.100 0.207 0.000 0.977 357 T CB 2.052 70.993 68.868 0.122 0.000 0.979 357 T HN 0.818 nan 8.240 nan 0.000 0.446 358 E N 1.303 121.513 120.200 0.017 0.000 2.317 358 E HA 0.360 4.705 4.350 -0.007 0.000 0.270 358 E C -1.016 175.712 176.600 0.213 0.000 0.885 358 E CA -0.628 55.739 56.400 -0.055 0.000 0.760 358 E CB 2.007 31.456 29.700 -0.417 0.000 1.227 358 E HN 0.706 nan 8.360 nan 0.000 0.434 359 Q N 1.150 121.077 119.800 0.212 0.000 2.293 359 Q HA 0.412 4.747 4.340 -0.007 0.000 0.251 359 Q C -0.449 175.753 176.000 0.337 0.000 0.930 359 Q CA -0.375 55.600 55.803 0.288 0.000 0.893 359 Q CB 1.261 30.195 28.738 0.328 0.000 1.215 359 Q HN 0.463 nan 8.270 nan 0.000 0.425 360 S N 1.770 117.596 115.700 0.211 0.000 2.564 360 S HA 0.333 4.799 4.470 -0.007 0.000 0.278 360 S C -0.610 174.028 174.600 0.064 0.000 1.333 360 S CA -0.481 57.705 58.200 -0.024 0.000 1.048 360 S CB 0.406 63.499 63.200 -0.179 0.000 0.900 360 S HN 0.391 nan 8.310 nan 0.000 0.505 361 L N 4.370 125.597 121.223 0.007 0.000 2.438 361 L HA 0.702 5.038 4.340 -0.007 0.000 0.270 361 L C -0.843 175.863 176.870 -0.272 0.000 0.972 361 L CA -0.666 54.073 54.840 -0.167 0.000 0.831 361 L CB 1.620 43.564 42.059 -0.191 0.000 1.273 361 L HN 0.479 nan 8.230 nan 0.000 0.405 362 V N 2.000 121.672 119.914 -0.403 0.000 2.667 362 V HA 0.752 4.868 4.120 -0.007 0.000 0.308 362 V C -0.950 175.006 176.094 -0.230 0.000 1.048 362 V CA -0.687 61.300 62.300 -0.522 0.000 0.928 362 V CB 1.652 32.978 31.823 -0.829 0.000 1.004 362 V HN 0.816 nan 8.190 nan 0.000 0.444 363 F N 4.577 124.323 119.950 -0.341 0.000 2.591 363 F HA 0.855 5.374 4.527 -0.014 0.000 0.309 363 F C -0.341 175.339 175.800 -0.200 0.000 1.098 363 F CA -0.288 57.597 58.000 -0.192 0.000 0.937 363 F CB 1.495 40.422 39.000 -0.122 0.000 1.250 363 F HN 1.182 nan 8.300 nan 0.000 0.447 364 C N 2.862 121.595 119.300 -0.945 0.000 3.340 364 C HA 0.819 5.275 4.460 -0.007 0.000 0.333 364 C C -1.536 172.895 174.990 -0.932 0.000 1.464 364 C CA -0.684 57.716 59.018 -1.029 0.000 1.337 364 C CB 1.737 29.101 27.740 -0.627 0.000 1.740 364 C HN 0.946 nan 8.230 nan 0.000 0.450 365 Q N 0.520 120.015 119.800 -0.508 0.000 2.387 365 Q HA 0.746 5.081 4.340 -0.007 0.000 0.273 365 Q C -0.502 175.522 176.000 0.041 0.000 1.089 365 Q CA -0.230 55.506 55.803 -0.112 0.000 0.824 365 Q CB 2.642 31.319 28.738 -0.101 0.000 1.367 365 Q HN 0.935 nan 8.270 nan 0.000 0.443 366 T N -2.577 112.079 114.554 0.170 0.000 2.932 366 T HA 0.697 5.043 4.350 -0.007 0.000 0.289 366 T C -0.518 174.235 174.700 0.088 0.000 1.039 366 T CA -0.726 61.439 62.100 0.109 0.000 1.024 366 T CB 1.232 70.168 68.868 0.113 0.000 1.090 366 T HN 0.260 nan 8.240 nan 0.000 0.496 367 V N 2.674 122.609 119.914 0.034 0.000 2.357 367 V HA 0.388 4.504 4.120 -0.007 0.000 0.284 367 V C 0.286 176.392 176.094 0.020 0.000 1.018 367 V CA -0.908 61.408 62.300 0.027 0.000 0.841 367 V CB 1.110 32.938 31.823 0.008 0.000 0.991 367 V HN 1.016 nan 8.190 nan 0.000 0.437 368 M N 4.847 124.471 119.600 0.040 0.000 2.248 368 M HA 0.075 4.551 4.480 -0.007 0.000 0.343 368 M C 0.886 177.196 176.300 0.016 0.000 1.243 368 M CA 0.770 56.095 55.300 0.041 0.000 1.025 368 M CB 0.589 33.216 32.600 0.046 0.000 1.759 368 M HN 0.929 nan 8.290 nan 0.000 0.452 369 S N 2.418 118.124 115.700 0.010 0.000 2.584 369 S HA 0.126 4.591 4.470 -0.007 0.000 0.270 369 S C 0.994 175.596 174.600 0.004 0.000 1.346 369 S CA -0.182 58.013 58.200 -0.008 0.000 1.018 369 S CB 0.681 63.869 63.200 -0.020 0.000 0.899 369 S HN 0.788 nan 8.310 nan 0.000 0.542 370 T N 1.159 115.711 114.554 -0.002 0.000 2.746 370 T HA -0.139 4.207 4.350 -0.007 0.000 0.267 370 T C 1.645 176.353 174.700 0.013 0.000 1.039 370 T CA 1.741 63.845 62.100 0.006 0.000 1.142 370 T CB -0.571 68.297 68.868 0.000 0.000 0.866 370 T HN 0.863 nan 8.240 nan 0.000 0.444 371 E N 0.632 120.835 120.200 0.005 0.000 2.070 371 E HA -0.147 4.199 4.350 -0.007 0.000 0.197 371 E C 2.121 178.737 176.600 0.027 0.000 1.004 371 E CA 1.080 57.485 56.400 0.009 0.000 0.805 371 E CB -0.225 29.472 29.700 -0.005 0.000 0.744 371 E HN 0.435 nan 8.360 nan 0.000 0.451 372 L N 0.508 121.750 121.223 0.032 0.000 2.027 372 L HA -0.179 4.156 4.340 -0.007 0.000 0.206 372 L C 2.530 179.444 176.870 0.074 0.000 1.074 372 L CA 0.460 55.334 54.840 0.057 0.000 0.745 372 L CB -0.366 41.727 42.059 0.058 0.000 0.898 372 L HN 0.300 nan 8.230 nan 0.000 0.433 373 I N 0.099 120.701 120.570 0.053 0.000 2.208 373 I HA -0.299 3.867 4.170 -0.007 0.000 0.245 373 I C 2.168 178.321 176.117 0.059 0.000 1.097 373 I CA 1.560 62.889 61.300 0.048 0.000 1.363 373 I CB -1.146 36.873 38.000 0.031 0.000 1.051 373 I HN 0.281 nan 8.210 nan 0.000 0.413 374 D N 0.663 121.095 120.400 0.054 0.000 2.144 374 D HA -0.134 4.502 4.640 -0.007 0.000 0.199 374 D C 2.391 178.740 176.300 0.082 0.000 0.984 374 D CA 1.688 55.723 54.000 0.058 0.000 0.834 374 D CB -0.105 40.719 40.800 0.041 0.000 0.955 374 D HN 0.382 nan 8.370 nan 0.000 0.465 375 S N -0.036 115.721 115.700 0.095 0.000 2.399 375 S HA -0.124 4.341 4.470 -0.007 0.000 0.231 375 S C 2.206 176.950 174.600 0.240 0.000 1.022 375 S CA 0.855 59.139 58.200 0.140 0.000 0.983 375 S CB -0.622 62.646 63.200 0.113 0.000 0.803 375 S HN 0.087 nan 8.310 nan 0.000 0.480 376 V N 3.214 123.256 119.914 0.214 0.000 2.324 376 V HA -0.201 3.915 4.120 -0.007 0.000 0.250 376 V C 2.192 178.380 176.094 0.157 0.000 1.060 376 V CA 2.250 64.699 62.300 0.249 0.000 1.042 376 V CB -0.844 31.037 31.823 0.096 0.000 0.650 376 V HN 0.814 nan 8.190 nan 0.000 0.450 377 K N 0.431 120.899 120.400 0.113 0.000 2.493 377 K HA 0.189 4.505 4.320 -0.007 0.000 0.207 377 K C 1.551 178.211 176.600 0.100 0.000 1.033 377 K CA 0.683 57.021 56.287 0.084 0.000 1.161 377 K CB 0.183 32.721 32.500 0.064 0.000 0.873 377 K HN 0.440 nan 8.250 nan 0.000 0.491 378 S N 0.659 116.448 115.700 0.148 0.000 2.447 378 S HA -0.136 4.329 4.470 -0.007 0.000 0.233 378 S C 0.954 175.602 174.600 0.080 0.000 1.006 378 S CA 1.071 59.335 58.200 0.106 0.000 0.957 378 S CB -0.166 63.092 63.200 0.097 0.000 0.773 378 S HN 0.288 nan 8.310 nan 0.000 0.507 379 D N 0.793 121.257 120.400 0.108 0.000 2.350 379 D HA 0.210 4.846 4.640 -0.007 0.000 0.213 379 D C 0.156 176.523 176.300 0.112 0.000 1.031 379 D CA 0.291 54.346 54.000 0.092 0.000 0.861 379 D CB -0.008 40.853 40.800 0.101 0.000 0.926 379 D HN 0.381 nan 8.370 nan 0.000 0.520 380 M N 0.691 120.348 119.600 0.094 0.000 2.216 380 M HA 0.188 4.664 4.480 -0.007 0.000 0.356 380 M C 0.246 176.581 176.300 0.059 0.000 1.205 380 M CA 0.030 55.386 55.300 0.094 0.000 1.122 380 M CB 0.902 33.543 32.600 0.068 0.000 1.571 380 M HN -0.325 nan 8.290 nan 0.000 0.464 381 T N 4.873 119.453 114.554 0.044 0.000 2.743 381 T HA 0.617 4.963 4.350 -0.007 0.000 0.293 381 T C 0.217 174.901 174.700 -0.026 0.000 0.945 381 T CA -0.253 61.852 62.100 0.009 0.000 1.030 381 T CB 0.236 69.104 68.868 -0.000 0.000 0.912 381 T HN 0.431 nan 8.240 nan 0.000 0.483 382 I N 4.012 124.567 120.570 -0.025 0.000 2.389 382 I HA 0.501 4.666 4.170 -0.007 0.000 0.288 382 I C 0.261 176.353 176.117 -0.042 0.000 0.999 382 I CA -0.766 60.496 61.300 -0.062 0.000 1.129 382 I CB 1.529 39.534 38.000 0.009 0.000 1.288 382 I HN 0.328 nan 8.210 nan 0.000 0.444 383 R N 3.723 124.165 120.500 -0.098 0.000 2.686 383 R HA 0.729 5.065 4.340 -0.007 0.000 0.283 383 R C 0.008 176.335 176.300 0.046 0.000 0.978 383 R CA -0.539 55.547 56.100 -0.023 0.000 0.897 383 R CB 2.247 32.525 30.300 -0.037 0.000 1.192 383 R HN 0.870 nan 8.270 nan 0.000 0.457 384 G N 0.965 109.832 108.800 0.111 0.000 2.645 384 G HA2 -0.258 3.697 3.960 -0.007 0.000 0.239 384 G HA3 -0.258 3.697 3.960 -0.007 0.000 0.239 384 G C -0.861 174.212 174.900 0.289 0.000 1.331 384 G CA -0.477 44.733 45.100 0.183 0.000 0.890 384 G HN 0.525 nan 8.290 nan 0.000 0.572 385 T N 2.915 117.599 114.554 0.217 0.000 2.807 385 T HA 0.633 4.979 4.350 -0.007 0.000 0.279 385 T C -2.581 171.953 174.700 -0.276 0.000 0.993 385 T CA -0.724 61.391 62.100 0.025 0.000 0.970 385 T CB 2.138 70.999 68.868 -0.012 0.000 0.950 385 T HN 0.528 nan 8.240 nan 0.000 0.441 386 P HA 0.174 nan 4.420 nan 0.000 0.261 386 P C 1.108 178.136 177.300 -0.453 0.000 1.173 386 P CA 1.138 63.581 63.100 -1.094 0.000 0.760 386 P CB 0.195 31.471 31.700 -0.706 0.000 0.783 387 G N 1.688 110.286 108.800 -0.337 0.000 2.195 387 G HA2 -0.226 3.730 3.960 -0.007 0.000 0.246 387 G HA3 -0.226 3.730 3.960 -0.007 0.000 0.246 387 G C 0.040 174.905 174.900 -0.059 0.000 0.984 387 G CA -0.233 44.788 45.100 -0.132 0.000 0.633 387 G HN 0.553 nan 8.290 nan 0.000 0.525 388 E N -0.206 119.969 120.200 -0.043 0.000 2.283 388 E HA 0.583 4.928 4.350 -0.007 0.000 0.267 388 E C 1.499 178.138 176.600 0.064 0.000 1.045 388 E CA -0.682 55.728 56.400 0.017 0.000 0.884 388 E CB 1.014 30.729 29.700 0.025 0.000 1.106 388 E HN 0.134 nan 8.360 nan 0.000 0.408 389 L N 0.786 122.038 121.223 0.048 0.000 2.127 389 L HA -0.197 4.139 4.340 -0.007 0.000 0.211 389 L C 2.263 179.173 176.870 0.066 0.000 1.089 389 L CA 1.645 56.515 54.840 0.050 0.000 0.757 389 L CB -0.745 41.333 42.059 0.031 0.000 0.899 389 L HN 0.660 nan 8.230 nan 0.000 0.434 390 T N -4.953 109.648 114.554 0.079 0.000 3.086 390 T HA -0.037 4.308 4.350 -0.007 0.000 0.250 390 T C 0.449 175.211 174.700 0.103 0.000 1.074 390 T CA -0.355 61.787 62.100 0.070 0.000 0.988 390 T CB -0.352 68.548 68.868 0.054 0.000 0.988 390 T HN 0.113 nan 8.240 nan 0.000 0.530 391 Y N 3.786 124.088 120.300 0.002 0.000 2.526 391 Y HA 0.410 4.956 4.550 -0.007 0.000 0.330 391 Y C 0.257 176.159 175.900 0.004 0.000 1.156 391 Y CA -0.346 57.757 58.100 0.004 0.000 1.419 391 Y CB 0.397 38.858 38.460 0.003 0.000 1.250 391 Y HN 0.378 nan 8.280 nan 0.000 0.540 392 S N 4.482 119.822 115.700 -0.601 0.000 2.537 392 S HA 0.796 5.262 4.470 -0.007 0.000 0.270 392 S C -2.011 172.253 174.600 -0.559 0.000 1.142 392 S CA -0.931 56.975 58.200 -0.490 0.000 0.870 392 S CB 1.469 64.549 63.200 -0.201 0.000 1.112 392 S HN 0.521 nan 8.310 nan 0.000 0.466 393 V N 2.493 122.198 119.914 -0.348 0.000 2.482 393 V HA 0.797 4.913 4.120 -0.007 0.000 0.295 393 V C -0.213 175.851 176.094 -0.050 0.000 1.026 393 V CA -0.073 62.111 62.300 -0.192 0.000 0.856 393 V CB 1.367 33.107 31.823 -0.138 0.000 1.001 393 V HN 1.249 nan 8.190 nan 0.000 0.424 394 T N 1.787 116.341 114.554 0.001 0.000 2.896 394 T HA 0.868 5.214 4.350 -0.007 0.000 0.297 394 T C -1.003 173.785 174.700 0.147 0.000 1.108 394 T CA -0.768 61.360 62.100 0.046 0.000 1.004 394 T CB 2.291 71.140 68.868 -0.032 0.000 1.159 394 T HN 0.827 nan 8.240 nan 0.000 0.499 395 Y N -1.522 118.773 120.300 -0.009 0.000 2.638 395 Y HA 0.782 5.328 4.550 -0.007 0.000 0.339 395 Y C -0.839 175.062 175.900 0.001 0.000 1.084 395 Y CA -1.236 56.864 58.100 0.001 0.000 1.068 395 Y CB 1.202 39.672 38.460 0.018 0.000 1.294 395 Y HN 0.606 nan 8.280 nan 0.000 0.480 396 T N 4.195 118.708 114.554 -0.069 0.000 2.781 396 T HA 0.354 4.699 4.350 -0.007 0.000 0.305 396 T C -2.773 171.879 174.700 -0.080 0.000 1.001 396 T CA -1.367 60.644 62.100 -0.148 0.000 0.950 396 T CB 0.567 69.410 68.868 -0.040 0.000 0.955 396 T HN 0.354 nan 8.240 nan 0.000 0.471 397 P HA 0.174 nan 4.420 nan 0.000 0.261 397 P C 1.124 178.457 177.300 0.055 0.000 1.183 397 P CA 0.902 64.007 63.100 0.008 0.000 0.761 397 P CB 0.307 31.966 31.700 -0.069 0.000 0.785 398 G N 2.381 111.246 108.800 0.108 0.000 2.179 398 G HA2 -0.254 3.701 3.960 -0.007 0.000 0.260 398 G HA3 -0.254 3.701 3.960 -0.007 0.000 0.260 398 G C 0.486 175.410 174.900 0.040 0.000 0.977 398 G CA 0.007 45.145 45.100 0.063 0.000 0.641 398 G HN 0.860 nan 8.290 nan 0.000 0.533 399 A N 0.736 123.582 122.820 0.043 0.000 2.548 399 A HA 0.571 4.886 4.320 -0.007 0.000 0.247 399 A C 1.765 179.354 177.584 0.008 0.000 1.067 399 A CA 1.403 53.454 52.037 0.023 0.000 0.757 399 A CB 0.203 19.221 19.000 0.029 0.000 0.996 399 A HN 1.750 nan 8.150 nan 0.000 0.504 400 S N 1.730 117.428 115.700 -0.003 0.000 2.453 400 S HA -0.152 4.313 4.470 -0.007 0.000 0.231 400 S C 1.534 176.116 174.600 -0.031 0.000 1.005 400 S CA 1.445 59.636 58.200 -0.016 0.000 0.949 400 S CB -0.898 62.294 63.200 -0.013 0.000 0.774 400 S HN 1.138 nan 8.310 nan 0.000 0.510 401 T N -0.276 114.262 114.554 -0.026 0.000 3.072 401 T HA 0.088 4.434 4.350 -0.007 0.000 0.266 401 T C 0.564 175.230 174.700 -0.056 0.000 1.127 401 T CA -0.009 62.069 62.100 -0.038 0.000 1.107 401 T CB -0.718 68.135 68.868 -0.024 0.000 0.910 401 T HN 0.242 nan 8.240 nan 0.000 0.513 402 N N 2.044 120.717 118.700 -0.046 0.000 2.454 402 N HA 0.157 4.893 4.740 -0.007 0.000 0.254 402 N C 0.866 176.267 175.510 -0.181 0.000 1.228 402 N CA 0.003 53.010 53.050 -0.072 0.000 0.900 402 N CB 0.874 39.349 38.487 -0.019 0.000 1.089 402 N HN 0.381 nan 8.380 nan 0.000 0.449 403 K N 1.160 121.365 120.400 -0.325 0.000 2.356 403 K HA 0.039 4.355 4.320 -0.007 0.000 0.195 403 K C -0.348 175.737 176.600 -0.859 0.000 1.037 403 K CA 0.515 56.451 56.287 -0.584 0.000 1.014 403 K CB 0.124 32.203 32.500 -0.702 0.000 0.815 403 K HN 0.609 nan 8.250 nan 0.000 0.507 404 H N -0.057 118.741 119.070 -0.453 0.000 2.747 404 H HA 0.262 4.813 4.556 -0.007 0.000 0.371 404 H C -2.490 172.585 175.328 -0.422 0.000 1.161 404 H CA -2.209 53.438 56.048 -0.669 0.000 1.167 404 H CB 1.370 30.397 29.762 -1.224 0.000 1.732 404 H HN -0.112 nan 8.280 nan 0.000 0.544 405 P HA 0.001 nan 4.420 nan 0.000 0.274 405 P C -0.036 177.162 177.300 -0.170 0.000 1.246 405 P CA -0.311 62.690 63.100 -0.165 0.000 0.795 405 P CB 1.334 32.974 31.700 -0.100 0.000 1.006 406 D N 0.252 120.670 120.400 0.029 0.000 2.133 406 D HA -0.175 4.461 4.640 -0.007 0.000 0.195 406 D C 1.919 178.274 176.300 0.092 0.000 0.997 406 D CA 1.437 55.511 54.000 0.123 0.000 0.840 406 D CB -0.645 40.303 40.800 0.246 0.000 0.947 406 D HN 0.622 nan 8.370 nan 0.000 0.452 407 W N 0.438 121.812 121.300 0.123 0.000 2.338 407 W HA -0.189 4.466 4.660 -0.008 0.000 0.304 407 W C 2.012 178.598 176.519 0.111 0.000 1.212 407 W CA 0.429 57.839 57.345 0.108 0.000 1.264 407 W CB -1.353 28.169 29.460 0.102 0.000 1.142 407 W HN 0.093 nan 8.180 nan 0.000 0.512 408 W N 3.314 124.124 121.300 -0.818 0.000 2.378 408 W HA -0.180 4.476 4.660 -0.007 0.000 0.313 408 W C 1.935 178.146 176.519 -0.513 0.000 1.197 408 W CA 1.846 58.681 57.345 -0.850 0.000 1.304 408 W CB -1.005 27.757 29.460 -1.164 0.000 1.148 408 W HN -0.089 nan 8.180 nan 0.000 0.494 409 N N 0.803 119.383 118.700 -0.200 0.000 2.223 409 N HA -0.170 4.565 4.740 -0.007 0.000 0.185 409 N C 1.518 176.696 175.510 -0.553 0.000 1.016 409 N CA 1.421 54.135 53.050 -0.561 0.000 0.863 409 N CB -0.603 37.128 38.487 -1.259 0.000 0.983 409 N HN 0.170 nan 8.380 nan 0.000 0.429 410 E N 1.372 121.417 120.200 -0.258 0.000 2.031 410 E HA -0.114 4.232 4.350 -0.007 0.000 0.193 410 E C 1.796 178.408 176.600 0.020 0.000 0.994 410 E CA 0.890 57.314 56.400 0.040 0.000 0.800 410 E CB -0.060 29.735 29.700 0.159 0.000 0.752 410 E HN 0.203 nan 8.360 nan 0.000 0.447 411 K N 0.429 120.825 120.400 -0.006 0.000 2.032 411 K HA -0.107 4.208 4.320 -0.007 0.000 0.209 411 K C 2.298 178.855 176.600 -0.072 0.000 1.048 411 K CA 0.864 57.136 56.287 -0.025 0.000 0.927 411 K CB -0.775 31.693 32.500 -0.052 0.000 0.712 411 K HN 0.053 nan 8.250 nan 0.000 0.441 412 V N 1.869 121.684 119.914 -0.165 0.000 2.307 412 V HA -0.226 3.890 4.120 -0.007 0.000 0.245 412 V C 2.623 178.708 176.094 -0.014 0.000 1.045 412 V CA 1.803 64.020 62.300 -0.138 0.000 1.024 412 V CB -0.443 31.262 31.823 -0.197 0.000 0.651 412 V HN 0.393 nan 8.190 nan 0.000 0.449 413 K N 0.266 120.660 120.400 -0.010 0.000 2.032 413 K HA -0.252 4.064 4.320 -0.007 0.000 0.209 413 K C 2.027 178.665 176.600 0.065 0.000 1.048 413 K CA 2.070 58.394 56.287 0.062 0.000 0.927 413 K CB -0.257 32.341 32.500 0.163 0.000 0.712 413 K HN 0.425 nan 8.250 nan 0.000 0.441 414 N N 0.274 119.015 118.700 0.068 0.000 2.142 414 N HA -0.177 4.558 4.740 -0.007 0.000 0.186 414 N C 1.785 177.325 175.510 0.049 0.000 1.023 414 N CA 1.341 54.426 53.050 0.057 0.000 0.852 414 N CB -0.592 37.936 38.487 0.068 0.000 0.998 414 N HN 0.424 nan 8.380 nan 0.000 0.424 415 H N 0.845 119.910 119.070 -0.009 0.000 2.290 415 H HA 0.069 4.621 4.556 -0.007 0.000 0.298 415 H C 2.125 177.465 175.328 0.020 0.000 1.087 415 H CA 1.827 57.869 56.048 -0.011 0.000 1.291 415 H CB -0.105 29.572 29.762 -0.141 0.000 1.369 415 H HN 0.089 nan 8.280 nan 0.000 0.492 416 M N -0.875 118.739 119.600 0.023 0.000 2.159 416 M HA -0.170 4.305 4.480 -0.007 0.000 0.263 416 M C 1.788 178.129 176.300 0.068 0.000 1.063 416 M CA 1.233 56.560 55.300 0.046 0.000 1.110 416 M CB 0.005 32.679 32.600 0.124 0.000 1.374 416 M HN 0.369 nan 8.290 nan 0.000 0.411 417 M N -0.535 119.087 119.600 0.037 0.000 2.287 417 M HA -0.067 4.409 4.480 -0.007 0.000 0.266 417 M C 1.894 178.170 176.300 -0.039 0.000 1.079 417 M CA 1.522 56.854 55.300 0.054 0.000 1.146 417 M CB -0.880 31.736 32.600 0.026 0.000 1.374 417 M HN 0.311 nan 8.290 nan 0.000 0.435 418 Q N -0.814 118.896 119.800 -0.150 0.000 2.378 418 Q HA -0.059 4.277 4.340 -0.007 0.000 0.205 418 Q C 0.044 175.683 176.000 -0.602 0.000 0.954 418 Q CA 0.739 56.342 55.803 -0.334 0.000 0.901 418 Q CB 0.333 28.850 28.738 -0.368 0.000 0.981 418 Q HN 0.529 nan 8.270 nan 0.000 0.483 419 H N 0.140 119.102 119.070 -0.180 0.000 2.439 419 H HA 0.195 4.748 4.556 -0.006 0.000 0.230 419 H C 0.149 175.390 175.328 -0.145 0.000 1.420 419 H CA -0.086 55.854 56.048 -0.181 0.000 1.305 419 H CB 0.522 30.045 29.762 -0.398 0.000 1.667 419 H HN 0.246 nan 8.280 nan 0.000 0.515 420 Q N 0.535 120.321 119.800 -0.024 0.000 2.436 420 Q HA -0.106 4.229 4.340 -0.007 0.000 0.209 420 Q C 1.910 177.881 176.000 -0.048 0.000 0.965 420 Q CA 0.784 56.549 55.803 -0.064 0.000 0.910 420 Q CB 0.439 29.107 28.738 -0.117 0.000 0.980 420 Q HN 0.523 nan 8.270 nan 0.000 0.491 421 E N 1.117 121.333 120.200 0.026 0.000 2.347 421 E HA -0.130 4.216 4.350 -0.007 0.000 0.196 421 E C -0.288 176.357 176.600 0.077 0.000 1.008 421 E CA 0.663 57.090 56.400 0.044 0.000 0.852 421 E CB 0.012 29.756 29.700 0.073 0.000 0.783 421 E HN 0.153 nan 8.360 nan 0.000 0.505 422 D N 1.996 122.464 120.400 0.113 0.000 2.249 422 D HA 0.130 4.766 4.640 -0.007 0.000 0.246 422 D C -1.641 174.722 176.300 0.106 0.000 1.114 422 D CA -2.196 51.900 54.000 0.161 0.000 0.854 422 D CB 1.642 42.601 40.800 0.264 0.000 1.132 422 D HN -0.141 nan 8.370 nan 0.000 0.461 423 P HA 0.106 nan 4.420 nan 0.000 0.255 423 P C -0.216 177.132 177.300 0.080 0.000 1.248 423 P CA 0.113 63.254 63.100 0.069 0.000 0.807 423 P CB 0.421 32.152 31.700 0.051 0.000 1.150 424 L N 1.961 123.247 121.223 0.105 0.000 2.331 424 L HA 0.379 4.715 4.340 -0.007 0.000 0.275 424 L C -1.420 175.484 176.870 0.058 0.000 1.022 424 L CA -2.240 52.635 54.840 0.059 0.000 0.812 424 L CB 2.396 44.469 42.059 0.024 0.000 1.257 424 L HN -0.284 nan 8.230 nan 0.000 0.435 425 P HA 0.129 nan 4.420 nan 0.000 0.255 425 P C 0.075 177.240 177.300 -0.225 0.000 1.248 425 P CA 0.407 63.498 63.100 -0.015 0.000 0.807 425 P CB 0.364 32.058 31.700 -0.011 0.000 1.150 426 I N 2.000 122.351 120.570 -0.365 0.000 2.342 426 I HA 0.274 4.439 4.170 -0.007 0.000 0.291 426 I C -2.228 173.389 176.117 -0.833 0.000 1.010 426 I CA -2.941 58.077 61.300 -0.470 0.000 1.308 426 I CB 1.136 38.964 38.000 -0.287 0.000 1.400 426 I HN -0.262 nan 8.210 nan 0.000 0.488 427 P HA 0.032 nan 4.420 nan 0.000 0.269 427 P C 0.297 177.335 177.300 -0.437 0.000 1.209 427 P CA -0.059 62.634 63.100 -0.678 0.000 0.776 427 P CB 0.352 31.896 31.700 -0.260 0.000 0.876 428 F N 0.810 120.647 119.950 -0.189 0.000 2.120 428 F HA -0.156 4.367 4.527 -0.007 0.000 0.300 428 F C 1.686 177.456 175.800 -0.050 0.000 1.095 428 F CA 1.644 59.588 58.000 -0.094 0.000 1.249 428 F CB -1.047 37.921 39.000 -0.055 0.000 0.995 428 F HN 0.420 nan 8.300 nan 0.000 0.480 429 E N -0.372 119.916 120.200 0.147 0.000 2.419 429 E HA 0.004 4.350 4.350 -0.007 0.000 0.190 429 E C -0.253 176.379 176.600 0.054 0.000 1.040 429 E CA -0.267 56.194 56.400 0.100 0.000 0.900 429 E CB -0.234 29.523 29.700 0.095 0.000 1.054 429 E HN 0.175 nan 8.360 nan 0.000 0.462 430 D N 2.521 122.932 120.400 0.018 0.000 2.487 430 D HA 0.002 4.638 4.640 -0.007 0.000 0.243 430 D C -2.262 174.076 176.300 0.062 0.000 1.154 430 D CA -1.360 52.642 54.000 0.003 0.000 0.876 430 D CB 0.741 41.505 40.800 -0.059 0.000 1.161 430 D HN -0.108 nan 8.370 nan 0.000 0.478 431 P HA 0.057 nan 4.420 nan 0.000 0.271 431 P C -0.393 177.051 177.300 0.239 0.000 1.233 431 P CA -0.305 62.907 63.100 0.187 0.000 0.789 431 P CB 0.365 32.170 31.700 0.176 0.000 0.951 432 E N 2.217 122.588 120.200 0.285 0.000 2.374 432 E HA 0.220 4.566 4.350 -0.007 0.000 0.260 432 E C -2.452 174.216 176.600 0.115 0.000 1.101 432 E CA -2.090 54.404 56.400 0.157 0.000 0.907 432 E CB -0.690 29.071 29.700 0.101 0.000 1.014 432 E HN 0.242 nan 8.360 nan 0.000 0.427 433 P HA 0.049 nan 4.420 nan 0.000 0.271 433 P C -0.540 176.786 177.300 0.043 0.000 1.218 433 P CA 0.034 63.224 63.100 0.149 0.000 0.780 433 P CB 0.459 32.194 31.700 0.059 0.000 0.901 434 Q N 1.277 121.198 119.800 0.202 0.000 3.484 434 Q HA 0.317 4.652 4.340 -0.007 0.000 0.255 434 Q C -0.951 175.149 176.000 0.166 0.000 0.909 434 Q CA -0.370 55.429 55.803 -0.006 0.000 0.774 434 Q CB 1.271 29.757 28.738 -0.421 0.000 1.431 434 Q HN 0.201 nan 8.270 nan 0.000 0.423 435 V N 0.549 120.508 119.914 0.075 0.000 2.581 435 V HA 0.742 4.858 4.120 -0.007 0.000 0.303 435 V C 0.133 176.235 176.094 0.013 0.000 1.041 435 V CA -0.489 61.846 62.300 0.059 0.000 0.907 435 V CB 2.081 33.878 31.823 -0.043 0.000 0.994 435 V HN 0.457 nan 8.190 nan 0.000 0.442 436 T N 1.560 116.151 114.554 0.061 0.000 2.916 436 T HA 0.484 4.829 4.350 -0.007 0.000 0.305 436 T C -0.910 173.752 174.700 -0.063 0.000 1.119 436 T CA -0.309 61.778 62.100 -0.022 0.000 1.008 436 T CB 1.864 70.710 68.868 -0.038 0.000 1.129 436 T HN 0.835 nan 8.240 nan 0.000 0.480 437 T N 4.689 119.087 114.554 -0.260 0.000 2.772 437 T HA 0.595 4.940 4.350 -0.007 0.000 0.288 437 T C -0.039 174.537 174.700 -0.206 0.000 0.994 437 T CA -0.606 61.188 62.100 -0.511 0.000 0.951 437 T CB -0.162 67.992 68.868 -1.191 0.000 0.933 437 T HN 0.516 nan 8.240 nan 0.000 0.447 438 L N 4.708 125.878 121.223 -0.089 0.000 2.467 438 L HA 0.361 4.697 4.340 -0.007 0.000 0.270 438 L C 0.810 177.689 176.870 0.014 0.000 1.205 438 L CA -0.827 54.037 54.840 0.040 0.000 0.828 438 L CB 0.239 42.313 42.059 0.025 0.000 1.101 438 L HN 0.672 nan 8.230 nan 0.000 0.479 439 F N 3.030 122.907 119.950 -0.122 0.000 2.537 439 F HA -0.153 4.370 4.527 -0.008 0.000 0.402 439 F C 0.428 175.949 175.800 -0.464 0.000 1.005 439 F CA 0.668 58.492 58.000 -0.293 0.000 1.203 439 F CB 0.174 39.054 39.000 -0.199 0.000 0.955 439 F HN 0.452 nan 8.300 nan 0.000 0.547 440 Q N 6.494 125.765 119.800 -0.881 0.000 2.495 440 Q HA 0.241 4.577 4.340 -0.007 0.000 0.287 440 Q C -1.963 173.604 176.000 -0.722 0.000 1.078 440 Q CA -1.763 53.638 55.803 -0.669 0.000 0.793 440 Q CB 1.421 29.673 28.738 -0.809 0.000 1.459 440 Q HN 0.263 nan 8.270 nan 0.000 0.422 441 P HA -0.217 nan 4.420 nan 0.000 0.217 441 P C 1.175 178.262 177.300 -0.355 0.000 1.151 441 P CA 2.164 65.099 63.100 -0.276 0.000 0.849 441 P CB 0.210 31.835 31.700 -0.124 0.000 0.787 442 S N -1.897 113.603 115.700 -0.334 0.000 2.527 442 S HA -0.079 4.387 4.470 -0.007 0.000 0.222 442 S C 0.526 174.962 174.600 -0.274 0.000 0.985 442 S CA 0.099 58.184 58.200 -0.192 0.000 0.921 442 S CB -1.196 61.992 63.200 -0.021 0.000 0.772 442 S HN 0.440 nan 8.310 nan 0.000 0.529 443 H N -1.244 117.392 119.070 -0.723 0.000 2.562 443 H HA 0.460 5.011 4.556 -0.008 0.000 0.230 443 H C -3.230 170.950 175.328 -1.913 0.000 1.415 443 H CA -1.764 53.476 56.048 -1.347 0.000 1.454 443 H CB 0.439 29.698 29.762 -0.839 0.000 1.716 443 H HN 0.064 nan 8.280 nan 0.000 0.538 444 P HA 0.075 nan 4.420 nan 0.000 0.226 444 P C -1.253 175.371 177.300 -1.126 0.000 1.783 444 P CA 0.229 62.158 63.100 -1.952 0.000 0.980 444 P CB -1.065 30.059 31.700 -0.960 0.000 1.967 445 W N -0.262 120.681 121.300 -0.596 0.000 3.213 445 W HA 0.512 5.170 4.660 -0.004 0.000 0.318 445 W C -0.844 175.766 176.519 0.152 0.000 1.248 445 W CA -1.261 56.095 57.345 0.019 0.000 1.187 445 W CB 0.050 29.557 29.460 0.077 0.000 1.403 445 W HN -0.008 nan 8.180 nan 0.000 0.556 446 H N 1.060 120.395 119.070 0.442 0.000 2.505 446 H HA 0.713 5.264 4.556 -0.007 0.000 0.355 446 H C -0.141 175.336 175.328 0.248 0.000 1.179 446 H CA 0.572 56.770 56.048 0.251 0.000 1.343 446 H CB 1.458 31.297 29.762 0.128 0.000 1.501 446 H HN 0.576 nan 8.280 nan 0.000 0.569 447 T N 1.724 115.906 114.554 -0.621 0.000 2.912 447 T HA 0.499 4.845 4.350 -0.007 0.000 0.299 447 T C -0.817 173.570 174.700 -0.522 0.000 1.052 447 T CA -1.117 60.650 62.100 -0.556 0.000 0.996 447 T CB 1.651 70.069 68.868 -0.751 0.000 1.070 447 T HN 0.654 nan 8.240 nan 0.000 0.465 448 Q N 1.676 121.388 119.800 -0.147 0.000 2.274 448 Q HA 0.575 4.911 4.340 -0.007 0.000 0.268 448 Q C -1.281 174.634 176.000 -0.141 0.000 1.015 448 Q CA -0.606 55.031 55.803 -0.276 0.000 0.775 448 Q CB 2.518 30.960 28.738 -0.494 0.000 1.256 448 Q HN 0.716 nan 8.270 nan 0.000 0.442 449 I N 4.745 125.198 120.570 -0.195 0.000 2.466 449 I HA 0.391 4.556 4.170 -0.007 0.000 0.279 449 I C -0.535 175.496 176.117 -0.143 0.000 1.033 449 I CA -0.507 60.567 61.300 -0.377 0.000 1.123 449 I CB 0.515 38.127 38.000 -0.647 0.000 1.237 449 I HN 0.667 nan 8.210 nan 0.000 0.460 450 H N 4.641 123.541 119.070 -0.282 0.000 2.888 450 H HA 0.553 5.105 4.556 -0.007 0.000 0.267 450 H C -1.439 173.836 175.328 -0.088 0.000 1.482 450 H CA -1.327 54.634 56.048 -0.145 0.000 1.165 450 H CB 1.262 30.966 29.762 -0.098 0.000 1.866 450 H HN 0.197 nan 8.280 nan 0.000 0.599 451 R N 1.284 121.633 120.500 -0.251 0.000 2.435 451 R HA 0.275 4.611 4.340 -0.007 0.000 0.308 451 R C -0.900 175.207 176.300 -0.321 0.000 0.975 451 R CA -0.540 55.390 56.100 -0.283 0.000 0.867 451 R CB 1.059 31.322 30.300 -0.062 0.000 1.171 451 R HN 0.719 nan 8.270 nan 0.000 0.470 452 D N 1.404 121.556 120.400 -0.413 0.000 2.225 452 D HA 0.253 4.889 4.640 -0.007 0.000 0.249 452 D C 0.787 177.148 176.300 0.100 0.000 1.052 452 D CA -0.164 53.741 54.000 -0.158 0.000 0.909 452 D CB 1.913 42.675 40.800 -0.063 0.000 1.186 452 D HN 0.496 nan 8.370 nan 0.000 0.431 453 A N 4.234 127.153 122.820 0.165 0.000 2.019 453 A HA -0.115 4.201 4.320 -0.007 0.000 0.219 453 A C 1.064 178.885 177.584 0.395 0.000 1.164 453 A CA 0.621 52.848 52.037 0.318 0.000 0.644 453 A CB -0.349 18.833 19.000 0.303 0.000 0.805 453 A HN 0.611 nan 8.150 nan 0.000 0.449 454 F N 0.086 120.105 119.950 0.115 0.000 2.435 454 F HA 0.292 4.818 4.527 -0.001 0.000 0.316 454 F C 1.252 177.040 175.800 -0.019 0.000 1.220 454 F CA 0.689 58.703 58.000 0.024 0.000 1.241 454 F CB 0.525 39.499 39.000 -0.043 0.000 1.234 454 F HN 0.136 nan 8.300 nan 0.000 0.569 455 S N 1.522 116.777 115.700 -0.743 0.000 3.486 455 S HA -0.293 4.173 4.470 -0.007 0.000 0.371 455 S C 0.285 174.744 174.600 -0.235 0.000 1.001 455 S CA 0.868 58.758 58.200 -0.516 0.000 1.164 455 S CB -1.815 61.060 63.200 -0.542 0.000 0.911 455 S HN 0.715 nan 8.310 nan 0.000 0.472 456 Y N 0.970 121.160 120.300 -0.183 0.000 2.365 456 Y HA 0.277 4.822 4.550 -0.009 0.000 0.293 456 Y C 1.952 177.794 175.900 -0.098 0.000 1.119 456 Y CA 1.158 59.207 58.100 -0.085 0.000 1.203 456 Y CB -0.161 38.273 38.460 -0.044 0.000 1.026 456 Y HN 0.774 nan 8.280 nan 0.000 0.549 457 G N 0.023 108.808 108.800 -0.025 0.000 2.752 457 G HA2 -0.189 3.767 3.960 -0.007 0.000 0.234 457 G HA3 -0.189 3.767 3.960 -0.007 0.000 0.234 457 G C 0.719 175.619 174.900 0.001 0.000 1.367 457 G CA -0.136 44.934 45.100 -0.051 0.000 0.879 457 G HN 0.629 nan 8.290 nan 0.000 0.563 458 A N -1.311 121.502 122.820 -0.012 0.000 2.267 458 A HA 0.618 4.934 4.320 -0.007 0.000 0.213 458 A C 0.949 178.539 177.584 0.011 0.000 1.192 458 A CA 1.774 53.809 52.037 -0.003 0.000 0.851 458 A CB 0.152 19.143 19.000 -0.015 0.000 0.881 458 A HN 1.750 nan 8.150 nan 0.000 0.494 459 V N -0.385 119.541 119.914 0.019 0.000 2.960 459 V HA 0.308 4.424 4.120 -0.007 0.000 0.315 459 V C -0.039 176.079 176.094 0.041 0.000 1.087 459 V CA -1.018 61.295 62.300 0.023 0.000 0.982 459 V CB 1.652 33.483 31.823 0.014 0.000 1.039 459 V HN 0.447 nan 8.190 nan 0.000 0.437 460 Q N 1.577 121.400 119.800 0.038 0.000 2.313 460 Q HA 0.174 4.510 4.340 -0.007 0.000 0.266 460 Q C -0.306 175.724 176.000 0.050 0.000 0.989 460 Q CA -0.224 55.609 55.803 0.051 0.000 0.890 460 Q CB 0.657 29.417 28.738 0.037 0.000 1.200 460 Q HN 0.742 nan 8.270 nan 0.000 0.396 461 Q N 1.691 121.531 119.800 0.067 0.000 2.263 461 Q HA -0.046 4.290 4.340 -0.007 0.000 0.289 461 Q C 1.036 177.060 176.000 0.040 0.000 1.061 461 Q CA 0.494 56.327 55.803 0.051 0.000 0.927 461 Q CB 0.516 29.290 28.738 0.060 0.000 1.154 461 Q HN 0.791 nan 8.270 nan 0.000 0.378 462 S N 2.240 117.957 115.700 0.029 0.000 2.461 462 S HA 0.012 4.477 4.470 -0.007 0.000 0.228 462 S C 0.834 175.450 174.600 0.027 0.000 1.005 462 S CA 0.149 58.364 58.200 0.025 0.000 0.942 462 S CB 0.315 63.526 63.200 0.018 0.000 0.776 462 S HN 0.458 nan 8.310 nan 0.000 0.514 463 I N 3.442 124.029 120.570 0.028 0.000 2.428 463 I HA 0.256 4.422 4.170 -0.007 0.000 0.289 463 I C 0.529 176.670 176.117 0.040 0.000 1.019 463 I CA -1.194 60.123 61.300 0.029 0.000 1.351 463 I CB 0.389 38.403 38.000 0.023 0.000 1.412 463 I HN 0.252 nan 8.210 nan 0.000 0.513 464 D N 3.745 124.172 120.400 0.045 0.000 2.531 464 D HA -0.109 4.527 4.640 -0.007 0.000 0.239 464 D C 1.189 177.525 176.300 0.060 0.000 1.144 464 D CA 0.373 54.408 54.000 0.059 0.000 0.869 464 D CB 1.024 41.865 40.800 0.068 0.000 1.160 464 D HN 0.605 nan 8.370 nan 0.000 0.484 465 S N 3.932 119.676 115.700 0.074 0.000 2.402 465 S HA -0.212 4.253 4.470 -0.007 0.000 0.233 465 S C 1.759 176.400 174.600 0.069 0.000 1.030 465 S CA 1.237 59.486 58.200 0.081 0.000 1.003 465 S CB 0.081 63.352 63.200 0.117 0.000 0.813 465 S HN 0.527 nan 8.310 nan 0.000 0.477 466 R N 0.130 120.669 120.500 0.065 0.000 2.189 466 R HA 0.091 4.427 4.340 -0.007 0.000 0.223 466 R C 1.991 178.310 176.300 0.032 0.000 1.092 466 R CA 1.091 57.216 56.100 0.042 0.000 0.989 466 R CB -0.279 30.031 30.300 0.016 0.000 0.876 466 R HN 0.437 nan 8.270 nan 0.000 0.457 467 L N 0.299 121.545 121.223 0.038 0.000 2.418 467 L HA 0.097 4.432 4.340 -0.007 0.000 0.218 467 L C 0.739 177.636 176.870 0.046 0.000 1.125 467 L CA 0.284 55.146 54.840 0.037 0.000 0.835 467 L CB 0.042 42.121 42.059 0.034 0.000 0.953 467 L HN 0.061 nan 8.230 nan 0.000 0.454 468 I N 0.175 120.769 120.570 0.040 0.000 2.396 468 I HA 0.229 4.395 4.170 -0.007 0.000 0.292 468 I C -0.569 175.568 176.117 0.033 0.000 0.999 468 I CA -0.320 61.001 61.300 0.035 0.000 1.310 468 I CB 1.663 39.665 38.000 0.003 0.000 1.404 468 I HN -0.288 nan 8.210 nan 0.000 0.496 469 V N 4.909 124.865 119.914 0.070 0.000 2.709 469 V HA 0.326 4.442 4.120 -0.007 0.000 0.308 469 V C -0.804 175.306 176.094 0.028 0.000 1.062 469 V CA -0.865 61.448 62.300 0.022 0.000 0.901 469 V CB 2.190 34.047 31.823 0.057 0.000 1.003 469 V HN 0.586 nan 8.190 nan 0.000 0.425 470 D N 2.257 122.599 120.400 -0.097 0.000 2.225 470 D HA 0.472 5.108 4.640 -0.007 0.000 0.249 470 D C -1.018 175.218 176.300 -0.106 0.000 1.052 470 D CA 0.096 54.089 54.000 -0.012 0.000 0.909 470 D CB 1.337 42.129 40.800 -0.013 0.000 1.186 470 D HN 0.443 nan 8.370 nan 0.000 0.431 471 W N 1.143 122.446 121.300 0.006 0.000 2.619 471 W HA 0.438 5.092 4.660 -0.010 0.000 0.327 471 W C 0.148 176.742 176.519 0.126 0.000 1.027 471 W CA -0.830 56.566 57.345 0.085 0.000 1.233 471 W CB 1.297 30.688 29.460 -0.114 0.000 1.370 471 W HN -0.080 nan 8.180 nan 0.000 0.453 472 R N 3.046 123.811 120.500 0.443 0.000 2.483 472 R HA 0.498 4.834 4.340 -0.007 0.000 0.303 472 R C -1.477 175.030 176.300 0.345 0.000 0.987 472 R CA -0.845 55.393 56.100 0.231 0.000 0.881 472 R CB 1.555 31.936 30.300 0.135 0.000 1.177 472 R HN 0.170 nan 8.270 nan 0.000 0.451 473 F N 2.950 122.777 119.950 -0.207 0.000 2.469 473 F HA 0.508 5.032 4.527 -0.005 0.000 0.332 473 F C -0.172 175.524 175.800 -0.172 0.000 1.103 473 F CA -1.457 56.508 58.000 -0.058 0.000 0.979 473 F CB 1.058 39.983 39.000 -0.124 0.000 1.137 473 F HN 0.310 nan 8.300 nan 0.000 0.463 474 F N 1.133 121.267 119.950 0.306 0.000 2.477 474 F HA 0.613 5.137 4.527 -0.004 0.000 0.335 474 F C 0.653 176.654 175.800 0.336 0.000 1.130 474 F CA -0.988 57.191 58.000 0.298 0.000 0.948 474 F CB 1.589 40.818 39.000 0.382 0.000 1.154 474 F HN 0.556 nan 8.300 nan 0.000 0.439 475 G N 2.203 111.246 108.800 0.406 0.000 2.476 475 G HA2 0.577 4.533 3.960 -0.007 0.000 0.286 475 G HA3 0.577 4.533 3.960 -0.007 0.000 0.286 475 G C -0.813 174.278 174.900 0.318 0.000 1.177 475 G CA -0.962 44.358 45.100 0.366 0.000 0.870 475 G HN 0.734 nan 8.290 nan 0.000 0.528 476 R N -0.585 120.102 120.500 0.312 0.000 2.428 476 R HA 0.633 4.968 4.340 -0.007 0.000 0.294 476 R C -0.960 175.441 176.300 0.168 0.000 1.000 476 R CA -0.567 55.640 56.100 0.178 0.000 0.960 476 R CB 1.241 31.668 30.300 0.212 0.000 1.076 476 R HN 0.257 nan 8.270 nan 0.000 0.475 477 T N 2.693 117.312 114.554 0.107 0.000 2.786 477 T HA 0.155 4.501 4.350 -0.007 0.000 0.283 477 T C -0.738 174.045 174.700 0.139 0.000 0.992 477 T CA -0.754 61.458 62.100 0.187 0.000 0.954 477 T CB 1.158 70.206 68.868 0.300 0.000 0.934 477 T HN 0.588 nan 8.240 nan 0.000 0.440 478 E N 4.203 124.488 120.200 0.141 0.000 2.480 478 E HA 0.100 4.445 4.350 -0.007 0.000 0.258 478 E C -2.276 174.406 176.600 0.137 0.000 0.984 478 E CA -1.351 55.123 56.400 0.124 0.000 0.930 478 E CB 0.071 29.834 29.700 0.106 0.000 0.936 478 E HN 0.280 nan 8.360 nan 0.000 0.466 479 P HA 0.065 nan 4.420 nan 0.000 0.271 479 P C -0.855 176.601 177.300 0.260 0.000 1.226 479 P CA 0.149 63.392 63.100 0.237 0.000 0.765 479 P CB 0.614 32.472 31.700 0.263 0.000 0.835 480 K N 2.532 123.038 120.400 0.176 0.000 2.427 480 K HA 0.164 4.480 4.320 -0.007 0.000 0.252 480 K C 0.897 177.343 176.600 -0.257 0.000 0.931 480 K CA -0.679 55.629 56.287 0.035 0.000 0.793 480 K CB 2.261 34.737 32.500 -0.040 0.000 1.211 480 K HN 0.426 nan 8.250 nan 0.000 0.426 481 E N 2.095 121.985 120.200 -0.518 0.000 2.118 481 E HA -0.229 4.116 4.350 -0.007 0.000 0.195 481 E C 1.052 177.397 176.600 -0.425 0.000 0.992 481 E CA 1.645 57.490 56.400 -0.925 0.000 0.804 481 E CB 0.453 29.823 29.700 -0.550 0.000 0.741 481 E HN 0.551 nan 8.360 nan 0.000 0.458 482 E N 0.397 120.455 120.200 -0.237 0.000 2.338 482 E HA -0.137 4.209 4.350 -0.007 0.000 0.197 482 E C 0.008 176.543 176.600 -0.108 0.000 1.007 482 E CA 0.426 56.738 56.400 -0.145 0.000 0.849 482 E CB -0.317 29.315 29.700 -0.114 0.000 0.774 482 E HN 0.093 nan 8.360 nan 0.000 0.506 483 N N 1.997 120.624 118.700 -0.121 0.000 2.406 483 N HA 0.175 4.911 4.740 -0.007 0.000 0.251 483 N C -0.757 174.813 175.510 0.101 0.000 1.069 483 N CA 0.118 53.155 53.050 -0.022 0.000 0.947 483 N CB 1.085 39.532 38.487 -0.068 0.000 1.111 483 N HN 0.119 nan 8.380 nan 0.000 0.497 484 K N 1.194 121.707 120.400 0.188 0.000 2.426 484 K HA 0.473 4.788 4.320 -0.007 0.000 0.251 484 K C -1.061 175.699 176.600 0.266 0.000 0.941 484 K CA -0.921 55.496 56.287 0.216 0.000 0.808 484 K CB 2.397 35.023 32.500 0.210 0.000 1.265 484 K HN 0.171 nan 8.250 nan 0.000 0.432 485 L N 4.088 125.415 121.223 0.173 0.000 2.298 485 L HA 0.546 4.882 4.340 -0.007 0.000 0.284 485 L C -1.284 175.507 176.870 -0.132 0.000 1.013 485 L CA -0.097 54.687 54.840 -0.094 0.000 0.824 485 L CB 0.483 42.490 42.059 -0.086 0.000 1.221 485 L HN 0.695 nan 8.230 nan 0.000 0.418 486 W N 3.832 124.821 121.300 -0.518 0.000 2.967 486 W HA 0.675 5.332 4.660 -0.006 0.000 0.342 486 W C -2.167 173.858 176.519 -0.822 0.000 1.162 486 W CA -1.242 55.855 57.345 -0.414 0.000 1.085 486 W CB 0.924 30.306 29.460 -0.129 0.000 1.460 486 W HN 0.330 nan 8.180 nan 0.000 0.584 487 F N 1.362 121.474 119.950 0.271 0.000 2.556 487 F HA 0.342 4.865 4.527 -0.007 0.000 0.314 487 F C 0.700 176.638 175.800 0.231 0.000 1.106 487 F CA -0.986 57.049 58.000 0.057 0.000 0.911 487 F CB 2.147 41.177 39.000 0.050 0.000 1.190 487 F HN 0.285 nan 8.300 nan 0.000 0.448 488 S N 0.923 116.747 115.700 0.207 0.000 2.562 488 S HA 0.069 4.535 4.470 -0.007 0.000 0.281 488 S C 0.729 175.473 174.600 0.241 0.000 1.333 488 S CA -0.506 57.856 58.200 0.271 0.000 1.052 488 S CB 0.410 63.676 63.200 0.110 0.000 0.884 488 S HN 0.696 nan 8.310 nan 0.000 0.506 489 D N 2.875 123.408 120.400 0.222 0.000 2.340 489 D HA 0.130 4.765 4.640 -0.007 0.000 0.220 489 D C 0.903 177.264 176.300 0.101 0.000 1.039 489 D CA 0.539 54.623 54.000 0.141 0.000 0.866 489 D CB 0.130 40.998 40.800 0.114 0.000 0.913 489 D HN 0.541 nan 8.370 nan 0.000 0.523 490 K N -0.703 119.761 120.400 0.105 0.000 2.567 490 K HA 0.214 4.530 4.320 -0.007 0.000 0.199 490 K C 0.117 176.755 176.600 0.065 0.000 1.412 490 K CA -0.289 56.044 56.287 0.075 0.000 1.020 490 K CB 1.109 33.654 32.500 0.075 0.000 1.487 490 K HN -0.025 nan 8.250 nan 0.000 0.531 491 I N 3.082 123.693 120.570 0.069 0.000 2.428 491 I HA 0.113 4.278 4.170 -0.007 0.000 0.289 491 I C 0.565 176.713 176.117 0.052 0.000 1.019 491 I CA 0.097 61.427 61.300 0.049 0.000 1.351 491 I CB 0.849 38.868 38.000 0.032 0.000 1.412 491 I HN 0.208 nan 8.210 nan 0.000 0.513 492 T N 1.353 115.934 114.554 0.044 0.000 2.924 492 T HA 0.586 4.932 4.350 -0.007 0.000 0.291 492 T C -0.330 174.400 174.700 0.051 0.000 1.045 492 T CA -0.918 61.214 62.100 0.054 0.000 1.015 492 T CB 2.363 71.259 68.868 0.047 0.000 1.103 492 T HN 0.537 nan 8.240 nan 0.000 0.496 493 D N 0.832 121.279 120.400 0.077 0.000 2.478 493 D HA 0.446 5.082 4.640 -0.007 0.000 0.274 493 D C 1.544 177.875 176.300 0.052 0.000 1.234 493 D CA -0.451 53.600 54.000 0.084 0.000 1.069 493 D CB -0.081 40.811 40.800 0.153 0.000 1.113 493 D HN 0.665 nan 8.370 nan 0.000 0.571 494 A N -1.501 121.330 122.820 0.018 0.000 2.172 494 A HA -0.072 4.243 4.320 -0.007 0.000 0.216 494 A C 1.005 178.400 177.584 -0.314 0.000 1.154 494 A CA 0.697 52.641 52.037 -0.155 0.000 0.701 494 A CB -0.916 17.942 19.000 -0.238 0.000 0.789 494 A HN 0.533 nan 8.150 nan 0.000 0.465 495 Y N -0.662 119.656 120.300 0.030 0.000 2.607 495 Y HA 0.198 4.743 4.550 -0.008 0.000 0.266 495 Y C 0.486 176.405 175.900 0.031 0.000 1.178 495 Y CA -0.223 57.897 58.100 0.033 0.000 1.226 495 Y CB -0.503 37.963 38.460 0.009 0.000 1.144 495 Y HN 0.501 nan 8.280 nan 0.000 0.528 496 N N -0.846 117.917 118.700 0.106 0.000 2.741 496 N HA -0.184 4.552 4.740 -0.007 0.000 0.250 496 N C -0.627 174.921 175.510 0.064 0.000 1.115 496 N CA 0.588 53.676 53.050 0.063 0.000 0.724 496 N CB -0.761 37.747 38.487 0.036 0.000 1.090 496 N HN 0.183 nan 8.380 nan 0.000 0.558 497 M N -0.256 119.399 119.600 0.093 0.000 2.598 497 M HA 0.413 4.889 4.480 -0.007 0.000 0.317 497 M C -2.187 174.163 176.300 0.084 0.000 1.201 497 M CA -2.032 53.306 55.300 0.064 0.000 0.971 497 M CB 0.588 33.223 32.600 0.058 0.000 1.657 497 M HN -0.300 nan 8.290 nan 0.000 0.470 498 P HA -0.022 nan 4.420 nan 0.000 0.262 498 P C -0.633 176.809 177.300 0.236 0.000 1.182 498 P CA 0.122 63.306 63.100 0.139 0.000 0.761 498 P CB 0.230 32.014 31.700 0.140 0.000 0.795 499 Q N 6.847 126.737 119.800 0.149 0.000 2.286 499 Q HA 0.180 4.515 4.340 -0.007 0.000 0.267 499 Q C -2.299 173.665 176.000 -0.061 0.000 1.028 499 Q CA -1.982 53.857 55.803 0.060 0.000 0.901 499 Q CB -0.240 28.485 28.738 -0.022 0.000 1.183 499 Q HN 0.273 nan 8.270 nan 0.000 0.392 500 P HA 0.108 nan 4.420 nan 0.000 0.268 500 P C -1.096 175.711 177.300 -0.823 0.000 1.204 500 P CA -0.058 62.653 63.100 -0.648 0.000 0.768 500 P CB 1.002 32.414 31.700 -0.481 0.000 0.842 501 T N 3.115 116.943 114.554 -1.211 0.000 2.921 501 T HA 0.507 4.853 4.350 -0.007 0.000 0.297 501 T C -0.627 173.414 174.700 -1.098 0.000 1.013 501 T CA -0.150 61.255 62.100 -1.159 0.000 0.990 501 T CB 0.472 68.325 68.868 -1.691 0.000 1.023 501 T HN 0.022 nan 8.240 nan 0.000 0.447 502 F N 2.053 121.742 119.950 -0.435 0.000 2.399 502 F HA 0.519 5.042 4.527 -0.007 0.000 0.334 502 F C 0.650 176.429 175.800 -0.035 0.000 1.097 502 F CA -0.944 56.931 58.000 -0.208 0.000 1.076 502 F CB 1.102 40.019 39.000 -0.139 0.000 1.162 502 F HN 0.409 nan 8.300 nan 0.000 0.495 503 D N 3.501 124.097 120.400 0.327 0.000 2.408 503 D HA 0.228 4.864 4.640 -0.007 0.000 0.261 503 D C -1.764 174.681 176.300 0.243 0.000 1.190 503 D CA -0.126 54.043 54.000 0.283 0.000 0.910 503 D CB 0.194 41.184 40.800 0.318 0.000 1.097 503 D HN 0.294 nan 8.370 nan 0.000 0.522 504 F N 3.297 123.250 119.950 0.005 0.000 2.561 504 F HA 0.585 5.108 4.527 -0.008 0.000 0.313 504 F C -1.136 174.560 175.800 -0.173 0.000 1.126 504 F CA -0.648 57.283 58.000 -0.115 0.000 0.918 504 F CB 1.361 40.225 39.000 -0.227 0.000 1.199 504 F HN 0.013 nan 8.300 nan 0.000 0.444 505 R N 4.711 124.714 120.500 -0.827 0.000 2.673 505 R HA 0.345 4.681 4.340 -0.007 0.000 0.281 505 R C -1.580 174.114 176.300 -1.010 0.000 0.991 505 R CA -0.962 54.762 56.100 -0.626 0.000 0.896 505 R CB 1.708 31.846 30.300 -0.270 0.000 1.201 505 R HN 0.582 nan 8.270 nan 0.000 0.457 506 F N 3.092 122.816 119.950 -0.376 0.000 2.578 506 F HA 0.143 4.664 4.527 -0.009 0.000 0.381 506 F C -1.282 174.393 175.800 -0.209 0.000 1.069 506 F CA -1.043 56.819 58.000 -0.230 0.000 1.231 506 F CB -0.183 38.812 39.000 -0.007 0.000 1.086 506 F HN 0.145 nan 8.300 nan 0.000 0.564 507 P HA -0.003 nan 4.420 nan 0.000 0.266 507 P C 0.137 177.452 177.300 0.025 0.000 1.195 507 P CA 0.198 63.279 63.100 -0.032 0.000 0.768 507 P CB 0.825 32.521 31.700 -0.006 0.000 0.838 508 A N 3.449 126.270 122.820 0.003 0.000 2.019 508 A HA -0.003 4.313 4.320 -0.007 0.000 0.219 508 A C 1.713 179.308 177.584 0.020 0.000 1.164 508 A CA 2.006 54.048 52.037 0.008 0.000 0.644 508 A CB -1.194 17.803 19.000 -0.005 0.000 0.805 508 A HN 0.625 nan 8.150 nan 0.000 0.449 509 G N -1.320 107.498 108.800 0.029 0.000 3.199 509 G HA2 0.142 4.098 3.960 -0.007 0.000 0.184 509 G HA3 0.142 4.098 3.960 -0.007 0.000 0.184 509 G C 1.302 176.234 174.900 0.053 0.000 1.974 509 G CA 0.343 45.465 45.100 0.037 0.000 0.885 509 G HN 0.326 nan 8.290 nan 0.000 0.575 510 R N -0.564 119.974 120.500 0.064 0.000 2.103 510 R HA -0.114 4.222 4.340 -0.007 0.000 0.242 510 R C 2.687 179.048 176.300 0.102 0.000 1.142 510 R CA 2.205 58.355 56.100 0.082 0.000 0.960 510 R CB -0.755 29.597 30.300 0.086 0.000 0.858 510 R HN 0.429 nan 8.270 nan 0.000 0.439 511 T N -0.023 114.595 114.554 0.106 0.000 2.684 511 T HA -0.108 4.238 4.350 -0.007 0.000 0.267 511 T C 1.935 176.696 174.700 0.102 0.000 1.036 511 T CA 1.786 63.966 62.100 0.133 0.000 1.148 511 T CB -0.177 68.790 68.868 0.166 0.000 0.863 511 T HN 0.276 nan 8.240 nan 0.000 0.436 512 S N 0.602 116.344 115.700 0.070 0.000 2.368 512 S HA -0.035 4.431 4.470 -0.007 0.000 0.224 512 S C 2.021 176.634 174.600 0.022 0.000 1.029 512 S CA 0.966 59.176 58.200 0.017 0.000 0.988 512 S CB -0.191 63.011 63.200 0.003 0.000 0.838 512 S HN 0.477 nan 8.310 nan 0.000 0.462 513 K N 1.277 121.706 120.400 0.049 0.000 2.032 513 K HA -0.142 4.174 4.320 -0.007 0.000 0.209 513 K C 1.976 178.633 176.600 0.096 0.000 1.048 513 K CA 1.469 57.792 56.287 0.061 0.000 0.927 513 K CB -0.115 32.426 32.500 0.068 0.000 0.712 513 K HN 0.361 nan 8.250 nan 0.000 0.441 514 E N -0.143 120.141 120.200 0.140 0.000 2.077 514 E HA -0.189 4.157 4.350 -0.007 0.000 0.193 514 E C 1.961 178.645 176.600 0.140 0.000 0.989 514 E CA 0.981 57.522 56.400 0.235 0.000 0.800 514 E CB -0.119 29.759 29.700 0.296 0.000 0.746 514 E HN 0.442 nan 8.360 nan 0.000 0.452 515 A N 1.297 124.175 122.820 0.096 0.000 1.940 515 A HA -0.253 4.063 4.320 -0.007 0.000 0.219 515 A C 2.070 179.717 177.584 0.105 0.000 1.176 515 A CA 1.825 53.916 52.037 0.089 0.000 0.631 515 A CB -0.329 18.694 19.000 0.040 0.000 0.814 515 A HN 0.126 nan 8.150 nan 0.000 0.446 516 E N 0.333 120.573 120.200 0.066 0.000 2.112 516 E HA -0.104 4.242 4.350 -0.007 0.000 0.190 516 E C 1.318 177.894 176.600 -0.040 0.000 0.979 516 E CA 1.270 57.708 56.400 0.062 0.000 0.814 516 E CB -0.281 29.434 29.700 0.025 0.000 0.762 516 E HN 0.494 nan 8.360 nan 0.000 0.460 517 D N 0.025 120.399 120.400 -0.044 0.000 2.144 517 D HA -0.178 4.458 4.640 -0.007 0.000 0.199 517 D C 1.910 177.953 176.300 -0.428 0.000 0.984 517 D CA 1.117 55.071 54.000 -0.076 0.000 0.834 517 D CB -0.286 40.599 40.800 0.142 0.000 0.955 517 D HN 0.318 nan 8.370 nan 0.000 0.465 518 M N -0.228 118.903 119.600 -0.781 0.000 2.086 518 M HA -0.204 4.272 4.480 -0.007 0.000 0.261 518 M C 2.084 177.968 176.300 -0.694 0.000 1.067 518 M CA 1.231 55.739 55.300 -1.321 0.000 1.116 518 M CB -0.018 32.009 32.600 -0.955 0.000 1.348 518 M HN -0.055 nan 8.290 nan 0.000 0.407 519 M N 0.545 119.861 119.600 -0.473 0.000 2.082 519 M HA -0.190 4.286 4.480 -0.007 0.000 0.258 519 M C 1.808 177.898 176.300 -0.350 0.000 1.069 519 M CA 2.519 57.550 55.300 -0.448 0.000 1.102 519 M CB -1.059 31.365 32.600 -0.293 0.000 1.336 519 M HN 0.307 nan 8.290 nan 0.000 0.404 520 T N -0.075 114.340 114.554 -0.231 0.000 2.746 520 T HA -0.168 4.177 4.350 -0.007 0.000 0.267 520 T C 1.502 176.127 174.700 -0.125 0.000 1.039 520 T CA 1.802 63.819 62.100 -0.138 0.000 1.142 520 T CB -0.604 68.227 68.868 -0.061 0.000 0.866 520 T HN 0.533 nan 8.240 nan 0.000 0.444 521 D N 0.543 120.864 120.400 -0.131 0.000 2.123 521 D HA -0.077 4.558 4.640 -0.007 0.000 0.196 521 D C 2.061 178.345 176.300 -0.026 0.000 0.992 521 D CA 0.900 54.940 54.000 0.066 0.000 0.833 521 D CB -0.225 40.733 40.800 0.263 0.000 0.954 521 D HN 0.296 nan 8.370 nan 0.000 0.455 522 M N -0.492 118.814 119.600 -0.489 0.000 2.117 522 M HA -0.172 4.303 4.480 -0.007 0.000 0.262 522 M C 1.934 177.931 176.300 -0.505 0.000 1.065 522 M CA 1.339 56.072 55.300 -0.946 0.000 1.114 522 M CB -0.153 31.622 32.600 -1.375 0.000 1.361 522 M HN 0.194 nan 8.290 nan 0.000 0.408 523 C N -0.315 118.794 119.300 -0.319 0.000 2.429 523 C HA -0.110 4.345 4.460 -0.007 0.000 0.277 523 C C 2.673 177.572 174.990 -0.153 0.000 1.262 523 C CA 0.847 59.787 59.018 -0.130 0.000 1.733 523 C CB -1.036 26.683 27.740 -0.035 0.000 2.010 523 C HN 0.501 nan 8.230 nan 0.000 0.483 524 V N 0.508 120.364 119.914 -0.097 0.000 2.307 524 V HA -0.276 3.839 4.120 -0.007 0.000 0.245 524 V C 2.392 178.472 176.094 -0.024 0.000 1.045 524 V CA 2.240 64.516 62.300 -0.040 0.000 1.024 524 V CB -0.625 31.230 31.823 0.052 0.000 0.651 524 V HN 0.589 nan 8.190 nan 0.000 0.449 525 M N 0.592 120.217 119.600 0.043 0.000 2.123 525 M HA -0.146 4.330 4.480 -0.007 0.000 0.263 525 M C 2.514 178.715 176.300 -0.164 0.000 1.069 525 M CA 2.194 57.606 55.300 0.186 0.000 1.133 525 M CB -0.182 32.692 32.600 0.457 0.000 1.356 525 M HN 0.543 nan 8.290 nan 0.000 0.415 526 S N 0.734 115.994 115.700 -0.733 0.000 2.383 526 S HA -0.113 4.353 4.470 -0.007 0.000 0.229 526 S C 2.006 176.213 174.600 -0.654 0.000 1.030 526 S CA 1.131 58.474 58.200 -1.428 0.000 1.002 526 S CB -0.964 61.174 63.200 -1.770 0.000 0.829 526 S HN 0.579 nan 8.310 nan 0.000 0.467 527 A N 2.350 124.890 122.820 -0.466 0.000 2.024 527 A HA -0.099 4.217 4.320 -0.007 0.000 0.220 527 A C 2.192 179.649 177.584 -0.211 0.000 1.164 527 A CA 1.541 53.363 52.037 -0.359 0.000 0.643 527 A CB -0.590 18.230 19.000 -0.300 0.000 0.806 527 A HN 0.685 nan 8.150 nan 0.000 0.451 528 K N -0.831 119.491 120.400 -0.130 0.000 2.365 528 K HA 0.026 4.342 4.320 -0.007 0.000 0.199 528 K C 1.141 177.733 176.600 -0.013 0.000 1.045 528 K CA 0.734 56.990 56.287 -0.052 0.000 0.962 528 K CB -0.026 32.478 32.500 0.006 0.000 0.759 528 K HN 0.409 nan 8.250 nan 0.000 0.469 529 I N -0.409 120.166 120.570 0.008 0.000 3.039 529 I HA 0.134 4.300 4.170 -0.007 0.000 0.270 529 I C 1.119 177.251 176.117 0.024 0.000 1.150 529 I CA 0.609 61.964 61.300 0.092 0.000 1.448 529 I CB -0.022 38.182 38.000 0.340 0.000 1.197 529 I HN 0.093 nan 8.210 nan 0.000 0.450 530 G N -0.682 108.077 108.800 -0.070 0.000 2.368 530 G HA2 0.467 4.423 3.960 -0.007 0.000 0.293 530 G HA3 0.467 4.423 3.960 -0.007 0.000 0.293 530 G C -0.611 174.143 174.900 -0.244 0.000 1.467 530 G CA -0.166 44.872 45.100 -0.102 0.000 0.804 530 G HN 0.284 nan 8.290 nan 0.000 0.535 531 G N -1.035 107.620 108.800 -0.241 0.000 2.572 531 G HA2 0.533 4.489 3.960 -0.007 0.000 0.261 531 G HA3 0.533 4.489 3.960 -0.007 0.000 0.261 531 G C -0.195 174.523 174.900 -0.304 0.000 1.197 531 G CA -0.484 44.385 45.100 -0.386 0.000 0.870 531 G HN 0.453 nan 8.290 nan 0.000 0.548 532 F N -0.673 119.177 119.950 -0.167 0.000 2.563 532 F HA 0.181 4.705 4.527 -0.005 0.000 0.363 532 F C 0.720 176.450 175.800 -0.118 0.000 1.123 532 F CA -0.776 57.119 58.000 -0.175 0.000 1.307 532 F CB 0.578 39.465 39.000 -0.190 0.000 1.115 532 F HN 0.163 nan 8.300 nan 0.000 0.592 533 L N 6.055 127.336 121.223 0.096 0.000 2.369 533 L HA 0.397 4.732 4.340 -0.007 0.000 0.279 533 L C -2.381 174.503 176.870 0.023 0.000 1.108 533 L CA -1.999 52.862 54.840 0.035 0.000 0.852 533 L CB -0.022 42.042 42.059 0.009 0.000 1.169 533 L HN 0.280 nan 8.230 nan 0.000 0.452 534 P HA 0.189 nan 4.420 nan 0.000 0.264 534 P C 0.665 177.963 177.300 -0.003 0.000 1.183 534 P CA 1.014 64.119 63.100 0.008 0.000 0.763 534 P CB 0.643 32.348 31.700 0.008 0.000 0.807 535 G N 1.987 110.779 108.800 -0.013 0.000 2.225 535 G HA2 -0.241 3.715 3.960 -0.007 0.000 0.254 535 G HA3 -0.241 3.715 3.960 -0.007 0.000 0.254 535 G C 0.493 175.394 174.900 0.001 0.000 0.988 535 G CA 0.246 45.342 45.100 -0.008 0.000 0.625 535 G HN 0.526 nan 8.290 nan 0.000 0.527 536 S N 0.871 116.556 115.700 -0.025 0.000 2.617 536 S HA 0.529 4.994 4.470 -0.007 0.000 0.237 536 S C 0.516 174.991 174.600 -0.207 0.000 1.142 536 S CA -0.537 57.633 58.200 -0.051 0.000 1.167 536 S CB 0.259 63.421 63.200 -0.063 0.000 1.068 536 S HN 0.480 nan 8.310 nan 0.000 0.470 537 L N 2.464 123.564 121.223 -0.204 0.000 2.472 537 L HA 0.348 4.684 4.340 -0.007 0.000 0.260 537 L C -2.030 174.531 176.870 -0.514 0.000 1.209 537 L CA -2.187 52.411 54.840 -0.402 0.000 0.817 537 L CB -0.159 41.726 42.059 -0.290 0.000 1.106 537 L HN 0.063 nan 8.230 nan 0.000 0.479 538 P HA 0.009 nan 4.420 nan 0.000 0.263 538 P C -1.423 175.647 177.300 -0.383 0.000 1.195 538 P CA 0.125 62.828 63.100 -0.661 0.000 0.762 538 P CB 0.516 31.722 31.700 -0.822 0.000 0.799 539 Q N 1.707 121.329 119.800 -0.296 0.000 2.472 539 Q HA 0.467 4.803 4.340 -0.007 0.000 0.281 539 Q C -1.469 174.415 176.000 -0.193 0.000 0.997 539 Q CA -0.885 54.832 55.803 -0.142 0.000 0.828 539 Q CB 0.684 29.398 28.738 -0.041 0.000 1.443 539 Q HN 0.105 nan 8.270 nan 0.000 0.390 540 F N 1.659 121.552 119.950 -0.094 0.000 2.412 540 F HA 0.297 4.817 4.527 -0.011 0.000 0.348 540 F C 0.566 176.338 175.800 -0.047 0.000 1.102 540 F CA -0.400 57.547 58.000 -0.089 0.000 1.196 540 F CB 0.993 39.926 39.000 -0.111 0.000 1.144 540 F HN 0.394 nan 8.300 nan 0.000 0.541 541 M N 3.063 122.712 119.600 0.082 0.000 2.241 541 M HA 0.139 4.615 4.480 -0.007 0.000 0.335 541 M C 0.232 176.582 176.300 0.084 0.000 1.122 541 M CA -0.525 54.806 55.300 0.052 0.000 1.164 541 M CB 0.410 33.002 32.600 -0.013 0.000 1.459 541 M HN 0.442 nan 8.290 nan 0.000 0.461 542 K N 2.061 122.493 120.400 0.054 0.000 2.543 542 K HA -0.035 4.280 4.320 -0.007 0.000 0.279 542 K C -2.259 174.371 176.600 0.051 0.000 1.001 542 K CA -0.660 55.655 56.287 0.047 0.000 1.088 542 K CB -0.533 31.978 32.500 0.019 0.000 0.863 542 K HN 0.310 nan 8.250 nan 0.000 0.488 543 P HA -0.062 nan 4.420 nan 0.000 0.263 543 P C 0.613 177.857 177.300 -0.093 0.000 1.195 543 P CA 0.779 63.934 63.100 0.091 0.000 0.762 543 P CB 0.581 32.339 31.700 0.097 0.000 0.799 544 G N 2.740 111.480 108.800 -0.100 0.000 2.195 544 G HA2 -0.308 3.648 3.960 -0.007 0.000 0.246 544 G HA3 -0.308 3.648 3.960 -0.007 0.000 0.246 544 G C 0.696 175.531 174.900 -0.108 0.000 0.984 544 G CA 0.166 45.154 45.100 -0.187 0.000 0.633 544 G HN 0.547 nan 8.290 nan 0.000 0.525 545 L N 1.215 122.394 121.223 -0.074 0.000 2.265 545 L HA 0.265 4.600 4.340 -0.007 0.000 0.215 545 L C 2.639 179.426 176.870 -0.137 0.000 1.117 545 L CA 2.445 57.232 54.840 -0.089 0.000 0.782 545 L CB -0.310 41.717 42.059 -0.053 0.000 0.914 545 L HN 0.490 nan 8.230 nan 0.000 0.441 546 V N -0.036 119.815 119.914 -0.104 0.000 2.759 546 V HA -0.123 3.992 4.120 -0.007 0.000 0.256 546 V C 1.559 177.532 176.094 -0.201 0.000 1.080 546 V CA 1.052 63.266 62.300 -0.143 0.000 1.101 546 V CB -0.339 31.453 31.823 -0.052 0.000 0.698 546 V HN 0.502 nan 8.190 nan 0.000 0.477 547 L N 0.285 121.464 121.223 -0.073 0.000 3.597 547 L HA -0.249 4.087 4.340 -0.007 0.000 0.440 547 L C 0.346 177.350 176.870 0.223 0.000 1.277 547 L CA 0.906 55.768 54.840 0.037 0.000 0.852 547 L CB -2.525 39.564 42.059 0.051 0.000 1.708 547 L HN 0.562 nan 8.230 nan 0.000 0.885 548 H N -0.864 118.294 119.070 0.147 0.000 2.575 548 H HA 0.265 4.817 4.556 -0.005 0.000 0.256 548 H C 0.533 175.990 175.328 0.216 0.000 1.162 548 H CA -1.098 55.085 56.048 0.225 0.000 0.969 548 H CB 0.787 30.726 29.762 0.294 0.000 1.796 548 H HN 0.208 nan 8.280 nan 0.000 0.607 549 L N 2.034 123.392 121.223 0.226 0.000 2.578 549 L HA 0.149 4.485 4.340 -0.007 0.000 0.279 549 L C 0.616 177.616 176.870 0.216 0.000 1.227 549 L CA 0.905 55.828 54.840 0.139 0.000 0.900 549 L CB 0.255 42.359 42.059 0.076 0.000 1.144 549 L HN 0.294 nan 8.230 nan 0.000 0.496 550 G N 1.914 110.853 108.800 0.231 0.000 2.798 550 G HA2 0.538 4.493 3.960 -0.007 0.000 0.286 550 G HA3 0.538 4.493 3.960 -0.007 0.000 0.286 550 G C 0.334 175.338 174.900 0.174 0.000 1.389 550 G CA -0.302 44.955 45.100 0.262 0.000 0.894 550 G HN 1.345 nan 8.290 nan 0.000 0.488 551 G N -1.389 107.486 108.800 0.125 0.000 2.168 551 G HA2 -0.243 3.713 3.960 -0.007 0.000 0.263 551 G HA3 -0.243 3.713 3.960 -0.007 0.000 0.263 551 G C 1.302 176.268 174.900 0.110 0.000 0.977 551 G CA 1.734 46.912 45.100 0.129 0.000 0.659 551 G HN 1.857 nan 8.290 nan 0.000 0.533 552 T N -2.225 112.341 114.554 0.021 0.000 2.995 552 T HA 0.153 4.499 4.350 -0.007 0.000 0.269 552 T C 1.042 175.820 174.700 0.132 0.000 1.091 552 T CA 1.751 63.904 62.100 0.089 0.000 1.128 552 T CB -0.230 68.695 68.868 0.095 0.000 0.891 552 T HN 1.431 nan 8.240 nan 0.000 0.492 553 H N -0.023 119.128 119.070 0.134 0.000 2.597 553 H HA 0.477 5.029 4.556 -0.007 0.000 0.225 553 H C -0.116 175.267 175.328 0.091 0.000 1.422 553 H CA -1.346 54.760 56.048 0.096 0.000 1.335 553 H CB -0.255 29.526 29.762 0.031 0.000 1.783 553 H HN 0.345 nan 8.280 nan 0.000 0.513 554 R N 0.809 121.402 120.500 0.155 0.000 2.615 554 R HA 0.338 4.674 4.340 -0.007 0.000 0.270 554 R C -0.385 175.988 176.300 0.121 0.000 1.081 554 R CA -0.766 55.397 56.100 0.106 0.000 1.154 554 R CB 1.028 31.382 30.300 0.090 0.000 1.063 554 R HN 0.469 nan 8.270 nan 0.000 0.519 555 M N 1.239 120.884 119.600 0.076 0.000 2.314 555 M HA 0.447 4.923 4.480 -0.007 0.000 0.342 555 M C -0.471 175.835 176.300 0.010 0.000 1.171 555 M CA 0.230 55.553 55.300 0.037 0.000 1.098 555 M CB 1.600 34.192 32.600 -0.012 0.000 1.559 555 M HN 0.959 nan 8.290 nan 0.000 0.459 556 G N 2.008 110.820 108.800 0.020 0.000 2.548 556 G HA2 0.400 4.355 3.960 -0.007 0.000 0.301 556 G HA3 0.400 4.355 3.960 -0.007 0.000 0.301 556 G C -0.966 173.917 174.900 -0.028 0.000 1.349 556 G CA -0.657 44.399 45.100 -0.073 0.000 0.792 556 G HN 0.660 nan 8.290 nan 0.000 0.481 557 F N -0.062 120.001 119.950 0.190 0.000 2.335 557 F HA 0.292 4.814 4.527 -0.007 0.000 0.296 557 F C 1.103 177.051 175.800 0.246 0.000 1.091 557 F CA 0.781 58.899 58.000 0.198 0.000 1.399 557 F CB 0.656 39.722 39.000 0.110 0.000 1.067 557 F HN 0.260 nan 8.300 nan 0.000 0.520 558 D N -0.115 120.441 120.400 0.261 0.000 2.696 558 D HA 0.048 4.683 4.640 -0.007 0.000 0.251 558 D C 0.613 176.712 176.300 -0.336 0.000 1.188 558 D CA -0.062 53.923 54.000 -0.025 0.000 0.876 558 D CB 1.735 42.553 40.800 0.030 0.000 1.334 558 D HN 0.193 nan 8.370 nan 0.000 0.540 559 E N 3.506 123.138 120.200 -0.946 0.000 2.070 559 E HA -0.260 4.086 4.350 -0.007 0.000 0.197 559 E C 1.466 177.868 176.600 -0.330 0.000 1.004 559 E CA 1.461 57.315 56.400 -0.911 0.000 0.805 559 E CB 0.319 29.401 29.700 -1.030 0.000 0.744 559 E HN 0.425 nan 8.360 nan 0.000 0.451 560 K N 0.277 120.539 120.400 -0.229 0.000 2.021 560 K HA -0.154 4.162 4.320 -0.007 0.000 0.205 560 K C 2.241 178.802 176.600 -0.064 0.000 1.047 560 K CA 1.352 57.576 56.287 -0.104 0.000 0.943 560 K CB -0.084 32.373 32.500 -0.073 0.000 0.725 560 K HN 0.063 nan 8.250 nan 0.000 0.439 561 E N 0.127 120.294 120.200 -0.055 0.000 2.110 561 E HA -0.173 4.173 4.350 -0.007 0.000 0.193 561 E C 0.541 177.134 176.600 -0.012 0.000 0.988 561 E CA 1.410 57.802 56.400 -0.014 0.000 0.804 561 E CB 0.203 29.909 29.700 0.010 0.000 0.745 561 E HN 0.317 nan 8.360 nan 0.000 0.458 562 D N 0.084 120.468 120.400 -0.026 0.000 2.363 562 D HA 0.035 4.670 4.640 -0.007 0.000 0.214 562 D C -0.631 175.595 176.300 -0.123 0.000 1.093 562 D CA 0.041 54.020 54.000 -0.034 0.000 0.837 562 D CB -0.061 40.758 40.800 0.031 0.000 0.948 562 D HN 0.192 nan 8.370 nan 0.000 0.507 563 N N 0.569 119.190 118.700 -0.131 0.000 2.667 563 N HA -0.194 4.542 4.740 -0.007 0.000 0.263 563 N C -0.217 175.193 175.510 -0.166 0.000 1.038 563 N CA 0.587 53.529 53.050 -0.179 0.000 0.749 563 N CB -1.450 36.795 38.487 -0.403 0.000 0.892 563 N HN 0.411 nan 8.380 nan 0.000 0.546 564 C N -3.397 115.883 119.300 -0.033 0.000 3.318 564 C HA 0.793 5.248 4.460 -0.007 0.000 0.329 564 C C 1.232 176.374 174.990 0.253 0.000 1.449 564 C CA -0.562 58.514 59.018 0.097 0.000 1.397 564 C CB 1.562 29.381 27.740 0.133 0.000 1.810 564 C HN 0.489 nan 8.230 nan 0.000 0.449 565 C N 0.126 119.646 119.300 0.366 0.000 3.095 565 C HA 0.510 4.966 4.460 -0.007 0.000 0.472 565 C C 0.559 175.745 174.990 0.326 0.000 1.348 565 C CA 0.680 59.928 59.018 0.383 0.000 2.206 565 C CB -0.102 27.781 27.740 0.238 0.000 3.088 565 C HN 0.988 nan 8.230 nan 0.000 0.599 566 V N 1.523 121.512 119.914 0.124 0.000 2.823 566 V HA 0.696 4.811 4.120 -0.007 0.000 0.312 566 V C -0.665 175.144 176.094 -0.474 0.000 1.072 566 V CA -0.628 61.493 62.300 -0.298 0.000 0.937 566 V CB 1.471 33.213 31.823 -0.136 0.000 1.013 566 V HN 0.429 nan 8.190 nan 0.000 0.430 567 N N 1.424 119.616 118.700 -0.847 0.000 2.374 567 N HA 0.225 4.960 4.740 -0.007 0.000 0.284 567 N C 1.058 176.420 175.510 -0.246 0.000 1.280 567 N CA 0.311 53.077 53.050 -0.474 0.000 0.963 567 N CB -0.238 37.968 38.487 -0.468 0.000 1.141 567 N HN 0.924 nan 8.380 nan 0.000 0.565 568 T N -4.843 109.608 114.554 -0.171 0.000 3.160 568 T HA 0.044 4.389 4.350 -0.007 0.000 0.257 568 T C 0.096 174.713 174.700 -0.137 0.000 1.147 568 T CA 0.490 62.494 62.100 -0.161 0.000 1.064 568 T CB -0.359 68.431 68.868 -0.131 0.000 0.949 568 T HN 0.418 nan 8.240 nan 0.000 0.526 569 D N 1.165 121.475 120.400 -0.151 0.000 2.328 569 D HA 0.185 4.821 4.640 -0.007 0.000 0.221 569 D C 0.594 176.900 176.300 0.009 0.000 1.072 569 D CA 0.092 54.024 54.000 -0.113 0.000 0.850 569 D CB 0.082 40.695 40.800 -0.311 0.000 0.922 569 D HN 0.322 nan 8.370 nan 0.000 0.516 570 S N 0.189 115.866 115.700 -0.039 0.000 3.476 570 S HA -0.264 4.202 4.470 -0.007 0.000 0.309 570 S C 0.583 175.198 174.600 0.024 0.000 1.222 570 S CA 0.470 58.688 58.200 0.030 0.000 0.922 570 S CB -1.341 61.946 63.200 0.145 0.000 1.023 570 S HN 0.471 nan 8.310 nan 0.000 0.591 571 R N 1.190 121.594 120.500 -0.160 0.000 2.340 571 R HA 0.443 4.779 4.340 -0.007 0.000 0.300 571 R C -0.010 176.021 176.300 -0.449 0.000 1.069 571 R CA -0.363 55.462 56.100 -0.459 0.000 0.984 571 R CB 0.624 30.611 30.300 -0.523 0.000 1.003 571 R HN 0.138 nan 8.270 nan 0.000 0.459 572 V N 6.121 125.810 119.914 -0.374 0.000 2.585 572 V HA 0.008 4.124 4.120 -0.007 0.000 0.296 572 V C 0.189 176.268 176.094 -0.027 0.000 1.035 572 V CA 0.178 62.365 62.300 -0.187 0.000 1.084 572 V CB 0.027 31.741 31.823 -0.181 0.000 0.953 572 V HN 0.572 nan 8.190 nan 0.000 0.483 573 F N 3.858 123.879 119.950 0.118 0.000 2.623 573 F HA 0.386 4.908 4.527 -0.008 0.000 0.383 573 F C 1.568 177.479 175.800 0.185 0.000 1.077 573 F CA 1.646 59.718 58.000 0.121 0.000 1.268 573 F CB 0.003 39.064 39.000 0.101 0.000 1.053 573 F HN 0.797 nan 8.300 nan 0.000 0.571 574 G N 2.415 111.364 108.800 0.249 0.000 2.268 574 G HA2 -0.304 3.651 3.960 -0.007 0.000 0.240 574 G HA3 -0.304 3.651 3.960 -0.007 0.000 0.240 574 G C 0.000 174.814 174.900 -0.143 0.000 1.010 574 G CA -0.477 44.644 45.100 0.036 0.000 0.618 574 G HN 0.452 nan 8.290 nan 0.000 0.516 575 F N 1.474 121.443 119.950 0.032 0.000 2.408 575 F HA 0.569 5.092 4.527 -0.007 0.000 0.344 575 F C 1.573 177.360 175.800 -0.022 0.000 1.112 575 F CA -0.797 57.208 58.000 0.008 0.000 1.096 575 F CB 1.464 40.461 39.000 -0.006 0.000 1.129 575 F HN -0.230 nan 8.300 nan 0.000 0.486 576 K N 1.793 122.305 120.400 0.187 0.000 2.155 576 K HA -0.078 4.237 4.320 -0.007 0.000 0.203 576 K C 0.775 177.599 176.600 0.373 0.000 1.052 576 K CA 1.000 57.435 56.287 0.246 0.000 0.948 576 K CB -0.090 32.561 32.500 0.252 0.000 0.728 576 K HN 0.656 nan 8.250 nan 0.000 0.448 577 N N -0.113 118.757 118.700 0.284 0.000 2.307 577 N HA 0.031 4.766 4.740 -0.007 0.000 0.248 577 N C -0.674 174.902 175.510 0.111 0.000 1.322 577 N CA -0.340 52.894 53.050 0.306 0.000 0.861 577 N CB -0.096 38.626 38.487 0.391 0.000 1.303 577 N HN -0.053 nan 8.380 nan 0.000 0.498 578 L N 0.724 121.814 121.223 -0.222 0.000 2.333 578 L HA 0.703 5.038 4.340 -0.007 0.000 0.280 578 L C -1.758 174.721 176.870 -0.652 0.000 1.004 578 L CA -0.614 54.063 54.840 -0.272 0.000 0.820 578 L CB 0.846 42.712 42.059 -0.321 0.000 1.247 578 L HN -0.019 nan 8.230 nan 0.000 0.416 579 F N 4.918 124.794 119.950 -0.123 0.000 2.563 579 F HA 0.658 5.181 4.527 -0.008 0.000 0.316 579 F C -0.592 175.067 175.800 -0.235 0.000 1.076 579 F CA -0.707 57.207 58.000 -0.143 0.000 0.921 579 F CB 1.848 40.800 39.000 -0.080 0.000 1.209 579 F HN 0.191 nan 8.300 nan 0.000 0.462 580 L N 1.960 123.153 121.223 -0.050 0.000 2.346 580 L HA 0.874 5.210 4.340 -0.007 0.000 0.276 580 L C 0.021 176.900 176.870 0.014 0.000 1.006 580 L CA -0.796 53.937 54.840 -0.178 0.000 0.817 580 L CB 1.889 43.684 42.059 -0.441 0.000 1.272 580 L HN 0.785 nan 8.230 nan 0.000 0.421 581 G N 0.433 109.246 108.800 0.022 0.000 2.524 581 G HA2 0.790 4.746 3.960 -0.007 0.000 0.310 581 G HA3 0.790 4.746 3.960 -0.007 0.000 0.310 581 G C -0.487 174.531 174.900 0.196 0.000 1.279 581 G CA -0.286 44.934 45.100 0.200 0.000 0.974 581 G HN 0.965 nan 8.290 nan 0.000 0.484 582 G N -1.181 107.731 108.800 0.186 0.000 2.354 582 G HA2 0.048 4.004 3.960 -0.007 0.000 0.582 582 G HA3 0.048 4.004 3.960 -0.007 0.000 0.582 582 G C 0.733 175.690 174.900 0.095 0.000 1.316 582 G CA 0.034 45.220 45.100 0.143 0.000 0.995 582 G HN 1.168 nan 8.290 nan 0.000 0.573 583 C N 0.646 119.979 119.300 0.054 0.000 2.432 583 C HA 0.229 4.685 4.460 -0.007 0.000 0.282 583 C C 3.032 178.008 174.990 -0.023 0.000 1.388 583 C CA 1.709 60.737 59.018 0.018 0.000 1.777 583 C CB -1.296 26.487 27.740 0.071 0.000 1.882 583 C HN 1.297 nan 8.230 nan 0.000 0.520 584 G N 1.355 110.062 108.800 -0.154 0.000 2.479 584 G HA2 -0.230 3.725 3.960 -0.007 0.000 0.220 584 G HA3 -0.230 3.725 3.960 -0.007 0.000 0.220 584 G C 1.419 175.971 174.900 -0.581 0.000 1.115 584 G CA 0.823 45.570 45.100 -0.587 0.000 0.757 584 G HN 0.558 nan 8.290 nan 0.000 0.560 585 N N 0.385 118.964 118.700 -0.201 0.000 2.331 585 N HA 0.014 4.749 4.740 -0.007 0.000 0.180 585 N C 0.964 176.493 175.510 0.031 0.000 1.019 585 N CA 0.170 53.238 53.050 0.030 0.000 0.881 585 N CB 0.002 38.557 38.487 0.113 0.000 0.972 585 N HN 0.315 nan 8.380 nan 0.000 0.435 586 I N 3.135 123.720 120.570 0.024 0.000 2.505 586 I HA 0.021 4.186 4.170 -0.007 0.000 0.287 586 I C -1.336 174.873 176.117 0.153 0.000 1.104 586 I CA -0.919 60.420 61.300 0.065 0.000 1.387 586 I CB 1.012 38.979 38.000 -0.054 0.000 1.404 586 I HN -0.057 nan 8.210 nan 0.000 0.528 587 P HA 0.056 nan 4.420 nan 0.000 0.267 587 P C 0.291 177.684 177.300 0.154 0.000 1.289 587 P CA 0.241 63.415 63.100 0.123 0.000 0.866 587 P CB 0.204 31.938 31.700 0.057 0.000 1.309 588 T N -2.287 112.393 114.554 0.209 0.000 2.897 588 T HA 0.691 5.036 4.350 -0.007 0.000 0.278 588 T C 0.134 174.972 174.700 0.230 0.000 0.981 588 T CA -0.892 61.319 62.100 0.185 0.000 0.973 588 T CB 1.184 70.137 68.868 0.142 0.000 1.092 588 T HN 0.044 nan 8.240 nan 0.000 0.543 589 A N 1.738 124.629 122.820 0.117 0.000 2.279 589 A HA 0.614 4.930 4.320 -0.007 0.000 0.306 589 A C -0.685 176.874 177.584 -0.042 0.000 1.300 589 A CA -0.887 51.171 52.037 0.035 0.000 0.925 589 A CB -0.843 18.197 19.000 0.067 0.000 1.152 589 A HN 0.875 nan 8.150 nan 0.000 0.544 590 Y N -0.209 120.008 120.300 -0.138 0.000 2.462 590 Y HA 0.708 5.254 4.550 -0.007 0.000 0.346 590 Y C 0.726 176.499 175.900 -0.213 0.000 0.976 590 Y CA -0.654 57.169 58.100 -0.462 0.000 1.044 590 Y CB 1.480 39.448 38.460 -0.821 0.000 1.230 590 Y HN 0.389 nan 8.280 nan 0.000 0.455 591 G N 0.907 109.625 108.800 -0.137 0.000 2.673 591 G HA2 0.367 4.323 3.960 -0.007 0.000 0.208 591 G HA3 0.367 4.323 3.960 -0.007 0.000 0.208 591 G C 0.499 175.487 174.900 0.147 0.000 1.128 591 G CA 0.174 45.396 45.100 0.203 0.000 0.805 591 G HN 0.956 nan 8.290 nan 0.000 0.526 592 A N 0.758 123.482 122.820 -0.161 0.000 2.386 592 A HA 0.446 4.761 4.320 -0.007 0.000 0.246 592 A C -0.066 177.415 177.584 -0.171 0.000 1.089 592 A CA -0.416 51.410 52.037 -0.351 0.000 0.790 592 A CB 0.027 18.827 19.000 -0.333 0.000 1.042 592 A HN 0.368 nan 8.150 nan 0.000 0.497 593 N N 1.996 120.459 118.700 -0.396 0.000 2.475 593 N HA 0.252 4.987 4.740 -0.007 0.000 0.267 593 N C -1.984 173.436 175.510 -0.149 0.000 1.169 593 N CA -1.034 51.764 53.050 -0.420 0.000 0.947 593 N CB 0.476 38.806 38.487 -0.262 0.000 1.061 593 N HN 0.411 nan 8.380 nan 0.000 0.466 594 P HA -0.052 nan 4.420 nan 0.000 0.231 594 P C 0.533 177.738 177.300 -0.158 0.000 1.168 594 P CA 0.834 63.842 63.100 -0.154 0.000 0.779 594 P CB 0.274 31.878 31.700 -0.161 0.000 0.844 595 T N 0.974 115.512 114.554 -0.026 0.000 2.746 595 T HA -0.140 4.205 4.350 -0.007 0.000 0.267 595 T C 1.793 176.587 174.700 0.157 0.000 1.039 595 T CA 1.017 63.161 62.100 0.073 0.000 1.142 595 T CB -0.849 68.088 68.868 0.115 0.000 0.866 595 T HN 0.025 nan 8.240 nan 0.000 0.444 596 L N 1.016 122.351 121.223 0.187 0.000 2.042 596 L HA -0.101 4.235 4.340 -0.007 0.000 0.210 596 L C 2.516 179.472 176.870 0.143 0.000 1.076 596 L CA 1.751 56.754 54.840 0.272 0.000 0.749 596 L CB -1.032 41.167 42.059 0.234 0.000 0.893 596 L HN 0.192 nan 8.230 nan 0.000 0.432 597 T N -0.393 114.112 114.554 -0.081 0.000 2.708 597 T HA -0.147 4.198 4.350 -0.007 0.000 0.266 597 T C 1.913 176.534 174.700 -0.132 0.000 1.037 597 T CA 1.292 63.246 62.100 -0.244 0.000 1.146 597 T CB -0.514 67.768 68.868 -0.977 0.000 0.865 597 T HN 0.524 nan 8.240 nan 0.000 0.435 598 A N 1.547 124.292 122.820 -0.124 0.000 1.908 598 A HA -0.118 4.198 4.320 -0.007 0.000 0.218 598 A C 2.319 179.878 177.584 -0.042 0.000 1.181 598 A CA 1.979 53.983 52.037 -0.054 0.000 0.627 598 A CB -0.778 18.210 19.000 -0.021 0.000 0.818 598 A HN 0.538 nan 8.150 nan 0.000 0.445 599 M N -0.238 119.348 119.600 -0.023 0.000 2.080 599 M HA -0.164 4.312 4.480 -0.007 0.000 0.260 599 M C 2.163 178.383 176.300 -0.133 0.000 1.068 599 M CA 2.228 57.487 55.300 -0.069 0.000 1.109 599 M CB -0.172 32.396 32.600 -0.054 0.000 1.342 599 M HN 0.380 nan 8.290 nan 0.000 0.405 600 S N 1.068 116.689 115.700 -0.132 0.000 2.368 600 S HA -0.127 4.339 4.470 -0.007 0.000 0.225 600 S C 1.764 176.172 174.600 -0.320 0.000 1.030 600 S CA 1.450 59.501 58.200 -0.249 0.000 0.999 600 S CB -0.563 62.437 63.200 -0.334 0.000 0.844 600 S HN 0.515 nan 8.310 nan 0.000 0.459 601 L N 1.131 122.203 121.223 -0.250 0.000 2.046 601 L HA -0.158 4.177 4.340 -0.007 0.000 0.208 601 L C 2.805 179.541 176.870 -0.225 0.000 1.077 601 L CA 1.203 55.898 54.840 -0.241 0.000 0.747 601 L CB -0.742 41.249 42.059 -0.113 0.000 0.896 601 L HN 0.334 nan 8.230 nan 0.000 0.432 602 A N 0.351 123.035 122.820 -0.226 0.000 1.902 602 A HA -0.187 4.129 4.320 -0.007 0.000 0.217 602 A C 2.204 179.466 177.584 -0.536 0.000 1.181 602 A CA 1.534 53.321 52.037 -0.418 0.000 0.623 602 A CB -0.648 18.125 19.000 -0.379 0.000 0.818 602 A HN 0.358 nan 8.150 nan 0.000 0.443 603 I N -0.549 119.804 120.570 -0.361 0.000 2.179 603 I HA -0.287 3.878 4.170 -0.007 0.000 0.242 603 I C 2.526 178.476 176.117 -0.279 0.000 1.088 603 I CA 1.968 63.087 61.300 -0.303 0.000 1.357 603 I CB -0.235 37.609 38.000 -0.260 0.000 1.051 603 I HN 0.374 nan 8.210 nan 0.000 0.409 604 K N 0.512 120.745 120.400 -0.278 0.000 2.057 604 K HA -0.214 4.102 4.320 -0.007 0.000 0.207 604 K C 2.351 178.860 176.600 -0.152 0.000 1.049 604 K CA 1.756 57.909 56.287 -0.224 0.000 0.931 604 K CB -0.140 32.192 32.500 -0.279 0.000 0.714 604 K HN 0.129 nan 8.250 nan 0.000 0.440 605 S N -0.136 115.454 115.700 -0.183 0.000 2.370 605 S HA -0.176 4.289 4.470 -0.007 0.000 0.226 605 S C 2.040 176.532 174.600 -0.181 0.000 1.033 605 S CA 1.497 59.627 58.200 -0.116 0.000 1.011 605 S CB -0.534 62.638 63.200 -0.047 0.000 0.852 605 S HN 0.583 nan 8.310 nan 0.000 0.457 606 C N 1.461 120.569 119.300 -0.321 0.000 2.422 606 C HA -0.000 4.455 4.460 -0.007 0.000 0.279 606 C C 2.518 177.422 174.990 -0.144 0.000 1.305 606 C CA 0.768 59.619 59.018 -0.279 0.000 1.757 606 C CB -1.482 26.057 27.740 -0.334 0.000 1.962 606 C HN 0.685 nan 8.230 nan 0.000 0.499 607 E N -0.564 119.573 120.200 -0.104 0.000 2.051 607 E HA -0.256 4.090 4.350 -0.007 0.000 0.192 607 E C 1.865 178.468 176.600 0.005 0.000 0.991 607 E CA 1.510 57.882 56.400 -0.046 0.000 0.799 607 E CB -0.342 29.325 29.700 -0.054 0.000 0.748 607 E HN 0.809 nan 8.360 nan 0.000 0.449 608 Y N 1.373 121.633 120.300 -0.065 0.000 2.128 608 Y HA -0.247 4.299 4.550 -0.007 0.000 0.284 608 Y C 1.975 177.901 175.900 0.043 0.000 1.154 608 Y CA 1.564 59.667 58.100 0.005 0.000 1.149 608 Y CB -0.133 38.363 38.460 0.060 0.000 0.976 608 Y HN -0.040 nan 8.280 nan 0.000 0.505 609 I N 0.219 120.788 120.570 -0.002 0.000 2.163 609 I HA -0.352 3.813 4.170 -0.007 0.000 0.243 609 I C 2.296 178.462 176.117 0.082 0.000 1.085 609 I CA 1.756 63.057 61.300 0.002 0.000 1.347 609 I CB -0.438 37.365 38.000 -0.328 0.000 1.044 609 I HN 0.162 nan 8.210 nan 0.000 0.408 610 K N 0.389 120.812 120.400 0.037 0.000 2.209 610 K HA -0.207 4.108 4.320 -0.007 0.000 0.204 610 K C 1.987 178.619 176.600 0.055 0.000 1.048 610 K CA 1.226 57.599 56.287 0.143 0.000 0.940 610 K CB -0.117 32.442 32.500 0.097 0.000 0.729 610 K HN 0.443 nan 8.250 nan 0.000 0.451 611 Q N -0.319 119.440 119.800 -0.068 0.000 2.432 611 Q HA 0.055 4.390 4.340 -0.007 0.000 0.205 611 Q C 0.903 176.773 176.000 -0.216 0.000 0.945 611 Q CA 0.554 56.274 55.803 -0.138 0.000 0.924 611 Q CB 0.439 29.074 28.738 -0.171 0.000 1.016 611 Q HN 0.266 nan 8.270 nan 0.000 0.503 612 N N -1.222 117.322 118.700 -0.261 0.000 2.113 612 N HA 0.141 4.877 4.740 -0.007 0.000 0.223 612 N C -1.002 174.154 175.510 -0.590 0.000 1.310 612 N CA 0.206 52.974 53.050 -0.469 0.000 0.896 612 N CB 1.110 39.137 38.487 -0.767 0.000 1.097 612 N HN 0.001 nan 8.380 nan 0.000 0.507 613 F N 0.871 120.840 119.950 0.031 0.000 2.547 613 F HA 0.350 4.873 4.527 -0.007 0.000 0.316 613 F C 0.167 176.089 175.800 0.203 0.000 1.121 613 F CA -0.636 57.444 58.000 0.134 0.000 0.911 613 F CB 1.845 40.939 39.000 0.156 0.000 1.179 613 F HN -0.373 nan 8.300 nan 0.000 0.443 614 T N 4.277 118.993 114.554 0.270 0.000 2.771 614 T HA 0.377 4.723 4.350 -0.007 0.000 0.291 614 T C -2.438 172.296 174.700 0.057 0.000 0.954 614 T CA -1.320 60.841 62.100 0.102 0.000 1.045 614 T CB 0.881 69.775 68.868 0.043 0.000 0.917 614 T HN 0.149 nan 8.240 nan 0.000 0.484 615 P HA 0.159 nan 4.420 nan 0.000 0.269 615 P C -0.036 177.223 177.300 -0.068 0.000 1.215 615 P CA -0.503 62.424 63.100 -0.289 0.000 0.780 615 P CB 0.349 31.685 31.700 -0.607 0.000 0.898 616 S N 1.859 117.558 115.700 -0.000 0.000 2.593 616 S HA 0.376 4.841 4.470 -0.007 0.000 0.269 616 S C -2.276 172.329 174.600 0.009 0.000 1.334 616 S CA -1.036 57.170 58.200 0.011 0.000 1.015 616 S CB -0.777 62.431 63.200 0.012 0.000 0.912 616 S HN 0.241 nan 8.310 nan 0.000 0.541 617 P HA 0.166 nan 4.420 nan 0.000 0.268 617 P C -0.644 176.699 177.300 0.072 0.000 1.205 617 P CA -0.346 62.783 63.100 0.047 0.000 0.771 617 P CB 0.051 31.771 31.700 0.034 0.000 0.858 618 F N 3.617 123.553 119.950 -0.022 0.000 2.557 618 F HA 0.160 4.683 4.527 -0.007 0.000 0.384 618 F C 0.246 176.038 175.800 -0.013 0.000 1.057 618 F CA 1.539 59.531 58.000 -0.014 0.000 1.169 618 F CB -0.061 38.931 39.000 -0.013 0.000 1.070 618 F HN 0.269 nan 8.300 nan 0.000 0.554 619 T N 0.000 114.404 114.554 -0.251 0.000 3.816 619 T HA 0.000 4.346 4.350 -0.007 0.000 0.228 619 T CA 0.000 62.023 62.100 -0.129 0.000 1.349 619 T CB 0.000 68.834 68.868 -0.057 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658