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 3fvx_1_B DATA FIRST_RESID 4 DATA SEQUENCE QLQARRLDGI DYNPWVEFVK LASEHDVVNL GQGFPDFPPP DFAVEAFQHA DATA SEQUENCE VSGDFMLNQY TKTFGYPPLT KILASFFGEL LGQEIDPLRN VLVTVGGYGA DATA SEQUENCE LFTAFQALVD EGDEVIIIEP FFDCYEPMTM MAGGRPVFVS LKPGPIQNGE DATA SEQUENCE LGSSSNWQLD PMELAGKFTS RTKALVLNTP NNPLGKVFSR EELELVASLC DATA SEQUENCE QQHDVVCITD EVYQWMVYDG HQHISIASLP GMWERTLTIG SAGXTFSATG DATA SEQUENCE WKVGWVLGPD HIMKHLRTVH QNSVFHCPTQ SQAAVAESFE REQLLFRQPS DATA SEQUENCE SYFVQFPQAM QRCRDHMIRS LQSVGLKPII PQGSYFLITD ISDFKRKMPD DATA SEQUENCE LPGAVDEPYD RRFVKWMIKN KGLVAIPVSI FYSVPHQKHF DHYIRFCFVK DATA SEQUENCE DEATLQAMDE KLRKWKVEL 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.004 176.000 0.007 0.000 1.003 4 Q CA 0.000 55.806 55.803 0.006 0.000 1.022 4 Q CB 0.000 28.742 28.738 0.006 0.000 1.108 5 L N 3.041 124.268 121.223 0.006 0.000 2.027 5 L HA -0.013 4.329 4.340 0.004 0.000 0.206 5 L C 0.780 177.656 176.870 0.009 0.000 1.074 5 L CA 1.928 56.772 54.840 0.007 0.000 0.745 5 L CB -0.155 41.908 42.059 0.006 0.000 0.898 5 L HN 0.809 nan 8.230 nan 0.000 0.433 6 Q N 0.709 120.515 119.800 0.009 0.000 2.221 6 Q HA 0.454 4.796 4.340 0.004 0.000 0.242 6 Q C -0.316 175.692 176.000 0.013 0.000 0.940 6 Q CA -0.182 55.628 55.803 0.011 0.000 0.896 6 Q CB 0.972 29.716 28.738 0.011 0.000 1.226 6 Q HN 0.303 nan 8.270 nan 0.000 0.463 7 A N 2.123 124.953 122.820 0.017 0.000 2.407 7 A HA 0.193 4.515 4.320 0.004 0.000 0.248 7 A C 0.949 178.544 177.584 0.018 0.000 1.082 7 A CA -0.289 51.759 52.037 0.019 0.000 0.785 7 A CB 0.222 19.236 19.000 0.024 0.000 1.020 7 A HN 0.878 nan 8.150 nan 0.000 0.489 8 R N 0.416 120.925 120.500 0.016 0.000 2.193 8 R HA -0.145 4.197 4.340 0.004 0.000 0.229 8 R C 2.140 178.450 176.300 0.017 0.000 1.110 8 R CA 1.614 57.723 56.100 0.014 0.000 0.988 8 R CB -0.207 30.099 30.300 0.011 0.000 0.871 8 R HN 0.879 nan 8.270 nan 0.000 0.458 9 R N 0.799 121.312 120.500 0.021 0.000 2.241 9 R HA -0.108 4.234 4.340 0.004 0.000 0.224 9 R C 1.330 177.647 176.300 0.029 0.000 1.101 9 R CA 1.218 57.333 56.100 0.026 0.000 0.995 9 R CB -0.409 29.912 30.300 0.035 0.000 0.870 9 R HN 0.253 nan 8.270 nan 0.000 0.463 10 L N 1.131 122.371 121.223 0.027 0.000 2.591 10 L HA 0.120 4.462 4.340 0.004 0.000 0.228 10 L C -0.198 176.686 176.870 0.023 0.000 1.133 10 L CA -0.245 54.610 54.840 0.026 0.000 0.880 10 L CB -0.396 41.676 42.059 0.022 0.000 1.033 10 L HN 0.056 nan 8.230 nan 0.000 0.450 11 D N 1.559 121.971 120.400 0.021 0.000 2.487 11 D HA 0.185 4.827 4.640 0.004 0.000 0.243 11 D C 1.328 177.642 176.300 0.024 0.000 1.154 11 D CA 1.346 55.358 54.000 0.019 0.000 0.876 11 D CB 0.904 41.713 40.800 0.015 0.000 1.161 11 D HN 0.299 nan 8.370 nan 0.000 0.478 12 G N 2.438 111.254 108.800 0.027 0.000 2.162 12 G HA2 -0.290 3.673 3.960 0.004 0.000 0.260 12 G HA3 -0.290 3.673 3.960 0.004 0.000 0.260 12 G C 0.815 175.744 174.900 0.049 0.000 0.976 12 G CA 0.538 45.658 45.100 0.034 0.000 0.655 12 G HN 0.694 nan 8.290 nan 0.000 0.533 13 I N -2.169 118.428 120.570 0.045 0.000 3.947 13 I HA 0.326 4.498 4.170 0.004 0.000 0.327 13 I C 1.309 177.450 176.117 0.040 0.000 1.519 13 I CA 0.411 61.739 61.300 0.047 0.000 1.122 13 I CB 0.151 38.173 38.000 0.037 0.000 1.146 13 I HN 0.041 nan 8.210 nan 0.000 0.442 14 D N 1.022 121.453 120.400 0.051 0.000 2.289 14 D HA -0.178 4.464 4.640 0.004 0.000 0.207 14 D C 0.680 177.012 176.300 0.052 0.000 0.966 14 D CA 0.264 54.288 54.000 0.039 0.000 0.868 14 D CB -0.218 40.606 40.800 0.040 0.000 0.943 14 D HN 0.500 nan 8.370 nan 0.000 0.514 15 Y N 2.224 122.499 120.300 -0.042 0.000 2.436 15 Y HA 0.266 4.818 4.550 0.004 0.000 0.336 15 Y C -0.406 175.443 175.900 -0.084 0.000 1.049 15 Y CA -0.855 57.203 58.100 -0.069 0.000 1.294 15 Y CB 0.392 38.804 38.460 -0.079 0.000 1.179 15 Y HN -0.235 nan 8.280 nan 0.000 0.520 16 N N 9.024 127.275 118.700 -0.749 0.000 2.518 16 N HA 0.297 5.039 4.740 0.004 0.000 0.254 16 N C -2.217 172.695 175.510 -0.998 0.000 0.979 16 N CA -2.461 50.214 53.050 -0.626 0.000 0.930 16 N CB 1.651 39.972 38.487 -0.276 0.000 1.152 16 N HN 0.411 nan 8.380 nan 0.000 0.505 17 P HA -0.032 nan 4.420 nan 0.000 0.223 17 P C 0.923 177.403 177.300 -1.367 0.000 1.151 17 P CA 0.806 63.106 63.100 -1.334 0.000 0.787 17 P CB 0.125 31.118 31.700 -1.179 0.000 0.788 18 W N 1.028 121.939 121.300 -0.650 0.000 2.374 18 W HA -0.117 4.546 4.660 0.005 0.000 0.288 18 W C 2.495 178.872 176.519 -0.237 0.000 1.218 18 W CA 1.037 58.187 57.345 -0.325 0.000 1.245 18 W CB -1.317 28.076 29.460 -0.112 0.000 1.126 18 W HN -0.162 nan 8.180 nan 0.000 0.545 19 V N -1.381 118.475 119.914 -0.097 0.000 2.343 19 V HA -0.261 3.862 4.120 0.004 0.000 0.247 19 V C 1.726 177.783 176.094 -0.062 0.000 1.051 19 V CA 2.179 64.447 62.300 -0.055 0.000 1.036 19 V CB -1.125 30.649 31.823 -0.081 0.000 0.654 19 V HN 0.193 nan 8.190 nan 0.000 0.451 20 E N 0.469 120.557 120.200 -0.187 0.000 2.051 20 E HA -0.122 4.230 4.350 0.004 0.000 0.192 20 E C 2.013 178.649 176.600 0.061 0.000 0.991 20 E CA 2.035 58.374 56.400 -0.102 0.000 0.799 20 E CB -0.392 29.195 29.700 -0.189 0.000 0.748 20 E HN 0.742 nan 8.360 nan 0.000 0.449 21 F N 0.233 120.171 119.950 -0.020 0.000 2.095 21 F HA -0.240 4.289 4.527 0.003 0.000 0.298 21 F C 2.436 178.276 175.800 0.067 0.000 1.104 21 F CA 0.312 58.312 58.000 -0.001 0.000 1.232 21 F CB -0.302 38.682 39.000 -0.027 0.000 0.987 21 F HN -0.072 nan 8.300 nan 0.000 0.475 22 V N 0.324 120.420 119.914 0.303 0.000 2.343 22 V HA -0.302 3.820 4.120 0.004 0.000 0.247 22 V C 2.299 178.485 176.094 0.153 0.000 1.051 22 V CA 1.907 64.344 62.300 0.227 0.000 1.036 22 V CB -0.578 31.373 31.823 0.214 0.000 0.654 22 V HN 0.265 nan 8.190 nan 0.000 0.451 23 K N -0.278 120.194 120.400 0.120 0.000 2.002 23 K HA -0.211 4.111 4.320 0.004 0.000 0.209 23 K C 2.180 178.843 176.600 0.104 0.000 1.048 23 K CA 1.743 58.082 56.287 0.088 0.000 0.930 23 K CB -0.266 32.269 32.500 0.058 0.000 0.714 23 K HN 0.311 nan 8.250 nan 0.000 0.438 24 L N 1.117 122.418 121.223 0.129 0.000 2.017 24 L HA -0.112 4.230 4.340 0.004 0.000 0.208 24 L C 2.233 179.215 176.870 0.187 0.000 1.073 24 L CA 2.160 57.094 54.840 0.156 0.000 0.745 24 L CB -0.808 41.328 42.059 0.127 0.000 0.894 24 L HN 0.261 nan 8.230 nan 0.000 0.432 25 A N -0.969 121.935 122.820 0.140 0.000 1.940 25 A HA -0.245 4.077 4.320 0.004 0.000 0.219 25 A C 2.446 180.100 177.584 0.117 0.000 1.176 25 A CA 2.074 54.181 52.037 0.117 0.000 0.631 25 A CB -1.146 17.915 19.000 0.102 0.000 0.814 25 A HN 0.681 nan 8.150 nan 0.000 0.446 26 S N -0.590 115.172 115.700 0.103 0.000 2.515 26 S HA -0.050 4.422 4.470 0.004 0.000 0.231 26 S C 1.167 175.784 174.600 0.029 0.000 0.987 26 S CA 1.165 59.406 58.200 0.068 0.000 0.936 26 S CB -0.252 62.986 63.200 0.063 0.000 0.766 26 S HN 0.674 nan 8.310 nan 0.000 0.528 27 E N 0.194 120.411 120.200 0.029 0.000 2.481 27 E HA 0.204 4.556 4.350 0.004 0.000 0.198 27 E C -0.192 176.163 176.600 -0.409 0.000 1.027 27 E CA -0.017 56.300 56.400 -0.138 0.000 0.900 27 E CB 0.288 29.907 29.700 -0.135 0.000 0.993 27 E HN 0.642 nan 8.360 nan 0.000 0.482 28 H N -0.426 118.635 119.070 -0.015 0.000 2.946 28 H HA 0.144 4.703 4.556 0.004 0.000 0.365 28 H C -1.097 174.215 175.328 -0.027 0.000 1.197 28 H CA -0.965 55.064 56.048 -0.032 0.000 1.131 28 H CB 1.754 31.483 29.762 -0.056 0.000 1.849 28 H HN -0.062 nan 8.280 nan 0.000 0.555 29 D N 2.091 122.543 120.400 0.086 0.000 2.338 29 D HA 0.297 4.940 4.640 0.004 0.000 0.255 29 D C -0.536 175.785 176.300 0.034 0.000 1.237 29 D CA -0.049 53.975 54.000 0.040 0.000 0.883 29 D CB 0.100 40.910 40.800 0.018 0.000 1.087 29 D HN 0.398 nan 8.370 nan 0.000 0.485 30 V N 1.019 120.953 119.914 0.034 0.000 3.087 30 V HA 0.587 4.709 4.120 0.004 0.000 0.306 30 V C -0.650 175.464 176.094 0.033 0.000 1.187 30 V CA -1.062 61.252 62.300 0.024 0.000 0.999 30 V CB 1.790 33.628 31.823 0.025 0.000 1.049 30 V HN 0.119 nan 8.190 nan 0.000 0.431 31 V N 2.912 122.849 119.914 0.039 0.000 2.364 31 V HA 0.415 4.537 4.120 0.004 0.000 0.272 31 V C 0.237 176.366 176.094 0.057 0.000 1.036 31 V CA -0.249 62.082 62.300 0.051 0.000 0.880 31 V CB 0.959 32.821 31.823 0.065 0.000 0.991 31 V HN 0.929 nan 8.190 nan 0.000 0.460 32 N N 5.168 123.892 118.700 0.040 0.000 2.521 32 N HA 0.292 5.034 4.740 0.004 0.000 0.236 32 N C 0.249 175.772 175.510 0.022 0.000 1.067 32 N CA -0.140 52.926 53.050 0.027 0.000 0.939 32 N CB 0.927 39.421 38.487 0.012 0.000 1.201 32 N HN 0.669 nan 8.380 nan 0.000 0.511 33 L N 1.545 122.814 121.223 0.077 0.000 2.700 33 L HA 0.304 4.646 4.340 0.004 0.000 0.234 33 L C 1.861 178.784 176.870 0.089 0.000 1.156 33 L CA -0.124 54.794 54.840 0.130 0.000 0.946 33 L CB 0.417 42.681 42.059 0.343 0.000 1.216 33 L HN 0.455 nan 8.230 nan 0.000 0.493 34 G N -0.834 107.986 108.800 0.033 0.000 2.492 34 G HA2 -0.047 3.915 3.960 0.004 0.000 0.214 34 G HA3 -0.047 3.915 3.960 0.004 0.000 0.214 34 G C 0.706 175.681 174.900 0.125 0.000 1.147 34 G CA -0.218 44.916 45.100 0.058 0.000 0.809 34 G HN 0.306 nan 8.290 nan 0.000 0.533 35 Q N 0.810 120.596 119.800 -0.023 0.000 2.262 35 Q HA 0.331 4.673 4.340 0.004 0.000 0.272 35 Q C 0.626 176.491 176.000 -0.227 0.000 1.076 35 Q CA -0.136 55.515 55.803 -0.253 0.000 0.905 35 Q CB 1.103 29.369 28.738 -0.786 0.000 1.182 35 Q HN 0.185 nan 8.270 nan 0.000 0.390 36 G N 4.058 112.932 108.800 0.122 0.000 3.581 36 G HA2 0.375 4.338 3.960 0.004 0.000 0.255 36 G HA3 0.375 4.338 3.960 0.004 0.000 0.255 36 G C -0.554 174.625 174.900 0.465 0.000 1.121 36 G CA -0.120 45.255 45.100 0.460 0.000 1.739 36 G HN 0.531 nan 8.290 nan 0.000 0.646 37 F N -2.726 117.294 119.950 0.116 0.000 2.693 37 F HA 0.677 5.206 4.527 0.004 0.000 0.309 37 F C -3.106 172.551 175.800 -0.238 0.000 1.129 37 F CA -3.442 54.556 58.000 -0.003 0.000 0.948 37 F CB 0.642 39.673 39.000 0.051 0.000 1.315 37 F HN -0.186 nan 8.300 nan 0.000 0.447 38 P HA 0.144 nan 4.420 nan 0.000 0.269 38 P C -0.353 176.730 177.300 -0.362 0.000 1.209 38 P CA 0.087 62.811 63.100 -0.627 0.000 0.776 38 P CB 0.595 31.656 31.700 -1.066 0.000 0.876 39 D N 1.316 121.483 120.400 -0.388 0.000 2.463 39 D HA 0.108 4.750 4.640 0.004 0.000 0.224 39 D C -0.180 176.129 176.300 0.015 0.000 1.174 39 D CA -0.253 53.694 54.000 -0.088 0.000 0.829 39 D CB -0.760 40.037 40.800 -0.006 0.000 0.993 39 D HN 0.275 nan 8.370 nan 0.000 0.497 40 F N -1.297 118.703 119.950 0.084 0.000 2.618 40 F HA 0.837 5.366 4.527 0.003 0.000 0.332 40 F C -2.708 173.127 175.800 0.058 0.000 1.061 40 F CA -3.063 54.981 58.000 0.074 0.000 0.974 40 F CB -0.426 38.626 39.000 0.087 0.000 1.310 40 F HN -0.394 nan 8.300 nan 0.000 0.491 41 P HA 0.315 nan 4.420 nan 0.000 0.272 41 P C -2.603 174.781 177.300 0.140 0.000 1.223 41 P CA -0.802 62.389 63.100 0.152 0.000 0.784 41 P CB -0.018 31.750 31.700 0.113 0.000 0.923 42 P HA 0.139 nan 4.420 nan 0.000 0.271 42 P C -2.282 174.880 177.300 -0.231 0.000 1.233 42 P CA -1.059 61.924 63.100 -0.196 0.000 0.789 42 P CB -1.123 30.381 31.700 -0.327 0.000 0.951 43 P HA -0.018 nan 4.420 nan 0.000 0.269 43 P C 0.094 177.130 177.300 -0.438 0.000 1.215 43 P CA 0.178 63.002 63.100 -0.460 0.000 0.780 43 P CB 0.608 31.766 31.700 -0.903 0.000 0.898 44 D N 1.416 121.709 120.400 -0.178 0.000 2.133 44 D HA -0.185 4.457 4.640 0.004 0.000 0.195 44 D C 1.687 177.905 176.300 -0.137 0.000 0.997 44 D CA 1.538 55.479 54.000 -0.100 0.000 0.840 44 D CB -0.765 40.042 40.800 0.012 0.000 0.947 44 D HN 0.552 nan 8.370 nan 0.000 0.452 45 F N 0.523 120.398 119.950 -0.125 0.000 2.269 45 F HA 0.044 4.573 4.527 0.003 0.000 0.301 45 F C 2.151 177.853 175.800 -0.163 0.000 1.082 45 F CA 0.901 58.819 58.000 -0.136 0.000 1.360 45 F CB -0.647 38.260 39.000 -0.156 0.000 1.041 45 F HN -0.062 nan 8.300 nan 0.000 0.512 46 A N 1.069 123.329 122.820 -0.934 0.000 1.874 46 A HA 0.029 4.351 4.320 0.004 0.000 0.214 46 A C 2.288 179.860 177.584 -0.020 0.000 1.189 46 A CA 1.501 53.186 52.037 -0.586 0.000 0.615 46 A CB -1.250 17.195 19.000 -0.926 0.000 0.830 46 A HN 0.258 nan 8.150 nan 0.000 0.443 47 V N 0.458 120.332 119.914 -0.066 0.000 2.343 47 V HA -0.287 3.836 4.120 0.004 0.000 0.247 47 V C 2.389 178.468 176.094 -0.026 0.000 1.051 47 V CA 2.355 64.706 62.300 0.086 0.000 1.036 47 V CB -0.952 30.882 31.823 0.017 0.000 0.654 47 V HN 0.635 nan 8.190 nan 0.000 0.451 48 E N 0.332 120.447 120.200 -0.141 0.000 2.085 48 E HA -0.216 4.136 4.350 0.004 0.000 0.194 48 E C 2.331 178.574 176.600 -0.597 0.000 0.994 48 E CA 1.320 57.506 56.400 -0.357 0.000 0.801 48 E CB -0.380 29.169 29.700 -0.252 0.000 0.743 48 E HN 0.613 nan 8.360 nan 0.000 0.453 49 A N 0.952 123.632 122.820 -0.233 0.000 1.908 49 A HA -0.199 4.123 4.320 0.004 0.000 0.218 49 A C 1.991 179.545 177.584 -0.049 0.000 1.181 49 A CA 1.117 53.102 52.037 -0.086 0.000 0.627 49 A CB -0.802 18.193 19.000 -0.009 0.000 0.818 49 A HN 0.359 nan 8.150 nan 0.000 0.445 50 F N 0.067 119.864 119.950 -0.255 0.000 2.163 50 F HA -0.208 4.322 4.527 0.006 0.000 0.297 50 F C 2.726 178.385 175.800 -0.234 0.000 1.094 50 F CA 1.258 59.052 58.000 -0.344 0.000 1.290 50 F CB -0.058 38.646 39.000 -0.494 0.000 1.017 50 F HN 0.309 nan 8.300 nan 0.000 0.483 51 Q N -0.551 119.210 119.800 -0.065 0.000 2.096 51 Q HA -0.271 4.071 4.340 0.004 0.000 0.204 51 Q C 1.705 177.700 176.000 -0.008 0.000 0.982 51 Q CA 2.150 57.883 55.803 -0.117 0.000 0.850 51 Q CB -0.424 28.222 28.738 -0.154 0.000 0.901 51 Q HN 0.648 nan 8.270 nan 0.000 0.422 52 H N -0.412 118.670 119.070 0.020 0.000 2.357 52 H HA -0.054 4.504 4.556 0.003 0.000 0.301 52 H C 2.119 177.455 175.328 0.013 0.000 1.082 52 H CA 0.562 56.618 56.048 0.014 0.000 1.342 52 H CB 0.040 29.813 29.762 0.018 0.000 1.389 52 H HN 0.318 nan 8.280 nan 0.000 0.511 53 A N 0.965 123.870 122.820 0.141 0.000 1.933 53 A HA -0.130 4.192 4.320 0.004 0.000 0.218 53 A C 2.401 180.016 177.584 0.052 0.000 1.175 53 A CA 1.676 53.755 52.037 0.071 0.000 0.628 53 A CB -0.705 18.312 19.000 0.028 0.000 0.814 53 A HN 0.356 nan 8.150 nan 0.000 0.444 54 V N -2.076 117.863 119.914 0.042 0.000 3.623 54 V HA 0.103 4.225 4.120 0.004 0.000 0.271 54 V C 1.392 177.485 176.094 -0.002 0.000 1.248 54 V CA 1.546 63.838 62.300 -0.013 0.000 1.156 54 V CB -0.378 31.376 31.823 -0.115 0.000 0.870 54 V HN 0.664 nan 8.190 nan 0.000 0.453 55 S N -1.185 114.532 115.700 0.029 0.000 2.701 55 S HA 0.529 5.002 4.470 0.004 0.000 0.242 55 S C 1.012 175.643 174.600 0.052 0.000 1.025 55 S CA 0.237 58.459 58.200 0.037 0.000 1.016 55 S CB 0.439 63.662 63.200 0.039 0.000 0.977 55 S HN 0.747 nan 8.310 nan 0.000 0.546 56 G N 1.445 110.276 108.800 0.053 0.000 2.975 56 G HA2 0.332 4.295 3.960 0.004 0.000 0.159 56 G HA3 0.332 4.295 3.960 0.004 0.000 0.159 56 G C -0.674 174.252 174.900 0.042 0.000 1.525 56 G CA -0.378 44.747 45.100 0.042 0.000 1.075 56 G HN 0.349 nan 8.290 nan 0.000 0.574 57 D N 0.167 120.570 120.400 0.004 0.000 2.581 57 D HA -0.051 4.592 4.640 0.004 0.000 0.238 57 D C 1.475 177.739 176.300 -0.061 0.000 1.145 57 D CA -0.281 53.681 54.000 -0.064 0.000 0.866 57 D CB 0.163 40.904 40.800 -0.099 0.000 1.151 57 D HN 0.198 nan 8.370 nan 0.000 0.500 58 F N 3.036 122.985 119.950 -0.001 0.000 2.333 58 F HA -0.095 4.436 4.527 0.006 0.000 0.300 58 F C 1.687 177.478 175.800 -0.015 0.000 1.083 58 F CA 0.432 58.425 58.000 -0.012 0.000 1.395 58 F CB -0.585 38.406 39.000 -0.016 0.000 1.056 58 F HN 0.228 nan 8.300 nan 0.000 0.529 59 M N 0.855 120.204 119.600 -0.419 0.000 2.557 59 M HA 0.038 4.520 4.480 0.004 0.000 0.259 59 M C 1.868 178.122 176.300 -0.077 0.000 1.086 59 M CA 0.776 55.940 55.300 -0.225 0.000 1.096 59 M CB -1.136 31.264 32.600 -0.334 0.000 1.424 59 M HN 0.389 nan 8.290 nan 0.000 0.488 60 L N -0.101 121.084 121.223 -0.063 0.000 2.456 60 L HA -0.161 4.181 4.340 0.004 0.000 0.224 60 L C 1.691 178.539 176.870 -0.038 0.000 1.148 60 L CA 0.426 55.237 54.840 -0.050 0.000 0.825 60 L CB -0.686 41.333 42.059 -0.067 0.000 0.937 60 L HN 0.355 nan 8.230 nan 0.000 0.450 61 N N -0.661 118.036 118.700 -0.006 0.000 2.515 61 N HA -0.020 4.723 4.740 0.004 0.000 0.185 61 N C 0.505 175.980 175.510 -0.057 0.000 1.109 61 N CA 0.514 53.554 53.050 -0.016 0.000 0.903 61 N CB 0.306 38.803 38.487 0.016 0.000 0.969 61 N HN 0.399 nan 8.380 nan 0.000 0.450 62 Q N -0.281 119.487 119.800 -0.054 0.000 2.240 62 Q HA 0.265 4.607 4.340 0.004 0.000 0.260 62 Q C -0.132 175.838 176.000 -0.050 0.000 1.018 62 Q CA -0.761 54.971 55.803 -0.119 0.000 0.898 62 Q CB 0.350 29.040 28.738 -0.080 0.000 1.301 62 Q HN 0.174 nan 8.270 nan 0.000 0.469 63 Y N 0.204 120.449 120.300 -0.091 0.000 2.903 63 Y HA -0.078 4.475 4.550 0.005 0.000 0.338 63 Y C 1.404 177.316 175.900 0.019 0.000 1.265 63 Y CA 0.563 58.587 58.100 -0.128 0.000 1.532 63 Y CB 0.425 38.754 38.460 -0.218 0.000 1.293 63 Y HN 0.443 nan 8.280 nan 0.000 0.609 64 T N 2.671 117.390 114.554 0.275 0.000 2.876 64 T HA 0.273 4.625 4.350 0.004 0.000 0.277 64 T C -0.344 174.520 174.700 0.274 0.000 0.997 64 T CA -1.114 61.146 62.100 0.267 0.000 0.966 64 T CB 0.566 69.618 68.868 0.306 0.000 1.312 64 T HN 0.326 nan 8.240 nan 0.000 0.598 65 K N 1.821 122.342 120.400 0.201 0.000 2.382 65 K HA 0.088 4.410 4.320 0.004 0.000 0.275 65 K C 1.367 177.988 176.600 0.035 0.000 1.009 65 K CA 0.099 56.446 56.287 0.099 0.000 0.970 65 K CB 0.812 33.343 32.500 0.053 0.000 0.934 65 K HN 0.773 nan 8.250 nan 0.000 0.479 66 T N 1.427 115.862 114.554 -0.198 0.000 2.665 66 T HA -0.158 4.195 4.350 0.004 0.000 0.268 66 T C 1.072 175.552 174.700 -0.366 0.000 1.035 66 T CA 1.635 63.443 62.100 -0.488 0.000 1.151 66 T CB -0.091 68.046 68.868 -1.218 0.000 0.862 66 T HN 0.435 nan 8.240 nan 0.000 0.438 67 F N 1.081 120.986 119.950 -0.075 0.000 2.765 67 F HA 0.538 5.065 4.527 -0.001 0.000 0.302 67 F C 1.381 177.130 175.800 -0.085 0.000 1.111 67 F CA -0.123 57.777 58.000 -0.168 0.000 1.359 67 F CB -0.076 38.833 39.000 -0.151 0.000 1.097 67 F HN 0.401 nan 8.300 nan 0.000 0.577 68 G N -0.992 107.882 108.800 0.123 0.000 2.318 68 G HA2 0.082 4.044 3.960 0.004 0.000 0.302 68 G HA3 0.082 4.044 3.960 0.004 0.000 0.302 68 G C -1.778 173.235 174.900 0.188 0.000 1.633 68 G CA -1.342 43.855 45.100 0.161 0.000 0.965 68 G HN -0.123 nan 8.290 nan 0.000 0.698 69 Y N 3.453 123.805 120.300 0.087 0.000 2.745 69 Y HA 0.320 4.875 4.550 0.009 0.000 0.335 69 Y C -1.096 174.837 175.900 0.054 0.000 1.212 69 Y CA -0.788 57.353 58.100 0.070 0.000 1.535 69 Y CB 0.999 39.499 38.460 0.066 0.000 1.220 69 Y HN 0.340 nan 8.280 nan 0.000 0.531 70 P HA -0.145 nan 4.420 nan 0.000 0.216 70 P C -1.359 175.766 177.300 -0.292 0.000 1.153 70 P CA 1.892 64.851 63.100 -0.235 0.000 0.858 70 P CB -0.525 31.058 31.700 -0.195 0.000 0.789 71 P HA -0.147 nan 4.420 nan 0.000 0.218 71 P C 1.565 178.814 177.300 -0.085 0.000 1.148 71 P CA 0.882 63.805 63.100 -0.294 0.000 0.822 71 P CB -0.372 31.122 31.700 -0.343 0.000 0.784 72 L N -0.194 121.035 121.223 0.009 0.000 2.044 72 L HA -0.081 4.261 4.340 0.004 0.000 0.205 72 L C 2.180 179.065 176.870 0.025 0.000 1.075 72 L CA 2.512 57.423 54.840 0.119 0.000 0.747 72 L CB -1.865 40.351 42.059 0.262 0.000 0.903 72 L HN 0.030 nan 8.230 nan 0.000 0.435 73 T N -2.921 111.642 114.554 0.014 0.000 2.833 73 T HA -0.239 4.113 4.350 0.004 0.000 0.269 73 T C 1.963 176.645 174.700 -0.031 0.000 1.054 73 T CA 1.548 63.644 62.100 -0.007 0.000 1.135 73 T CB -0.476 68.402 68.868 0.018 0.000 0.869 73 T HN 0.398 nan 8.240 nan 0.000 0.466 74 K N 0.423 120.798 120.400 -0.041 0.000 2.002 74 K HA -0.048 4.274 4.320 0.004 0.000 0.209 74 K C 2.261 178.838 176.600 -0.037 0.000 1.048 74 K CA 1.436 57.698 56.287 -0.041 0.000 0.930 74 K CB -0.345 32.122 32.500 -0.055 0.000 0.714 74 K HN 0.328 nan 8.250 nan 0.000 0.438 75 I N 1.398 121.945 120.570 -0.039 0.000 2.439 75 I HA -0.173 3.999 4.170 0.004 0.000 0.251 75 I C 1.778 177.843 176.117 -0.087 0.000 1.139 75 I CA 1.051 62.324 61.300 -0.046 0.000 1.438 75 I CB -0.022 37.968 38.000 -0.016 0.000 1.085 75 I HN 0.208 nan 8.210 nan 0.000 0.427 76 L N 0.127 121.266 121.223 -0.140 0.000 2.046 76 L HA -0.196 4.147 4.340 0.004 0.000 0.208 76 L C 2.675 179.555 176.870 0.016 0.000 1.077 76 L CA 1.440 56.186 54.840 -0.156 0.000 0.747 76 L CB -1.012 40.849 42.059 -0.330 0.000 0.896 76 L HN 0.295 nan 8.230 nan 0.000 0.432 77 A N -0.970 121.843 122.820 -0.012 0.000 1.902 77 A HA -0.237 4.086 4.320 0.004 0.000 0.217 77 A C 2.544 180.128 177.584 -0.000 0.000 1.181 77 A CA 2.118 54.159 52.037 0.008 0.000 0.623 77 A CB -0.714 18.283 19.000 -0.005 0.000 0.818 77 A HN 0.378 nan 8.150 nan 0.000 0.443 78 S N -1.647 114.050 115.700 -0.006 0.000 2.345 78 S HA -0.130 4.342 4.470 0.004 0.000 0.220 78 S C 1.802 176.406 174.600 0.007 0.000 1.031 78 S CA 1.624 59.821 58.200 -0.005 0.000 0.996 78 S CB -0.493 62.706 63.200 -0.001 0.000 0.882 78 S HN 0.523 nan 8.310 nan 0.000 0.445 79 F N 1.216 121.040 119.950 -0.209 0.000 2.084 79 F HA 0.130 4.657 4.527 0.000 0.000 0.296 79 F C 1.661 177.218 175.800 -0.406 0.000 1.111 79 F CA 1.139 58.925 58.000 -0.356 0.000 1.224 79 F CB -0.844 37.862 39.000 -0.489 0.000 0.991 79 F HN 0.270 nan 8.300 nan 0.000 0.471 80 F N 0.314 120.134 119.950 -0.218 0.000 2.407 80 F HA 0.089 4.616 4.527 -0.001 0.000 0.299 80 F C 2.603 178.287 175.800 -0.194 0.000 1.097 80 F CA 0.981 58.829 58.000 -0.254 0.000 1.422 80 F CB -1.306 37.604 39.000 -0.149 0.000 1.067 80 F HN 0.043 nan 8.300 nan 0.000 0.539 81 G N -0.183 108.596 108.800 -0.034 0.000 2.446 81 G HA2 -0.300 3.663 3.960 0.004 0.000 0.217 81 G HA3 -0.300 3.663 3.960 0.004 0.000 0.217 81 G C 1.646 176.468 174.900 -0.131 0.000 1.168 81 G CA 0.966 46.004 45.100 -0.103 0.000 0.771 81 G HN 0.402 nan 8.290 nan 0.000 0.551 82 E N 0.410 120.519 120.200 -0.152 0.000 2.058 82 E HA -0.118 4.234 4.350 0.004 0.000 0.194 82 E C 2.535 179.034 176.600 -0.168 0.000 0.997 82 E CA 0.891 57.200 56.400 -0.153 0.000 0.801 82 E CB -0.290 29.310 29.700 -0.167 0.000 0.746 82 E HN 0.471 nan 8.360 nan 0.000 0.450 83 L N 0.425 121.486 121.223 -0.270 0.000 2.093 83 L HA -0.126 4.216 4.340 0.004 0.000 0.208 83 L C 2.576 179.411 176.870 -0.057 0.000 1.085 83 L CA 0.750 55.475 54.840 -0.191 0.000 0.755 83 L CB -0.191 41.687 42.059 -0.302 0.000 0.904 83 L HN 0.188 nan 8.230 nan 0.000 0.435 84 L N -0.559 120.639 121.223 -0.042 0.000 2.509 84 L HA 0.173 4.515 4.340 0.004 0.000 0.222 84 L C 1.190 178.024 176.870 -0.061 0.000 1.123 84 L CA 0.327 55.159 54.840 -0.014 0.000 0.856 84 L CB -0.391 41.682 42.059 0.023 0.000 0.985 84 L HN 0.442 nan 8.230 nan 0.000 0.456 85 G N 1.217 109.965 108.800 -0.086 0.000 2.314 85 G HA2 -0.298 3.664 3.960 0.004 0.000 0.292 85 G HA3 -0.298 3.664 3.960 0.004 0.000 0.292 85 G C -0.172 174.629 174.900 -0.165 0.000 1.059 85 G CA 0.359 45.401 45.100 -0.097 0.000 0.982 85 G HN 0.391 nan 8.290 nan 0.000 0.505 86 Q N -0.334 119.323 119.800 -0.238 0.000 2.289 86 Q HA 0.536 4.878 4.340 0.004 0.000 0.270 86 Q C -0.559 175.219 176.000 -0.370 0.000 1.038 86 Q CA -0.767 54.782 55.803 -0.422 0.000 0.812 86 Q CB 1.162 29.463 28.738 -0.728 0.000 1.300 86 Q HN 0.178 nan 8.270 nan 0.000 0.427 87 E N 3.864 123.857 120.200 -0.345 0.000 2.265 87 E HA 0.215 4.568 4.350 0.004 0.000 0.272 87 E C -0.435 175.999 176.600 -0.277 0.000 1.067 87 E CA 0.208 56.463 56.400 -0.241 0.000 0.900 87 E CB 0.284 29.885 29.700 -0.164 0.000 1.017 87 E HN 0.552 nan 8.360 nan 0.000 0.431 88 I N 2.590 123.052 120.570 -0.180 0.000 2.362 88 I HA 0.100 4.272 4.170 0.004 0.000 0.289 88 I C 0.339 176.446 176.117 -0.017 0.000 0.994 88 I CA -0.845 60.404 61.300 -0.085 0.000 1.158 88 I CB 1.447 39.426 38.000 -0.034 0.000 1.315 88 I HN 0.184 nan 8.210 nan 0.000 0.451 89 D N 9.533 129.949 120.400 0.026 0.000 2.316 89 D HA 0.178 4.820 4.640 0.004 0.000 0.245 89 D C -1.602 174.714 176.300 0.026 0.000 1.171 89 D CA -2.186 51.826 54.000 0.020 0.000 0.856 89 D CB 1.807 42.625 40.800 0.030 0.000 1.090 89 D HN 0.221 nan 8.370 nan 0.000 0.476 90 P HA -0.146 nan 4.420 nan 0.000 0.220 90 P C 1.517 178.827 177.300 0.016 0.000 1.148 90 P CA 0.402 63.509 63.100 0.011 0.000 0.803 90 P CB 0.467 32.165 31.700 -0.003 0.000 0.782 91 L N -0.780 120.452 121.223 0.015 0.000 2.209 91 L HA 0.085 4.428 4.340 0.004 0.000 0.207 91 L C 2.322 179.182 176.870 -0.017 0.000 1.094 91 L CA 1.610 56.464 54.840 0.023 0.000 0.790 91 L CB -0.415 41.660 42.059 0.027 0.000 0.932 91 L HN -0.263 nan 8.230 nan 0.000 0.447 92 R N -1.289 119.198 120.500 -0.021 0.000 2.307 92 R HA 0.221 4.563 4.340 0.004 0.000 0.200 92 R C 0.642 176.911 176.300 -0.051 0.000 0.893 92 R CA 0.360 56.428 56.100 -0.052 0.000 1.042 92 R CB 0.226 30.515 30.300 -0.019 0.000 1.059 92 R HN 0.311 nan 8.270 nan 0.000 0.530 93 N N -0.224 118.479 118.700 0.006 0.000 2.159 93 N HA 0.122 4.864 4.740 0.004 0.000 0.217 93 N C -0.878 174.655 175.510 0.037 0.000 1.223 93 N CA 0.258 53.343 53.050 0.058 0.000 0.896 93 N CB 2.016 40.650 38.487 0.244 0.000 1.064 93 N HN -0.143 nan 8.380 nan 0.000 0.518 94 V N 1.706 121.619 119.914 -0.001 0.000 2.638 94 V HA 0.505 4.627 4.120 0.004 0.000 0.306 94 V C -0.993 175.092 176.094 -0.015 0.000 1.052 94 V CA -0.927 61.380 62.300 0.012 0.000 0.885 94 V CB 2.665 34.501 31.823 0.022 0.000 0.999 94 V HN -0.051 nan 8.190 nan 0.000 0.424 95 L N 5.436 126.661 121.223 0.003 0.000 2.409 95 L HA 0.739 5.081 4.340 0.004 0.000 0.272 95 L C -0.679 176.233 176.870 0.070 0.000 0.980 95 L CA -0.153 54.670 54.840 -0.027 0.000 0.826 95 L CB 2.083 44.067 42.059 -0.125 0.000 1.268 95 L HN 0.447 nan 8.230 nan 0.000 0.407 96 V N 3.760 123.722 119.914 0.081 0.000 2.546 96 V HA 0.710 4.832 4.120 0.004 0.000 0.284 96 V C 0.544 176.725 176.094 0.145 0.000 1.050 96 V CA 0.198 62.609 62.300 0.186 0.000 0.981 96 V CB 1.303 33.258 31.823 0.220 0.000 0.990 96 V HN 0.964 nan 8.190 nan 0.000 0.474 97 T N 0.755 115.434 114.554 0.208 0.000 2.864 97 T HA 0.562 4.914 4.350 0.004 0.000 0.289 97 T C -0.523 174.308 174.700 0.218 0.000 1.082 97 T CA -0.760 61.473 62.100 0.222 0.000 1.009 97 T CB 1.660 70.631 68.868 0.170 0.000 1.234 97 T HN 0.172 nan 8.240 nan 0.000 0.526 98 V N 2.266 122.308 119.914 0.213 0.000 2.229 98 V HA 0.554 4.676 4.120 0.004 0.000 0.245 98 V C 1.387 177.577 176.094 0.161 0.000 1.243 98 V CA 0.767 63.173 62.300 0.176 0.000 1.176 98 V CB -1.100 30.813 31.823 0.150 0.000 1.323 98 V HN 1.489 nan 8.190 nan 0.000 0.499 99 G N 3.939 112.823 108.800 0.140 0.000 2.855 99 G HA2 -0.051 3.911 3.960 0.004 0.000 0.352 99 G HA3 -0.051 3.911 3.960 0.004 0.000 0.352 99 G C 0.858 175.769 174.900 0.019 0.000 1.415 99 G CA -0.202 44.953 45.100 0.092 0.000 0.871 99 G HN 0.976 nan 8.290 nan 0.000 0.543 100 G N -1.167 107.583 108.800 -0.084 0.000 2.442 100 G HA2 -0.107 3.855 3.960 0.004 0.000 0.219 100 G HA3 -0.107 3.855 3.960 0.004 0.000 0.219 100 G C 1.479 176.380 174.900 0.001 0.000 1.141 100 G CA 2.029 47.032 45.100 -0.162 0.000 0.763 100 G HN 0.687 nan 8.290 nan 0.000 0.554 101 Y N 1.012 121.353 120.300 0.068 0.000 2.097 101 Y HA -0.086 4.466 4.550 0.003 0.000 0.282 101 Y C 3.092 179.109 175.900 0.194 0.000 1.152 101 Y CA 1.351 59.555 58.100 0.173 0.000 1.136 101 Y CB -0.404 38.139 38.460 0.138 0.000 0.975 101 Y HN 0.221 nan 8.280 nan 0.000 0.498 102 G N -0.856 108.138 108.800 0.323 0.000 2.422 102 G HA2 -0.253 3.710 3.960 0.004 0.000 0.218 102 G HA3 -0.253 3.710 3.960 0.004 0.000 0.218 102 G C 1.840 176.912 174.900 0.286 0.000 1.146 102 G CA 0.915 46.194 45.100 0.300 0.000 0.769 102 G HN 0.498 nan 8.290 nan 0.000 0.547 103 A N 0.665 123.584 122.820 0.164 0.000 1.877 103 A HA 0.068 4.391 4.320 0.004 0.000 0.216 103 A C 2.443 180.069 177.584 0.070 0.000 1.186 103 A CA 1.346 53.424 52.037 0.068 0.000 0.620 103 A CB -0.470 18.492 19.000 -0.063 0.000 0.822 103 A HN 0.348 nan 8.150 nan 0.000 0.443 104 L N -2.055 119.247 121.223 0.130 0.000 1.989 104 L HA -0.196 4.147 4.340 0.004 0.000 0.211 104 L C 2.491 179.577 176.870 0.359 0.000 1.071 104 L CA 1.908 56.864 54.840 0.193 0.000 0.749 104 L CB -0.619 41.672 42.059 0.387 0.000 0.890 104 L HN 0.508 nan 8.230 nan 0.000 0.431 105 F N 0.771 120.903 119.950 0.304 0.000 2.095 105 F HA -0.273 4.256 4.527 0.004 0.000 0.298 105 F C 2.491 178.415 175.800 0.207 0.000 1.104 105 F CA 2.194 60.375 58.000 0.302 0.000 1.232 105 F CB -0.618 38.517 39.000 0.226 0.000 0.987 105 F HN -0.023 nan 8.300 nan 0.000 0.475 106 T N 0.693 115.309 114.554 0.104 0.000 2.720 106 T HA -0.205 4.148 4.350 0.004 0.000 0.268 106 T C 2.220 176.839 174.700 -0.136 0.000 1.037 106 T CA 1.524 63.600 62.100 -0.039 0.000 1.144 106 T CB -0.920 68.006 68.868 0.096 0.000 0.864 106 T HN 0.394 nan 8.240 nan 0.000 0.444 107 A N 0.939 123.667 122.820 -0.152 0.000 1.877 107 A HA 0.008 4.330 4.320 0.004 0.000 0.216 107 A C 1.987 179.383 177.584 -0.314 0.000 1.186 107 A CA 1.331 53.200 52.037 -0.280 0.000 0.620 107 A CB -0.998 17.756 19.000 -0.411 0.000 0.822 107 A HN 0.440 nan 8.150 nan 0.000 0.443 108 F N 0.101 119.950 119.950 -0.169 0.000 2.134 108 F HA -0.170 4.361 4.527 0.007 0.000 0.299 108 F C 2.765 178.427 175.800 -0.229 0.000 1.097 108 F CA 1.647 59.542 58.000 -0.174 0.000 1.264 108 F CB -0.349 38.579 39.000 -0.120 0.000 1.001 108 F HN 0.196 nan 8.300 nan 0.000 0.479 109 Q N -0.210 119.478 119.800 -0.187 0.000 2.224 109 Q HA -0.043 4.299 4.340 0.004 0.000 0.203 109 Q C 2.439 178.346 176.000 -0.155 0.000 0.970 109 Q CA 1.189 56.839 55.803 -0.255 0.000 0.865 109 Q CB -0.623 27.800 28.738 -0.525 0.000 0.922 109 Q HN 0.439 nan 8.270 nan 0.000 0.445 110 A N 0.067 122.800 122.820 -0.144 0.000 1.930 110 A HA -0.014 4.309 4.320 0.004 0.000 0.215 110 A C 1.938 179.445 177.584 -0.129 0.000 1.176 110 A CA 0.844 52.818 52.037 -0.106 0.000 0.632 110 A CB -0.095 18.857 19.000 -0.079 0.000 0.819 110 A HN 0.297 nan 8.150 nan 0.000 0.445 111 L N -1.202 119.941 121.223 -0.134 0.000 2.609 111 L HA 0.192 4.535 4.340 0.004 0.000 0.230 111 L C -0.216 176.593 176.870 -0.101 0.000 1.064 111 L CA -0.042 54.714 54.840 -0.140 0.000 0.873 111 L CB 0.456 42.416 42.059 -0.165 0.000 1.139 111 L HN 0.005 nan 8.230 nan 0.000 0.490 112 V N 1.069 120.949 119.914 -0.056 0.000 2.432 112 V HA 0.300 4.422 4.120 0.004 0.000 0.275 112 V C -0.617 175.457 176.094 -0.033 0.000 1.043 112 V CA -0.229 62.060 62.300 -0.018 0.000 0.925 112 V CB 1.619 33.489 31.823 0.078 0.000 0.985 112 V HN 0.063 nan 8.190 nan 0.000 0.466 113 D N 1.845 122.220 120.400 -0.041 0.000 2.493 113 D HA 0.292 4.935 4.640 0.004 0.000 0.239 113 D C -0.391 175.888 176.300 -0.034 0.000 1.049 113 D CA -0.670 53.306 54.000 -0.041 0.000 1.008 113 D CB 1.897 42.666 40.800 -0.051 0.000 1.398 113 D HN 0.447 nan 8.370 nan 0.000 0.513 114 E N 0.165 120.348 120.200 -0.029 0.000 2.585 114 E HA 0.295 4.647 4.350 0.004 0.000 0.252 114 E C 0.938 177.521 176.600 -0.028 0.000 0.981 114 E CA 1.021 57.406 56.400 -0.025 0.000 0.943 114 E CB 0.346 30.035 29.700 -0.019 0.000 0.923 114 E HN 0.748 nan 8.360 nan 0.000 0.486 115 G N 3.864 112.646 108.800 -0.031 0.000 2.241 115 G HA2 -0.239 3.724 3.960 0.004 0.000 0.244 115 G HA3 -0.239 3.724 3.960 0.004 0.000 0.244 115 G C 0.057 174.931 174.900 -0.043 0.000 0.998 115 G CA 0.062 45.143 45.100 -0.032 0.000 0.621 115 G HN 0.528 nan 8.290 nan 0.000 0.519 116 D N 1.806 122.177 120.400 -0.047 0.000 2.443 116 D HA 0.428 5.070 4.640 0.004 0.000 0.239 116 D C 0.711 176.964 176.300 -0.079 0.000 1.136 116 D CA 0.469 54.434 54.000 -0.059 0.000 0.879 116 D CB 0.676 41.442 40.800 -0.056 0.000 1.195 116 D HN 0.574 nan 8.370 nan 0.000 0.443 117 E N 0.210 120.350 120.200 -0.101 0.000 2.231 117 E HA 0.467 4.819 4.350 0.004 0.000 0.277 117 E C -0.773 175.723 176.600 -0.173 0.000 0.999 117 E CA -0.811 55.501 56.400 -0.145 0.000 0.827 117 E CB 1.816 31.419 29.700 -0.161 0.000 1.101 117 E HN 0.054 nan 8.360 nan 0.000 0.393 118 V N 4.230 124.018 119.914 -0.209 0.000 2.483 118 V HA 0.299 4.421 4.120 0.004 0.000 0.297 118 V C -0.246 175.661 176.094 -0.312 0.000 1.027 118 V CA -0.648 61.526 62.300 -0.210 0.000 0.855 118 V CB 1.320 33.082 31.823 -0.101 0.000 0.995 118 V HN 0.596 nan 8.190 nan 0.000 0.424 119 I N 5.992 126.360 120.570 -0.337 0.000 2.416 119 I HA 0.378 4.550 4.170 0.004 0.000 0.288 119 I C -0.348 175.605 176.117 -0.273 0.000 1.051 119 I CA 0.202 61.288 61.300 -0.356 0.000 1.375 119 I CB 0.737 38.471 38.000 -0.443 0.000 1.407 119 I HN 0.432 nan 8.210 nan 0.000 0.516 120 I N 7.213 127.614 120.570 -0.282 0.000 2.509 120 I HA 0.406 4.578 4.170 0.004 0.000 0.293 120 I C -0.352 175.796 176.117 0.052 0.000 1.020 120 I CA -0.621 60.583 61.300 -0.160 0.000 1.088 120 I CB 2.191 39.972 38.000 -0.365 0.000 1.267 120 I HN 0.378 nan 8.210 nan 0.000 0.430 121 I N 5.457 126.133 120.570 0.176 0.000 2.304 121 I HA 0.237 4.410 4.170 0.004 0.000 0.291 121 I C 0.053 176.389 176.117 0.365 0.000 1.018 121 I CA -0.415 61.043 61.300 0.264 0.000 1.260 121 I CB 0.731 38.884 38.000 0.256 0.000 1.390 121 I HN 0.524 nan 8.210 nan 0.000 0.475 122 E N 8.207 128.600 120.200 0.322 0.000 2.283 122 E HA 0.261 4.613 4.350 0.004 0.000 0.278 122 E C -2.279 174.297 176.600 -0.041 0.000 1.027 122 E CA -1.772 54.683 56.400 0.091 0.000 0.843 122 E CB 0.804 30.480 29.700 -0.041 0.000 1.062 122 E HN 0.314 nan 8.360 nan 0.000 0.401 123 P HA 0.071 nan 4.420 nan 0.000 0.280 123 P C -1.095 176.124 177.300 -0.136 0.000 1.244 123 P CA -0.150 62.618 63.100 -0.554 0.000 0.784 123 P CB 0.222 31.661 31.700 -0.435 0.000 0.913 124 F N 1.232 121.140 119.950 -0.072 0.000 2.508 124 F HA 0.562 5.091 4.527 0.004 0.000 0.325 124 F C -0.262 175.600 175.800 0.104 0.000 1.090 124 F CA -2.066 55.991 58.000 0.094 0.000 0.945 124 F CB 0.534 39.684 39.000 0.251 0.000 1.156 124 F HN 0.095 nan 8.300 nan 0.000 0.463 125 F N 4.813 124.692 119.950 -0.117 0.000 2.604 125 F HA 0.009 4.538 4.527 0.004 0.000 0.393 125 F C 1.706 177.433 175.800 -0.123 0.000 1.043 125 F CA -0.315 57.551 58.000 -0.224 0.000 1.227 125 F CB 0.354 39.018 39.000 -0.560 0.000 1.016 125 F HN 0.743 nan 8.300 nan 0.000 0.556 126 D N 3.882 124.115 120.400 -0.278 0.000 2.263 126 D HA -0.230 4.412 4.640 0.004 0.000 0.208 126 D C 2.118 178.418 176.300 -0.001 0.000 0.971 126 D CA 1.405 55.355 54.000 -0.082 0.000 0.867 126 D CB -1.196 39.509 40.800 -0.159 0.000 0.929 126 D HN 0.634 nan 8.370 nan 0.000 0.492 127 C N -0.508 118.636 119.300 -0.261 0.000 2.456 127 C HA 0.018 4.480 4.460 0.004 0.000 0.279 127 C C 2.443 177.508 174.990 0.124 0.000 1.427 127 C CA -0.436 58.578 59.018 -0.007 0.000 1.778 127 C CB -1.698 26.099 27.740 0.096 0.000 1.842 127 C HN 0.088 nan 8.230 nan 0.000 0.531 128 Y N 2.066 122.456 120.300 0.151 0.000 2.207 128 Y HA -0.088 4.465 4.550 0.004 0.000 0.287 128 Y C 2.651 178.406 175.900 -0.240 0.000 1.156 128 Y CA 1.604 59.700 58.100 -0.007 0.000 1.182 128 Y CB -1.168 37.361 38.460 0.115 0.000 0.979 128 Y HN 0.538 nan 8.280 nan 0.000 0.521 129 E N 0.303 120.530 120.200 0.044 0.000 2.015 129 E HA -0.157 4.195 4.350 0.004 0.000 0.191 129 E C -0.602 175.973 176.600 -0.042 0.000 0.991 129 E CA 1.404 57.793 56.400 -0.018 0.000 0.802 129 E CB -0.789 29.014 29.700 0.171 0.000 0.759 129 E HN 0.227 nan 8.360 nan 0.000 0.447 130 P HA -0.151 nan 4.420 nan 0.000 0.218 130 P C 1.509 178.764 177.300 -0.074 0.000 1.149 130 P CA 1.398 64.494 63.100 -0.006 0.000 0.817 130 P CB -0.148 31.574 31.700 0.037 0.000 0.785 131 M N -0.914 118.584 119.600 -0.171 0.000 2.159 131 M HA -0.098 4.384 4.480 0.004 0.000 0.263 131 M C 2.108 178.108 176.300 -0.500 0.000 1.063 131 M CA 1.952 57.064 55.300 -0.313 0.000 1.110 131 M CB -1.303 30.988 32.600 -0.515 0.000 1.374 131 M HN -0.054 nan 8.290 nan 0.000 0.411 132 T N 0.821 115.004 114.554 -0.618 0.000 2.708 132 T HA -0.144 4.209 4.350 0.004 0.000 0.266 132 T C 1.751 176.353 174.700 -0.164 0.000 1.037 132 T CA 1.438 63.318 62.100 -0.367 0.000 1.146 132 T CB -0.187 68.510 68.868 -0.285 0.000 0.865 132 T HN 0.364 nan 8.240 nan 0.000 0.435 133 M N 0.232 119.758 119.600 -0.123 0.000 2.117 133 M HA 0.003 4.486 4.480 0.004 0.000 0.262 133 M C 2.469 178.751 176.300 -0.030 0.000 1.065 133 M CA 1.514 56.781 55.300 -0.055 0.000 1.114 133 M CB -0.423 32.163 32.600 -0.023 0.000 1.361 133 M HN 0.193 nan 8.290 nan 0.000 0.408 134 M N -0.135 119.453 119.600 -0.020 0.000 2.296 134 M HA -0.081 4.401 4.480 0.004 0.000 0.265 134 M C 1.630 177.941 176.300 0.018 0.000 1.064 134 M CA 1.326 56.640 55.300 0.023 0.000 1.109 134 M CB 0.006 32.654 32.600 0.079 0.000 1.396 134 M HN 0.263 nan 8.290 nan 0.000 0.430 135 A N -0.707 122.106 122.820 -0.011 0.000 2.307 135 A HA 0.401 4.723 4.320 0.004 0.000 0.218 135 A C 1.447 179.021 177.584 -0.016 0.000 1.228 135 A CA 0.583 52.613 52.037 -0.011 0.000 0.857 135 A CB -0.731 18.270 19.000 0.000 0.000 0.897 135 A HN 0.717 nan 8.150 nan 0.000 0.495 136 G N -1.679 107.110 108.800 -0.019 0.000 2.179 136 G HA2 -0.080 3.882 3.960 0.004 0.000 0.260 136 G HA3 -0.080 3.882 3.960 0.004 0.000 0.260 136 G C 0.737 175.617 174.900 -0.032 0.000 0.977 136 G CA 0.316 45.403 45.100 -0.021 0.000 0.641 136 G HN 1.376 nan 8.290 nan 0.000 0.533 137 G N -0.793 107.981 108.800 -0.043 0.000 2.537 137 G HA2 0.550 4.513 3.960 0.004 0.000 0.273 137 G HA3 0.550 4.513 3.960 0.004 0.000 0.273 137 G C -0.077 174.778 174.900 -0.075 0.000 1.189 137 G CA -0.641 44.425 45.100 -0.058 0.000 0.881 137 G HN 0.283 nan 8.290 nan 0.000 0.535 138 R N 1.129 121.572 120.500 -0.095 0.000 2.275 138 R HA 0.279 4.621 4.340 0.004 0.000 0.326 138 R C -2.605 173.578 176.300 -0.195 0.000 0.973 138 R CA -1.625 54.409 56.100 -0.110 0.000 0.854 138 R CB 1.792 32.042 30.300 -0.084 0.000 1.156 138 R HN 0.297 nan 8.270 nan 0.000 0.487 139 P HA 0.065 nan 4.420 nan 0.000 0.267 139 P C -0.569 176.323 177.300 -0.679 0.000 1.205 139 P CA -0.114 62.662 63.100 -0.539 0.000 0.765 139 P CB 0.802 32.146 31.700 -0.592 0.000 0.828 140 V N 5.089 124.559 119.914 -0.739 0.000 2.444 140 V HA 0.397 4.519 4.120 0.004 0.000 0.294 140 V C -0.444 175.280 176.094 -0.617 0.000 1.022 140 V CA -0.380 61.606 62.300 -0.523 0.000 0.850 140 V CB 0.837 32.478 31.823 -0.303 0.000 0.992 140 V HN 0.327 nan 8.190 nan 0.000 0.426 141 F N 3.884 123.808 119.950 -0.043 0.000 2.420 141 F HA 0.635 5.164 4.527 0.004 0.000 0.342 141 F C 0.152 176.003 175.800 0.084 0.000 1.113 141 F CA -0.758 57.249 58.000 0.012 0.000 1.059 141 F CB 1.819 40.850 39.000 0.051 0.000 1.128 141 F HN 0.284 nan 8.300 nan 0.000 0.475 142 V N 2.991 123.053 119.914 0.247 0.000 2.513 142 V HA 0.619 4.741 4.120 0.004 0.000 0.299 142 V C -0.647 175.614 176.094 0.278 0.000 1.035 142 V CA -0.283 62.156 62.300 0.232 0.000 0.889 142 V CB 1.817 33.737 31.823 0.161 0.000 0.988 142 V HN 0.770 nan 8.190 nan 0.000 0.440 143 S N 7.417 123.278 115.700 0.268 0.000 2.433 143 S HA 0.586 5.058 4.470 0.004 0.000 0.310 143 S C -0.373 174.361 174.600 0.224 0.000 1.097 143 S CA -0.520 57.831 58.200 0.252 0.000 1.103 143 S CB 1.188 64.542 63.200 0.256 0.000 0.992 143 S HN 0.691 nan 8.310 nan 0.000 0.469 144 L N 3.145 124.517 121.223 0.247 0.000 2.485 144 L HA 0.138 4.480 4.340 0.004 0.000 0.275 144 L C 0.558 177.543 176.870 0.192 0.000 1.207 144 L CA 0.268 55.267 54.840 0.266 0.000 0.855 144 L CB 0.159 42.459 42.059 0.402 0.000 1.114 144 L HN 0.473 nan 8.230 nan 0.000 0.485 145 K N 4.092 124.542 120.400 0.083 0.000 2.281 145 K HA 0.329 4.651 4.320 0.004 0.000 0.272 145 K C -2.355 174.038 176.600 -0.345 0.000 1.048 145 K CA -1.845 54.407 56.287 -0.058 0.000 0.898 145 K CB 0.990 33.481 32.500 -0.015 0.000 1.128 145 K HN 0.229 nan 8.250 nan 0.000 0.460 146 P HA -0.089 nan 4.420 nan 0.000 0.262 146 P C 0.153 177.147 177.300 -0.510 0.000 1.182 146 P CA 0.141 62.469 63.100 -1.285 0.000 0.761 146 P CB 0.600 31.699 31.700 -1.002 0.000 0.795 147 G N 4.333 112.927 108.800 -0.342 0.000 2.636 147 G HA2 0.317 4.279 3.960 0.004 0.000 0.246 147 G HA3 0.317 4.279 3.960 0.004 0.000 0.246 147 G C -2.272 172.597 174.900 -0.050 0.000 1.216 147 G CA -0.941 44.104 45.100 -0.091 0.000 0.854 147 G HN 0.347 nan 8.290 nan 0.000 0.572 148 P HA 0.052 nan 4.420 nan 0.000 0.262 148 P C 0.087 177.396 177.300 0.015 0.000 1.199 148 P CA -0.334 62.760 63.100 -0.010 0.000 0.763 148 P CB 0.654 32.351 31.700 -0.005 0.000 0.790 149 I N 4.593 125.173 120.570 0.017 0.000 2.406 149 I HA 0.060 4.232 4.170 0.004 0.000 0.293 149 I C -0.461 175.668 176.117 0.020 0.000 1.101 149 I CA 0.293 61.614 61.300 0.035 0.000 1.334 149 I CB -0.219 37.807 38.000 0.043 0.000 1.421 149 I HN 0.334 nan 8.210 nan 0.000 0.513 150 Q N 6.051 125.866 119.800 0.025 0.000 2.365 150 Q HA 0.247 4.589 4.340 0.004 0.000 0.269 150 Q C 0.261 176.270 176.000 0.015 0.000 1.061 150 Q CA -0.576 55.236 55.803 0.016 0.000 0.816 150 Q CB 1.711 30.459 28.738 0.017 0.000 1.325 150 Q HN 0.695 nan 8.270 nan 0.000 0.446 151 N N 0.698 119.402 118.700 0.007 0.000 2.696 151 N HA -0.328 4.415 4.740 0.004 0.000 0.249 151 N C 0.572 176.086 175.510 0.006 0.000 1.090 151 N CA 0.546 53.599 53.050 0.005 0.000 0.716 151 N CB -0.424 38.067 38.487 0.007 0.000 1.020 151 N HN 1.055 nan 8.380 nan 0.000 0.548 152 G N -0.453 108.351 108.800 0.007 0.000 2.184 152 G HA2 -0.345 3.617 3.960 0.004 0.000 0.264 152 G HA3 -0.345 3.617 3.960 0.004 0.000 0.264 152 G C -0.105 174.804 174.900 0.014 0.000 0.975 152 G CA 0.881 45.985 45.100 0.006 0.000 0.642 152 G HN 0.813 nan 8.290 nan 0.000 0.536 153 E N 0.627 120.840 120.200 0.021 0.000 2.349 153 E HA 0.622 4.974 4.350 0.004 0.000 0.262 153 E C 0.498 177.125 176.600 0.044 0.000 1.088 153 E CA -0.983 55.434 56.400 0.029 0.000 0.899 153 E CB 1.168 30.886 29.700 0.029 0.000 1.044 153 E HN 0.328 nan 8.360 nan 0.000 0.420 154 L N 1.461 122.713 121.223 0.048 0.000 2.439 154 L HA 0.217 4.559 4.340 0.004 0.000 0.269 154 L C 1.082 178.008 176.870 0.094 0.000 1.179 154 L CA -0.192 54.690 54.840 0.070 0.000 0.828 154 L CB 0.436 42.529 42.059 0.056 0.000 1.106 154 L HN 0.762 nan 8.230 nan 0.000 0.467 155 G N 0.914 109.798 108.800 0.140 0.000 2.636 155 G HA2 0.268 4.230 3.960 0.004 0.000 0.246 155 G HA3 0.268 4.230 3.960 0.004 0.000 0.246 155 G C -0.456 174.538 174.900 0.156 0.000 1.216 155 G CA -0.199 45.013 45.100 0.186 0.000 0.854 155 G HN 0.507 nan 8.290 nan 0.000 0.572 156 S N -1.018 114.785 115.700 0.172 0.000 2.521 156 S HA 0.434 4.906 4.470 0.004 0.000 0.295 156 S C 1.286 175.955 174.600 0.115 0.000 1.098 156 S CA -0.294 57.968 58.200 0.104 0.000 0.999 156 S CB 1.754 65.004 63.200 0.083 0.000 1.034 156 S HN 0.484 nan 8.310 nan 0.000 0.483 157 S N 2.795 118.474 115.700 -0.035 0.000 2.400 157 S HA -0.138 4.334 4.470 0.004 0.000 0.232 157 S C 2.159 176.731 174.600 -0.046 0.000 1.025 157 S CA 1.711 59.804 58.200 -0.178 0.000 0.993 157 S CB -0.479 62.578 63.200 -0.238 0.000 0.808 157 S HN 0.966 nan 8.310 nan 0.000 0.478 158 S N 2.673 118.363 115.700 -0.017 0.000 2.419 158 S HA -0.093 4.379 4.470 0.004 0.000 0.235 158 S C 1.310 175.953 174.600 0.072 0.000 1.019 158 S CA 1.036 59.239 58.200 0.005 0.000 0.982 158 S CB -0.419 62.808 63.200 0.045 0.000 0.789 158 S HN 0.445 nan 8.310 nan 0.000 0.490 159 N N 0.009 118.804 118.700 0.158 0.000 2.398 159 N HA 0.116 4.858 4.740 0.004 0.000 0.188 159 N C -1.077 174.573 175.510 0.234 0.000 1.122 159 N CA 0.111 53.264 53.050 0.172 0.000 0.866 159 N CB -0.169 38.407 38.487 0.148 0.000 0.970 159 N HN 0.507 nan 8.380 nan 0.000 0.462 160 W N 2.655 123.937 121.300 -0.029 0.000 2.485 160 W HA 0.255 4.917 4.660 0.004 0.000 0.315 160 W C 0.463 176.953 176.519 -0.049 0.000 1.304 160 W CA -0.367 56.968 57.345 -0.017 0.000 1.345 160 W CB 0.361 29.804 29.460 -0.029 0.000 1.368 160 W HN -0.187 nan 8.180 nan 0.000 0.497 161 Q N 3.023 122.893 119.800 0.117 0.000 2.230 161 Q HA 0.342 4.684 4.340 0.004 0.000 0.253 161 Q C -0.746 175.307 176.000 0.088 0.000 0.919 161 Q CA -1.290 54.554 55.803 0.067 0.000 0.908 161 Q CB 2.306 31.071 28.738 0.044 0.000 1.245 161 Q HN 0.406 nan 8.270 nan 0.000 0.437 162 L N 2.698 123.968 121.223 0.079 0.000 2.270 162 L HA 0.232 4.574 4.340 0.004 0.000 0.286 162 L C -0.581 176.358 176.870 0.115 0.000 1.059 162 L CA -0.237 54.682 54.840 0.131 0.000 0.839 162 L CB 0.458 42.627 42.059 0.183 0.000 1.221 162 L HN 0.482 nan 8.230 nan 0.000 0.431 163 D N 6.149 126.615 120.400 0.111 0.000 2.371 163 D HA 0.167 4.809 4.640 0.004 0.000 0.256 163 D C -1.625 174.735 176.300 0.100 0.000 1.193 163 D CA -1.102 52.953 54.000 0.091 0.000 0.881 163 D CB 1.407 42.256 40.800 0.082 0.000 1.143 163 D HN 0.395 nan 8.370 nan 0.000 0.473 164 P HA -0.171 nan 4.420 nan 0.000 0.216 164 P C 1.275 178.625 177.300 0.084 0.000 1.150 164 P CA 1.408 64.557 63.100 0.082 0.000 0.837 164 P CB 0.112 31.848 31.700 0.059 0.000 0.786 165 M N -1.156 118.488 119.600 0.074 0.000 2.200 165 M HA -0.114 4.368 4.480 0.004 0.000 0.265 165 M C 2.034 178.388 176.300 0.090 0.000 1.066 165 M CA 1.621 56.964 55.300 0.072 0.000 1.127 165 M CB -0.750 31.884 32.600 0.057 0.000 1.379 165 M HN -0.028 nan 8.290 nan 0.000 0.420 166 E N 0.585 120.843 120.200 0.097 0.000 2.051 166 E HA -0.219 4.133 4.350 0.004 0.000 0.192 166 E C 1.989 178.670 176.600 0.136 0.000 0.991 166 E CA 1.176 57.643 56.400 0.111 0.000 0.799 166 E CB -0.264 29.505 29.700 0.115 0.000 0.748 166 E HN 0.288 nan 8.360 nan 0.000 0.449 167 L N 1.167 122.484 121.223 0.156 0.000 2.017 167 L HA -0.128 4.215 4.340 0.004 0.000 0.208 167 L C 2.263 179.308 176.870 0.292 0.000 1.073 167 L CA 2.076 57.045 54.840 0.215 0.000 0.745 167 L CB -0.663 41.534 42.059 0.231 0.000 0.894 167 L HN 0.036 nan 8.230 nan 0.000 0.432 168 A N -0.546 122.396 122.820 0.204 0.000 1.940 168 A HA -0.106 4.216 4.320 0.004 0.000 0.219 168 A C 2.297 180.000 177.584 0.197 0.000 1.176 168 A CA 1.541 53.686 52.037 0.180 0.000 0.631 168 A CB -1.594 17.463 19.000 0.095 0.000 0.814 168 A HN 0.549 nan 8.150 nan 0.000 0.446 169 G N -0.802 108.087 108.800 0.148 0.000 2.509 169 G HA2 -0.127 3.835 3.960 0.004 0.000 0.218 169 G HA3 -0.127 3.835 3.960 0.004 0.000 0.218 169 G C 1.474 176.429 174.900 0.092 0.000 1.124 169 G CA 0.825 45.991 45.100 0.111 0.000 0.776 169 G HN 0.413 nan 8.290 nan 0.000 0.547 170 K N -0.059 120.402 120.400 0.102 0.000 2.305 170 K HA 0.129 4.451 4.320 0.004 0.000 0.199 170 K C 0.185 176.712 176.600 -0.122 0.000 1.047 170 K CA -0.221 56.059 56.287 -0.012 0.000 0.976 170 K CB -0.130 32.336 32.500 -0.057 0.000 0.765 170 K HN 0.351 nan 8.250 nan 0.000 0.474 171 F N 1.966 121.804 119.950 -0.187 0.000 2.495 171 F HA 0.021 4.550 4.527 0.003 0.000 0.365 171 F C 1.406 176.994 175.800 -0.352 0.000 1.090 171 F CA 0.138 57.899 58.000 -0.398 0.000 1.235 171 F CB 0.703 39.206 39.000 -0.828 0.000 1.119 171 F HN -0.056 nan 8.300 nan 0.000 0.562 172 T N -2.123 112.356 114.554 -0.125 0.000 2.804 172 T HA 0.265 4.617 4.350 0.004 0.000 0.290 172 T C 0.827 175.552 174.700 0.042 0.000 1.099 172 T CA -0.164 61.925 62.100 -0.018 0.000 1.011 172 T CB 1.153 70.009 68.868 -0.020 0.000 1.291 172 T HN 0.432 nan 8.240 nan 0.000 0.523 173 S N -0.308 115.436 115.700 0.073 0.000 2.507 173 S HA -0.046 4.426 4.470 0.004 0.000 0.235 173 S C 1.622 176.241 174.600 0.032 0.000 0.988 173 S CA 0.362 58.608 58.200 0.076 0.000 0.944 173 S CB -0.564 62.672 63.200 0.060 0.000 0.762 173 S HN 0.715 nan 8.310 nan 0.000 0.526 174 R N 0.941 121.440 120.500 -0.002 0.000 2.300 174 R HA 0.172 4.514 4.340 0.004 0.000 0.199 174 R C -0.047 176.220 176.300 -0.055 0.000 0.920 174 R CA 0.302 56.385 56.100 -0.028 0.000 1.046 174 R CB -0.053 30.225 30.300 -0.038 0.000 0.984 174 R HN 0.290 nan 8.270 nan 0.000 0.493 175 T N 1.324 115.837 114.554 -0.068 0.000 2.817 175 T HA 0.006 4.359 4.350 0.004 0.000 0.295 175 T C 0.896 175.553 174.700 -0.070 0.000 0.958 175 T CA 0.270 62.296 62.100 -0.123 0.000 1.157 175 T CB 1.284 70.026 68.868 -0.210 0.000 0.898 175 T HN 0.007 nan 8.240 nan 0.000 0.536 176 K N 2.308 122.652 120.400 -0.093 0.000 2.244 176 K HA 0.491 4.813 4.320 0.004 0.000 0.200 176 K C 0.365 176.912 176.600 -0.088 0.000 1.052 176 K CA 0.365 56.608 56.287 -0.073 0.000 0.980 176 K CB 0.505 32.960 32.500 -0.075 0.000 0.838 176 K HN 0.708 nan 8.250 nan 0.000 0.481 177 A N 0.117 122.860 122.820 -0.128 0.000 2.606 177 A HA 0.623 4.945 4.320 0.004 0.000 0.293 177 A C -1.962 175.505 177.584 -0.195 0.000 1.082 177 A CA -0.749 51.197 52.037 -0.150 0.000 0.685 177 A CB 1.028 19.921 19.000 -0.179 0.000 1.284 177 A HN 0.186 nan 8.150 nan 0.000 0.408 178 L N 1.519 122.632 121.223 -0.184 0.000 2.362 178 L HA 0.773 5.115 4.340 0.004 0.000 0.275 178 L C -1.403 175.339 176.870 -0.214 0.000 0.998 178 L CA -0.781 53.938 54.840 -0.202 0.000 0.820 178 L CB 1.984 43.964 42.059 -0.132 0.000 1.270 178 L HN 0.489 nan 8.230 nan 0.000 0.415 179 V N 5.684 125.455 119.914 -0.238 0.000 2.364 179 V HA 0.344 4.466 4.120 0.004 0.000 0.272 179 V C -0.202 175.728 176.094 -0.273 0.000 1.036 179 V CA -0.442 61.657 62.300 -0.336 0.000 0.880 179 V CB 1.237 32.757 31.823 -0.506 0.000 0.991 179 V HN 0.577 nan 8.190 nan 0.000 0.460 180 L N 5.348 126.405 121.223 -0.276 0.000 2.322 180 L HA 0.557 4.899 4.340 0.004 0.000 0.281 180 L C -0.168 176.558 176.870 -0.240 0.000 1.014 180 L CA 0.161 54.832 54.840 -0.281 0.000 0.815 180 L CB 1.437 43.306 42.059 -0.317 0.000 1.247 180 L HN 0.719 nan 8.230 nan 0.000 0.421 181 N N 3.102 121.697 118.700 -0.174 0.000 2.524 181 N HA 0.371 5.114 4.740 0.004 0.000 0.261 181 N C -1.544 173.927 175.510 -0.065 0.000 0.998 181 N CA -0.148 52.885 53.050 -0.028 0.000 0.915 181 N CB 1.069 39.689 38.487 0.222 0.000 1.187 181 N HN 0.694 nan 8.380 nan 0.000 0.507 182 T N 3.216 117.743 114.554 -0.045 0.000 2.971 182 T HA 0.425 4.777 4.350 0.004 0.000 0.304 182 T C -2.899 171.909 174.700 0.180 0.000 1.038 182 T CA -1.382 60.771 62.100 0.089 0.000 1.007 182 T CB 1.568 70.451 68.868 0.026 0.000 1.055 182 T HN 0.275 nan 8.240 nan 0.000 0.451 183 P HA 0.117 nan 4.420 nan 0.000 0.266 183 P C -0.552 176.846 177.300 0.164 0.000 1.195 183 P CA -0.290 62.913 63.100 0.172 0.000 0.768 183 P CB 0.385 32.140 31.700 0.092 0.000 0.838 184 N N 3.186 121.978 118.700 0.153 0.000 2.488 184 N HA 0.018 4.761 4.740 0.004 0.000 0.274 184 N C -0.597 174.909 175.510 -0.006 0.000 1.111 184 N CA -0.040 53.080 53.050 0.116 0.000 0.974 184 N CB 0.066 38.656 38.487 0.171 0.000 1.089 184 N HN 0.251 nan 8.380 nan 0.000 0.465 185 N N 4.273 122.959 118.700 -0.024 0.000 2.419 185 N HA 0.347 5.089 4.740 0.004 0.000 0.277 185 N C -2.074 173.191 175.510 -0.407 0.000 1.006 185 N CA -2.073 50.860 53.050 -0.194 0.000 0.923 185 N CB 1.542 40.002 38.487 -0.045 0.000 1.140 185 N HN 0.407 nan 8.380 nan 0.000 0.488 186 P HA 0.050 nan 4.420 nan 0.000 0.264 186 P C 1.048 178.127 177.300 -0.369 0.000 1.259 186 P CA -0.004 62.660 63.100 -0.728 0.000 0.841 186 P CB 0.646 31.714 31.700 -1.054 0.000 1.232 187 L N 0.433 121.453 121.223 -0.340 0.000 2.270 187 L HA 0.354 4.696 4.340 0.004 0.000 0.210 187 L C 1.527 178.257 176.870 -0.234 0.000 1.104 187 L CA 1.986 56.592 54.840 -0.391 0.000 0.804 187 L CB -1.242 40.488 42.059 -0.548 0.000 0.937 187 L HN 0.239 nan 8.230 nan 0.000 0.450 188 G N 0.125 108.857 108.800 -0.114 0.000 2.143 188 G HA2 -0.368 3.594 3.960 0.004 0.000 0.248 188 G HA3 -0.368 3.594 3.960 0.004 0.000 0.248 188 G C 0.518 175.387 174.900 -0.052 0.000 0.991 188 G CA 0.516 45.598 45.100 -0.029 0.000 0.689 188 G HN 0.514 nan 8.290 nan 0.000 0.522 189 K N 0.364 120.712 120.400 -0.086 0.000 2.350 189 K HA 0.453 4.776 4.320 0.004 0.000 0.279 189 K C 0.057 176.688 176.600 0.052 0.000 1.027 189 K CA -0.361 55.876 56.287 -0.084 0.000 0.969 189 K CB 0.654 33.052 32.500 -0.170 0.000 0.954 189 K HN 0.028 nan 8.250 nan 0.000 0.474 190 V N 6.326 126.252 119.914 0.019 0.000 2.328 190 V HA 0.219 4.341 4.120 0.004 0.000 0.278 190 V C -0.470 175.720 176.094 0.161 0.000 1.021 190 V CA -0.746 61.634 62.300 0.133 0.000 0.838 190 V CB 0.278 32.147 31.823 0.076 0.000 0.999 190 V HN 0.604 nan 8.190 nan 0.000 0.447 191 F N 3.568 123.535 119.950 0.028 0.000 2.529 191 F HA 0.230 4.760 4.527 0.005 0.000 0.365 191 F C 1.356 177.171 175.800 0.025 0.000 1.102 191 F CA 0.238 58.256 58.000 0.030 0.000 1.271 191 F CB 0.802 39.812 39.000 0.018 0.000 1.120 191 F HN 0.602 nan 8.300 nan 0.000 0.579 192 S N 3.736 119.523 115.700 0.146 0.000 2.624 192 S HA 0.276 4.749 4.470 0.004 0.000 0.263 192 S C 1.430 176.087 174.600 0.095 0.000 1.287 192 S CA -0.737 57.525 58.200 0.102 0.000 0.990 192 S CB 1.023 64.264 63.200 0.069 0.000 0.950 192 S HN 0.771 nan 8.310 nan 0.000 0.561 193 R N 0.632 121.166 120.500 0.056 0.000 2.091 193 R HA -0.157 4.185 4.340 0.004 0.000 0.238 193 R C 1.809 178.139 176.300 0.050 0.000 1.136 193 R CA 2.112 58.236 56.100 0.040 0.000 0.959 193 R CB -0.533 29.780 30.300 0.022 0.000 0.856 193 R HN 0.849 nan 8.270 nan 0.000 0.437 194 E N 0.400 120.631 120.200 0.051 0.000 2.077 194 E HA -0.189 4.163 4.350 0.004 0.000 0.193 194 E C 1.837 178.481 176.600 0.073 0.000 0.989 194 E CA 1.712 58.143 56.400 0.051 0.000 0.800 194 E CB -0.099 29.627 29.700 0.042 0.000 0.746 194 E HN 0.498 nan 8.360 nan 0.000 0.452 195 E N 0.397 120.658 120.200 0.103 0.000 2.077 195 E HA -0.126 4.227 4.350 0.004 0.000 0.193 195 E C 2.033 178.745 176.600 0.186 0.000 0.989 195 E CA 0.799 57.297 56.400 0.164 0.000 0.800 195 E CB -0.120 29.705 29.700 0.208 0.000 0.746 195 E HN 0.224 nan 8.360 nan 0.000 0.452 196 L N 0.764 122.079 121.223 0.152 0.000 2.141 196 L HA -0.167 4.175 4.340 0.004 0.000 0.209 196 L C 2.215 179.117 176.870 0.054 0.000 1.094 196 L CA 1.084 55.977 54.840 0.088 0.000 0.763 196 L CB -0.328 41.758 42.059 0.044 0.000 0.908 196 L HN 0.127 nan 8.230 nan 0.000 0.437 197 E N 0.109 120.338 120.200 0.050 0.000 2.106 197 E HA -0.242 4.110 4.350 0.004 0.000 0.192 197 E C 2.075 178.692 176.600 0.029 0.000 0.984 197 E CA 0.955 57.373 56.400 0.031 0.000 0.806 197 E CB -0.093 29.622 29.700 0.025 0.000 0.750 197 E HN 0.267 nan 8.360 nan 0.000 0.458 198 L N 0.627 121.879 121.223 0.049 0.000 2.017 198 L HA -0.162 4.180 4.340 0.004 0.000 0.208 198 L C 2.176 179.069 176.870 0.039 0.000 1.073 198 L CA 1.490 56.358 54.840 0.046 0.000 0.745 198 L CB -0.436 41.669 42.059 0.076 0.000 0.894 198 L HN -0.067 nan 8.230 nan 0.000 0.432 199 V N 0.402 120.361 119.914 0.075 0.000 2.295 199 V HA -0.297 3.825 4.120 0.004 0.000 0.246 199 V C 2.863 178.979 176.094 0.036 0.000 1.049 199 V CA 1.710 64.060 62.300 0.084 0.000 1.024 199 V CB -1.516 30.356 31.823 0.082 0.000 0.648 199 V HN 0.639 nan 8.190 nan 0.000 0.447 200 A N 0.847 123.678 122.820 0.018 0.000 1.908 200 A HA -0.241 4.081 4.320 0.004 0.000 0.218 200 A C 2.579 180.149 177.584 -0.023 0.000 1.181 200 A CA 2.528 54.566 52.037 0.002 0.000 0.627 200 A CB -0.875 18.128 19.000 0.004 0.000 0.818 200 A HN 0.703 nan 8.150 nan 0.000 0.445 201 S N 0.030 115.709 115.700 -0.036 0.000 2.368 201 S HA -0.126 4.346 4.470 0.004 0.000 0.225 201 S C 1.888 176.414 174.600 -0.123 0.000 1.030 201 S CA 1.599 59.761 58.200 -0.063 0.000 0.999 201 S CB -0.745 62.424 63.200 -0.051 0.000 0.844 201 S HN 0.427 nan 8.310 nan 0.000 0.459 202 L N 0.569 121.673 121.223 -0.197 0.000 2.109 202 L HA -0.025 4.318 4.340 0.004 0.000 0.207 202 L C 2.887 179.532 176.870 -0.376 0.000 1.086 202 L CA 0.822 55.394 54.840 -0.446 0.000 0.760 202 L CB -0.710 40.811 42.059 -0.897 0.000 0.910 202 L HN 0.439 nan 8.230 nan 0.000 0.437 203 C N -0.445 118.780 119.300 -0.126 0.000 2.425 203 C HA -0.152 4.310 4.460 0.004 0.000 0.277 203 C C 2.849 177.858 174.990 0.031 0.000 1.280 203 C CA 0.684 59.743 59.018 0.069 0.000 1.744 203 C CB -0.720 27.074 27.740 0.089 0.000 1.989 203 C HN 0.541 nan 8.230 nan 0.000 0.491 204 Q N 0.028 119.815 119.800 -0.022 0.000 2.083 204 Q HA -0.234 4.109 4.340 0.004 0.000 0.198 204 Q C 2.303 178.268 176.000 -0.058 0.000 0.969 204 Q CA 1.352 57.138 55.803 -0.027 0.000 0.838 204 Q CB -0.335 28.385 28.738 -0.031 0.000 0.900 204 Q HN 0.723 nan 8.270 nan 0.000 0.436 205 Q N 0.219 119.949 119.800 -0.117 0.000 2.061 205 Q HA -0.211 4.131 4.340 0.004 0.000 0.204 205 Q C 1.289 177.125 176.000 -0.273 0.000 0.984 205 Q CA 1.342 57.011 55.803 -0.222 0.000 0.846 205 Q CB 0.097 28.643 28.738 -0.320 0.000 0.902 205 Q HN 0.521 nan 8.270 nan 0.000 0.421 206 H N -0.468 118.560 119.070 -0.069 0.000 2.551 206 H HA 0.057 4.615 4.556 0.003 0.000 0.271 206 H C -0.275 175.080 175.328 0.045 0.000 0.984 206 H CA 0.612 56.670 56.048 0.017 0.000 1.164 206 H CB 0.424 30.259 29.762 0.123 0.000 1.437 206 H HN 0.369 nan 8.280 nan 0.000 0.550 207 D N 1.132 121.592 120.400 0.100 0.000 2.812 207 D HA -0.167 4.475 4.640 0.004 0.000 0.237 207 D C -0.969 175.387 176.300 0.094 0.000 1.162 207 D CA 0.239 54.282 54.000 0.071 0.000 0.740 207 D CB -1.246 39.579 40.800 0.041 0.000 1.000 207 D HN 0.017 nan 8.370 nan 0.000 0.416 208 V N 1.358 121.343 119.914 0.118 0.000 2.769 208 V HA 0.534 4.656 4.120 0.004 0.000 0.312 208 V C 0.600 176.717 176.094 0.038 0.000 1.061 208 V CA -0.980 61.382 62.300 0.105 0.000 0.931 208 V CB 2.292 34.259 31.823 0.241 0.000 1.010 208 V HN 0.107 nan 8.190 nan 0.000 0.433 209 V N 2.835 122.733 119.914 -0.027 0.000 2.498 209 V HA 0.197 4.319 4.120 0.004 0.000 0.279 209 V C 0.248 176.278 176.094 -0.107 0.000 1.048 209 V CA -0.333 61.916 62.300 -0.084 0.000 0.967 209 V CB 1.355 33.097 31.823 -0.135 0.000 0.988 209 V HN 1.017 nan 8.190 nan 0.000 0.473 210 C N 7.501 126.731 119.300 -0.116 0.000 2.265 210 C HA 0.533 4.995 4.460 0.004 0.000 0.332 210 C C 0.194 175.058 174.990 -0.209 0.000 1.248 210 C CA -0.743 58.192 59.018 -0.139 0.000 1.727 210 C CB -1.370 26.310 27.740 -0.100 0.000 2.348 210 C HN 0.767 nan 8.230 nan 0.000 0.519 211 I N 5.969 126.379 120.570 -0.266 0.000 2.301 211 I HA 0.211 4.383 4.170 0.004 0.000 0.292 211 I C 0.689 176.626 176.117 -0.299 0.000 1.046 211 I CA 0.491 61.593 61.300 -0.329 0.000 1.282 211 I CB 1.151 38.867 38.000 -0.474 0.000 1.409 211 I HN 0.602 nan 8.210 nan 0.000 0.484 212 T N 4.615 119.019 114.554 -0.249 0.000 2.772 212 T HA 0.154 4.506 4.350 0.004 0.000 0.288 212 T C -0.576 174.006 174.700 -0.197 0.000 0.994 212 T CA -0.639 61.333 62.100 -0.212 0.000 0.951 212 T CB 0.494 69.262 68.868 -0.167 0.000 0.933 212 T HN 0.478 nan 8.240 nan 0.000 0.447 213 D N 4.181 124.470 120.400 -0.184 0.000 2.428 213 D HA 0.200 4.842 4.640 0.004 0.000 0.221 213 D C 0.319 176.528 176.300 -0.152 0.000 1.123 213 D CA -0.288 53.610 54.000 -0.171 0.000 0.869 213 D CB 0.896 41.647 40.800 -0.082 0.000 1.032 213 D HN 0.644 nan 8.370 nan 0.000 0.506 214 E N 2.738 122.823 120.200 -0.191 0.000 2.609 214 E HA 0.045 4.397 4.350 0.004 0.000 0.208 214 E C 1.751 178.162 176.600 -0.316 0.000 1.013 214 E CA -0.093 56.206 56.400 -0.167 0.000 1.093 214 E CB 0.803 30.460 29.700 -0.071 0.000 1.129 214 E HN 0.445 nan 8.360 nan 0.000 0.450 215 V N -1.733 117.931 119.914 -0.416 0.000 2.490 215 V HA -0.244 3.878 4.120 0.004 0.000 0.250 215 V C 1.294 177.007 176.094 -0.636 0.000 1.061 215 V CA 1.351 63.298 62.300 -0.590 0.000 1.064 215 V CB -0.759 30.594 31.823 -0.783 0.000 0.670 215 V HN 0.299 nan 8.190 nan 0.000 0.461 216 Y N 0.976 121.109 120.300 -0.278 0.000 2.495 216 Y HA 0.278 4.831 4.550 0.005 0.000 0.293 216 Y C 2.345 178.051 175.900 -0.325 0.000 1.186 216 Y CA 0.154 58.096 58.100 -0.263 0.000 1.266 216 Y CB -0.689 37.631 38.460 -0.233 0.000 1.101 216 Y HN 0.371 nan 8.280 nan 0.000 0.517 217 Q N -0.088 119.427 119.800 -0.474 0.000 2.156 217 Q HA -0.266 4.077 4.340 0.004 0.000 0.211 217 Q C 0.935 176.448 176.000 -0.812 0.000 0.995 217 Q CA 2.856 58.043 55.803 -1.026 0.000 0.877 217 Q CB -0.264 27.701 28.738 -1.289 0.000 0.920 217 Q HN 0.676 nan 8.270 nan 0.000 0.416 218 W N -0.631 120.547 121.300 -0.203 0.000 2.863 218 W HA 0.146 4.807 4.660 0.001 0.000 0.258 218 W C 0.359 176.847 176.519 -0.051 0.000 1.298 218 W CA -0.552 56.705 57.345 -0.146 0.000 1.451 218 W CB 0.405 29.688 29.460 -0.294 0.000 1.107 218 W HN 0.076 nan 8.180 nan 0.000 0.641 219 M N 2.269 121.922 119.600 0.088 0.000 3.176 219 M HA 0.220 4.702 4.480 0.004 0.000 0.284 219 M C -0.261 175.784 176.300 -0.424 0.000 1.392 219 M CA -0.464 54.814 55.300 -0.038 0.000 1.520 219 M CB -1.369 31.319 32.600 0.146 0.000 1.100 219 M HN -0.199 nan 8.290 nan 0.000 0.555 220 V N 0.065 119.702 119.914 -0.460 0.000 2.823 220 V HA 0.775 4.897 4.120 0.004 0.000 0.312 220 V C -1.283 174.513 176.094 -0.497 0.000 1.072 220 V CA -0.846 61.160 62.300 -0.491 0.000 0.937 220 V CB 2.080 33.844 31.823 -0.098 0.000 1.013 220 V HN 0.497 nan 8.190 nan 0.000 0.430 221 Y N 0.374 120.736 120.300 0.104 0.000 2.633 221 Y HA 0.666 5.219 4.550 0.005 0.000 0.339 221 Y C 0.513 176.498 175.900 0.142 0.000 1.045 221 Y CA -1.056 57.092 58.100 0.080 0.000 1.098 221 Y CB 0.992 39.461 38.460 0.016 0.000 1.296 221 Y HN 0.780 nan 8.280 nan 0.000 0.494 222 D N 0.357 120.931 120.400 0.291 0.000 2.870 222 D HA -0.161 4.481 4.640 0.004 0.000 0.228 222 D C 1.233 177.665 176.300 0.220 0.000 1.147 222 D CA 1.864 56.008 54.000 0.240 0.000 0.757 222 D CB -1.299 39.668 40.800 0.277 0.000 1.091 222 D HN 1.142 nan 8.370 nan 0.000 0.429 223 G N -0.697 108.200 108.800 0.161 0.000 2.184 223 G HA2 -0.360 3.603 3.960 0.004 0.000 0.264 223 G HA3 -0.360 3.603 3.960 0.004 0.000 0.264 223 G C 0.222 175.141 174.900 0.033 0.000 0.975 223 G CA 0.498 45.643 45.100 0.075 0.000 0.642 223 G HN 0.674 nan 8.290 nan 0.000 0.536 224 H N 0.933 120.036 119.070 0.054 0.000 2.764 224 H HA 0.267 4.825 4.556 0.003 0.000 0.341 224 H C 0.266 175.619 175.328 0.042 0.000 1.072 224 H CA 0.319 56.393 56.048 0.044 0.000 1.444 224 H CB 0.694 30.482 29.762 0.043 0.000 1.458 224 H HN 0.263 nan 8.280 nan 0.000 0.572 225 Q N 2.224 122.092 119.800 0.114 0.000 2.271 225 Q HA 0.093 4.435 4.340 0.004 0.000 0.258 225 Q C -0.261 175.799 176.000 0.100 0.000 0.936 225 Q CA -0.707 55.151 55.803 0.093 0.000 0.909 225 Q CB 1.682 30.450 28.738 0.050 0.000 1.253 225 Q HN 0.611 nan 8.270 nan 0.000 0.440 226 H N 2.237 121.304 119.070 -0.004 0.000 2.848 226 H HA 0.314 4.872 4.556 0.003 0.000 0.317 226 H C -0.751 174.559 175.328 -0.030 0.000 1.046 226 H CA 0.209 56.232 56.048 -0.041 0.000 1.470 226 H CB 0.158 29.830 29.762 -0.150 0.000 1.483 226 H HN 0.465 nan 8.280 nan 0.000 0.548 227 I N 4.349 124.620 120.570 -0.499 0.000 2.406 227 I HA 0.172 4.344 4.170 0.004 0.000 0.290 227 I C -0.195 175.605 176.117 -0.527 0.000 0.999 227 I CA -0.652 60.436 61.300 -0.353 0.000 1.124 227 I CB 1.848 39.763 38.000 -0.141 0.000 1.289 227 I HN 0.547 nan 8.210 nan 0.000 0.441 228 S N 5.774 121.293 115.700 -0.302 0.000 2.489 228 S HA 0.300 4.773 4.470 0.004 0.000 0.277 228 S C 1.189 175.742 174.600 -0.079 0.000 1.230 228 S CA -0.500 57.607 58.200 -0.155 0.000 1.053 228 S CB 1.303 64.512 63.200 0.014 0.000 0.955 228 S HN 0.604 nan 8.310 nan 0.000 0.488 229 I N 3.222 123.745 120.570 -0.078 0.000 2.361 229 I HA -0.223 3.949 4.170 0.004 0.000 0.251 229 I C 2.204 178.324 176.117 0.005 0.000 1.133 229 I CA 1.056 62.330 61.300 -0.043 0.000 1.413 229 I CB -0.196 37.765 38.000 -0.064 0.000 1.073 229 I HN 0.800 nan 8.210 nan 0.000 0.424 230 A N -0.025 122.816 122.820 0.035 0.000 2.125 230 A HA -0.199 4.124 4.320 0.004 0.000 0.219 230 A C 2.345 180.029 177.584 0.167 0.000 1.156 230 A CA 1.701 53.815 52.037 0.129 0.000 0.671 230 A CB -0.708 18.416 19.000 0.207 0.000 0.794 230 A HN 0.614 nan 8.150 nan 0.000 0.459 231 S N -1.199 114.553 115.700 0.087 0.000 2.527 231 S HA 0.209 4.681 4.470 0.004 0.000 0.222 231 S C 0.462 175.084 174.600 0.037 0.000 0.985 231 S CA -0.220 58.011 58.200 0.053 0.000 0.921 231 S CB -0.489 62.724 63.200 0.021 0.000 0.772 231 S HN 0.168 nan 8.310 nan 0.000 0.529 232 L N 2.614 123.859 121.223 0.036 0.000 2.452 232 L HA 0.412 4.754 4.340 0.004 0.000 0.267 232 L C -2.292 174.601 176.870 0.038 0.000 1.188 232 L CA -1.844 53.012 54.840 0.026 0.000 0.821 232 L CB -0.498 41.571 42.059 0.017 0.000 1.102 232 L HN 0.012 nan 8.230 nan 0.000 0.470 233 P HA 0.098 nan 4.420 nan 0.000 0.260 233 P C 0.726 178.048 177.300 0.036 0.000 1.172 233 P CA 1.004 64.121 63.100 0.027 0.000 0.760 233 P CB 0.394 32.103 31.700 0.014 0.000 0.773 234 G N 2.972 111.804 108.800 0.052 0.000 2.184 234 G HA2 -0.313 3.650 3.960 0.004 0.000 0.264 234 G HA3 -0.313 3.650 3.960 0.004 0.000 0.264 234 G C 0.849 175.790 174.900 0.069 0.000 0.975 234 G CA 0.171 45.304 45.100 0.055 0.000 0.642 234 G HN 0.412 nan 8.290 nan 0.000 0.536 235 M N -0.925 118.727 119.600 0.087 0.000 2.516 235 M HA 0.243 4.726 4.480 0.004 0.000 0.259 235 M C 2.031 178.391 176.300 0.100 0.000 1.146 235 M CA 0.202 55.544 55.300 0.070 0.000 1.122 235 M CB -0.947 31.682 32.600 0.047 0.000 1.341 235 M HN 0.563 nan 8.290 nan 0.000 0.478 236 W N 2.432 123.725 121.300 -0.011 0.000 2.321 236 W HA -0.220 4.430 4.660 -0.016 0.000 0.306 236 W C 1.105 177.628 176.519 0.007 0.000 1.217 236 W CA 1.451 58.790 57.345 -0.011 0.000 1.257 236 W CB -0.024 29.432 29.460 -0.007 0.000 1.145 236 W HN 0.165 nan 8.180 nan 0.000 0.509 237 E N 0.315 120.546 120.200 0.052 0.000 2.478 237 E HA -0.157 4.195 4.350 0.004 0.000 0.198 237 E C 1.494 178.091 176.600 -0.005 0.000 1.046 237 E CA 1.094 57.516 56.400 0.038 0.000 0.870 237 E CB -0.181 29.601 29.700 0.137 0.000 0.818 237 E HN 0.621 nan 8.360 nan 0.000 0.527 238 R N -1.080 119.369 120.500 -0.085 0.000 2.616 238 R HA 0.272 4.614 4.340 0.004 0.000 0.427 238 R C -0.209 175.993 176.300 -0.162 0.000 1.030 238 R CA -0.204 55.840 56.100 -0.093 0.000 1.133 238 R CB 0.251 30.538 30.300 -0.022 0.000 1.444 238 R HN -0.236 nan 8.270 nan 0.000 0.578 239 T N 1.491 115.892 114.554 -0.255 0.000 2.861 239 T HA 0.480 4.833 4.350 0.004 0.000 0.287 239 T C -0.796 173.693 174.700 -0.351 0.000 1.003 239 T CA -0.548 61.402 62.100 -0.250 0.000 0.977 239 T CB 2.179 70.948 68.868 -0.166 0.000 0.996 239 T HN 0.088 nan 8.240 nan 0.000 0.448 240 L N 2.687 123.732 121.223 -0.297 0.000 2.305 240 L HA 0.518 4.860 4.340 0.004 0.000 0.284 240 L C 0.019 176.748 176.870 -0.235 0.000 1.013 240 L CA -0.701 53.960 54.840 -0.297 0.000 0.819 240 L CB 1.711 43.593 42.059 -0.294 0.000 1.227 240 L HN 0.600 nan 8.230 nan 0.000 0.417 241 T N 4.457 118.897 114.554 -0.190 0.000 2.758 241 T HA 0.587 4.940 4.350 0.004 0.000 0.285 241 T C -0.115 174.491 174.700 -0.156 0.000 0.981 241 T CA -0.236 61.781 62.100 -0.138 0.000 0.965 241 T CB 1.113 69.948 68.868 -0.054 0.000 0.927 241 T HN 0.260 nan 8.240 nan 0.000 0.448 242 I N 2.472 122.909 120.570 -0.222 0.000 2.441 242 I HA 0.674 4.846 4.170 0.004 0.000 0.295 242 I C 0.736 176.558 176.117 -0.492 0.000 0.994 242 I CA -0.487 60.611 61.300 -0.337 0.000 1.144 242 I CB 1.814 39.640 38.000 -0.289 0.000 1.314 242 I HN 0.721 nan 8.210 nan 0.000 0.445 243 G N 2.682 110.898 108.800 -0.973 0.000 2.658 243 G HA2 0.610 4.573 3.960 0.004 0.000 0.292 243 G HA3 0.610 4.573 3.960 0.004 0.000 0.292 243 G C -1.653 172.348 174.900 -1.499 0.000 1.320 243 G CA -0.490 43.904 45.100 -1.177 0.000 0.933 243 G HN 0.456 nan 8.290 nan 0.000 0.476 244 S N -1.078 114.014 115.700 -1.013 0.000 2.672 244 S HA 0.552 5.024 4.470 0.004 0.000 0.291 244 S C 1.039 175.548 174.600 -0.153 0.000 1.145 244 S CA 0.406 58.259 58.200 -0.579 0.000 1.013 244 S CB 1.389 64.357 63.200 -0.386 0.000 1.017 244 S HN 1.428 nan 8.310 nan 0.000 0.487 245 A N 4.492 127.426 122.820 0.190 0.000 1.933 245 A HA 0.285 4.607 4.320 0.004 0.000 0.218 245 A C 1.443 179.157 177.584 0.216 0.000 1.175 245 A CA 1.294 53.636 52.037 0.508 0.000 0.628 245 A CB -1.355 18.079 19.000 0.724 0.000 0.814 245 A HN 1.102 nan 8.150 nan 0.000 0.444 249 F N 2.543 122.514 119.950 0.035 0.000 2.668 249 F HA 0.535 5.063 4.527 0.002 0.000 0.301 249 F C 0.903 176.470 175.800 -0.388 0.000 1.106 249 F CA -0.519 57.330 58.000 -0.253 0.000 1.289 249 F CB 0.145 38.844 39.000 -0.502 0.000 1.006 249 F HN -0.014 nan 8.300 nan 0.000 0.535 250 S N 1.061 116.733 115.700 -0.048 0.000 3.706 250 S HA -0.115 4.357 4.470 0.004 0.000 0.363 250 S C 0.344 174.802 174.600 -0.237 0.000 0.999 250 S CA 0.576 58.729 58.200 -0.078 0.000 1.143 250 S CB -1.471 61.648 63.200 -0.135 0.000 0.902 250 S HN 0.616 nan 8.310 nan 0.000 0.476 251 A N 0.272 122.896 122.820 -0.327 0.000 3.453 251 A HA 0.621 4.943 4.320 0.004 0.000 0.262 251 A C 1.115 178.501 177.584 -0.331 0.000 1.026 251 A CA 0.336 52.023 52.037 -0.584 0.000 0.938 251 A CB -0.010 18.039 19.000 -1.585 0.000 1.246 251 A HN 0.769 nan 8.150 nan 0.000 0.546 252 T N -2.653 111.831 114.554 -0.117 0.000 2.881 252 T HA -0.085 4.268 4.350 0.004 0.000 0.270 252 T C 1.740 176.447 174.700 0.012 0.000 1.068 252 T CA 1.909 63.997 62.100 -0.019 0.000 1.131 252 T CB -0.245 68.636 68.868 0.021 0.000 0.871 252 T HN 0.765 nan 8.240 nan 0.000 0.479 253 G N -0.532 108.277 108.800 0.016 0.000 2.679 253 G HA2 0.015 3.977 3.960 0.004 0.000 0.212 253 G HA3 0.015 3.977 3.960 0.004 0.000 0.212 253 G C 0.974 176.077 174.900 0.337 0.000 1.137 253 G CA -0.051 45.122 45.100 0.121 0.000 0.787 253 G HN 0.499 nan 8.290 nan 0.000 0.534 254 W N 0.272 121.605 121.300 0.056 0.000 2.436 254 W HA 0.207 4.869 4.660 0.002 0.000 0.284 254 W C 0.944 177.495 176.519 0.053 0.000 1.225 254 W CA -0.053 57.327 57.345 0.059 0.000 1.271 254 W CB 0.082 29.549 29.460 0.012 0.000 1.114 254 W HN 0.027 nan 8.180 nan 0.000 0.559 255 K N -0.030 120.540 120.400 0.283 0.000 3.278 255 K HA -0.165 4.157 4.320 0.004 0.000 0.270 255 K C -0.792 175.928 176.600 0.199 0.000 0.955 255 K CA 0.513 56.913 56.287 0.190 0.000 0.723 255 K CB -2.131 30.451 32.500 0.138 0.000 1.382 255 K HN 0.001 nan 8.250 nan 0.000 0.461 256 V N -0.261 119.802 119.914 0.248 0.000 2.448 256 V HA 0.792 4.914 4.120 0.004 0.000 0.295 256 V C 1.000 177.241 176.094 0.245 0.000 1.025 256 V CA -0.165 62.301 62.300 0.276 0.000 0.859 256 V CB 2.154 34.189 31.823 0.355 0.000 0.988 256 V HN 0.525 nan 8.190 nan 0.000 0.431 257 G N 3.058 111.972 108.800 0.190 0.000 2.949 257 G HA2 0.853 4.815 3.960 0.004 0.000 0.285 257 G HA3 0.853 4.815 3.960 0.004 0.000 0.285 257 G C -1.885 173.117 174.900 0.171 0.000 1.395 257 G CA -0.656 44.402 45.100 -0.071 0.000 0.901 257 G HN 0.963 nan 8.290 nan 0.000 0.519 258 W N -1.699 119.622 121.300 0.035 0.000 3.146 258 W HA 0.701 5.364 4.660 0.005 0.000 0.319 258 W C -1.657 174.815 176.519 -0.078 0.000 1.258 258 W CA -1.373 55.965 57.345 -0.012 0.000 1.189 258 W CB 1.122 30.570 29.460 -0.020 0.000 1.412 258 W HN 0.411 nan 8.180 nan 0.000 0.567 259 V N 2.506 122.501 119.914 0.134 0.000 2.604 259 V HA 0.620 4.742 4.120 0.004 0.000 0.305 259 V C -0.299 175.828 176.094 0.056 0.000 1.043 259 V CA -1.156 61.150 62.300 0.011 0.000 0.888 259 V CB 1.373 33.150 31.823 -0.077 0.000 0.995 259 V HN 0.598 nan 8.190 nan 0.000 0.429 260 L N 3.612 124.843 121.223 0.013 0.000 2.346 260 L HA 1.022 5.364 4.340 0.004 0.000 0.276 260 L C 0.452 177.208 176.870 -0.190 0.000 1.006 260 L CA -0.206 54.644 54.840 0.018 0.000 0.817 260 L CB 1.926 44.061 42.059 0.126 0.000 1.272 260 L HN 0.901 nan 8.230 nan 0.000 0.421 261 G N 2.232 110.845 108.800 -0.313 0.000 2.349 261 G HA2 0.398 4.360 3.960 0.004 0.000 0.294 261 G HA3 0.398 4.360 3.960 0.004 0.000 0.294 261 G C -3.333 171.154 174.900 -0.688 0.000 1.380 261 G CA -0.643 43.965 45.100 -0.821 0.000 0.811 261 G HN 0.271 nan 8.290 nan 0.000 0.519 262 P HA 0.216 nan 4.420 nan 0.000 0.274 262 P C 0.020 177.176 177.300 -0.241 0.000 1.231 262 P CA 0.055 62.944 63.100 -0.353 0.000 0.790 262 P CB 1.850 33.331 31.700 -0.366 0.000 0.951 263 D N 0.753 121.121 120.400 -0.054 0.000 2.158 263 D HA -0.251 4.391 4.640 0.004 0.000 0.197 263 D C 1.716 177.923 176.300 -0.155 0.000 0.995 263 D CA 1.480 55.424 54.000 -0.093 0.000 0.846 263 D CB -0.361 40.427 40.800 -0.020 0.000 0.941 263 D HN 0.526 nan 8.370 nan 0.000 0.456 264 H N -0.296 118.695 119.070 -0.130 0.000 2.521 264 H HA -0.019 4.535 4.556 -0.003 0.000 0.286 264 H C 1.964 177.213 175.328 -0.133 0.000 1.034 264 H CA 0.886 56.856 56.048 -0.129 0.000 1.278 264 H CB -0.313 29.411 29.762 -0.064 0.000 1.386 264 H HN 0.320 nan 8.280 nan 0.000 0.567 265 I N -0.260 119.916 120.570 -0.656 0.000 2.729 265 I HA -0.094 4.078 4.170 0.004 0.000 0.256 265 I C 2.502 178.434 176.117 -0.308 0.000 1.115 265 I CA 0.456 61.506 61.300 -0.417 0.000 1.446 265 I CB -0.099 37.596 38.000 -0.509 0.000 1.176 265 I HN 0.103 nan 8.210 nan 0.000 0.446 266 M N 2.179 121.573 119.600 -0.344 0.000 2.213 266 M HA -0.204 4.278 4.480 0.004 0.000 0.263 266 M C 2.234 178.337 176.300 -0.329 0.000 1.062 266 M CA 1.812 56.933 55.300 -0.298 0.000 1.105 266 M CB -0.457 31.981 32.600 -0.270 0.000 1.385 266 M HN 0.135 nan 8.290 nan 0.000 0.417 267 K N -1.847 118.316 120.400 -0.394 0.000 2.152 267 K HA -0.225 4.098 4.320 0.004 0.000 0.206 267 K C 1.565 177.924 176.600 -0.403 0.000 1.048 267 K CA 1.730 57.756 56.287 -0.436 0.000 0.933 267 K CB -0.895 31.334 32.500 -0.451 0.000 0.721 267 K HN 0.441 nan 8.250 nan 0.000 0.447 268 H N 0.598 119.572 119.070 -0.160 0.000 2.395 268 H HA 0.026 4.590 4.556 0.012 0.000 0.299 268 H C 2.153 177.404 175.328 -0.128 0.000 1.070 268 H CA 1.020 56.991 56.048 -0.128 0.000 1.356 268 H CB -0.101 29.587 29.762 -0.123 0.000 1.401 268 H HN 0.105 nan 8.280 nan 0.000 0.524 269 L N 0.704 121.885 121.223 -0.070 0.000 2.093 269 L HA -0.108 4.235 4.340 0.004 0.000 0.208 269 L C 2.668 179.493 176.870 -0.076 0.000 1.085 269 L CA 1.230 56.020 54.840 -0.083 0.000 0.755 269 L CB -0.363 41.620 42.059 -0.126 0.000 0.904 269 L HN 0.076 nan 8.230 nan 0.000 0.435 270 R N -1.148 119.226 120.500 -0.210 0.000 2.096 270 R HA -0.134 4.208 4.340 0.004 0.000 0.235 270 R C 2.167 178.464 176.300 -0.005 0.000 1.127 270 R CA 1.777 57.705 56.100 -0.288 0.000 0.968 270 R CB -0.839 28.952 30.300 -0.847 0.000 0.861 270 R HN 0.362 nan 8.270 nan 0.000 0.440 271 T N 0.841 115.381 114.554 -0.022 0.000 2.684 271 T HA -0.115 4.237 4.350 0.004 0.000 0.267 271 T C 2.025 176.767 174.700 0.070 0.000 1.036 271 T CA 1.417 63.544 62.100 0.045 0.000 1.148 271 T CB -0.214 68.684 68.868 0.049 0.000 0.863 271 T HN 0.000 nan 8.240 nan 0.000 0.436 272 V N 1.213 121.162 119.914 0.058 0.000 2.295 272 V HA -0.229 3.893 4.120 0.004 0.000 0.246 272 V C 2.389 178.553 176.094 0.116 0.000 1.049 272 V CA 1.797 64.134 62.300 0.062 0.000 1.024 272 V CB -0.736 31.094 31.823 0.011 0.000 0.648 272 V HN 0.634 nan 8.190 nan 0.000 0.447 273 H N 0.973 120.079 119.070 0.060 0.000 2.319 273 H HA -0.221 4.339 4.556 0.007 0.000 0.299 273 H C 2.460 177.807 175.328 0.032 0.000 1.092 273 H CA 2.264 58.364 56.048 0.086 0.000 1.302 273 H CB 0.052 29.892 29.762 0.129 0.000 1.373 273 H HN 0.696 nan 8.280 nan 0.000 0.497 274 Q N -0.391 119.446 119.800 0.062 0.000 2.369 274 Q HA -0.055 4.288 4.340 0.004 0.000 0.206 274 Q C 0.829 176.835 176.000 0.010 0.000 0.963 274 Q CA 1.027 56.733 55.803 -0.162 0.000 0.894 274 Q CB 0.043 28.710 28.738 -0.118 0.000 0.965 274 Q HN 0.327 nan 8.270 nan 0.000 0.475 275 N N 0.405 119.134 118.700 0.048 0.000 2.235 275 N HA 0.064 4.807 4.740 0.004 0.000 0.209 275 N C 0.322 175.877 175.510 0.075 0.000 1.122 275 N CA 0.726 53.822 53.050 0.078 0.000 0.845 275 N CB 1.141 39.672 38.487 0.073 0.000 1.004 275 N HN 0.432 nan 8.380 nan 0.000 0.499 276 S N -0.957 114.770 115.700 0.046 0.000 3.600 276 S HA 0.031 4.504 4.470 0.004 0.000 0.179 276 S C 1.597 176.210 174.600 0.022 0.000 0.816 276 S CA 0.280 58.520 58.200 0.066 0.000 0.916 276 S CB -0.477 62.807 63.200 0.139 0.000 1.164 276 S HN -0.069 nan 8.310 nan 0.000 0.709 277 V N -1.963 117.907 119.914 -0.073 0.000 2.992 277 V HA 0.394 4.516 4.120 0.004 0.000 0.250 277 V C 1.479 177.549 176.094 -0.039 0.000 1.090 277 V CA 1.025 63.294 62.300 -0.052 0.000 1.101 277 V CB -0.881 30.919 31.823 -0.039 0.000 0.743 277 V HN 0.658 nan 8.190 nan 0.000 0.468 278 F N -0.106 119.571 119.950 -0.456 0.000 2.555 278 F HA -0.306 4.226 4.527 0.009 0.000 0.693 278 F C 0.855 176.324 175.800 -0.550 0.000 0.487 278 F CA 2.382 60.061 58.000 -0.536 0.000 0.748 278 F CB -0.856 37.816 39.000 -0.547 0.000 1.624 278 F HN 0.466 nan 8.300 nan 0.000 0.266 279 H N -1.158 118.013 119.070 0.169 0.000 2.747 279 H HA 0.538 5.096 4.556 0.004 0.000 0.371 279 H C -0.619 174.833 175.328 0.207 0.000 1.161 279 H CA -0.528 55.642 56.048 0.204 0.000 1.167 279 H CB 1.378 31.249 29.762 0.182 0.000 1.732 279 H HN 0.132 nan 8.280 nan 0.000 0.544 280 C N 2.311 121.837 119.300 0.376 0.000 2.351 280 C HA 0.291 4.754 4.460 0.004 0.000 0.359 280 C C -1.792 173.331 174.990 0.222 0.000 1.193 280 C CA -1.205 57.982 59.018 0.282 0.000 2.270 280 C CB 0.658 28.558 27.740 0.267 0.000 2.369 280 C HN 0.597 nan 8.230 nan 0.000 0.553 281 P HA 0.112 nan 4.420 nan 0.000 0.266 281 P C 0.518 177.836 177.300 0.031 0.000 1.195 281 P CA 0.495 63.649 63.100 0.089 0.000 0.768 281 P CB 0.394 32.131 31.700 0.061 0.000 0.838 282 T N 1.022 115.569 114.554 -0.012 0.000 2.809 282 T HA -0.121 4.231 4.350 0.004 0.000 0.260 282 T C 1.616 176.145 174.700 -0.284 0.000 1.039 282 T CA 1.363 63.386 62.100 -0.128 0.000 1.141 282 T CB -0.291 68.516 68.868 -0.102 0.000 0.869 282 T HN 0.485 nan 8.240 nan 0.000 0.437 283 Q N 1.143 120.836 119.800 -0.177 0.000 2.123 283 Q HA -0.050 4.292 4.340 0.004 0.000 0.199 283 Q C 2.725 178.510 176.000 -0.360 0.000 0.966 283 Q CA 1.529 57.224 55.803 -0.180 0.000 0.845 283 Q CB -0.175 28.575 28.738 0.021 0.000 0.907 283 Q HN 0.616 nan 8.270 nan 0.000 0.439 284 S N 0.601 116.019 115.700 -0.470 0.000 2.382 284 S HA -0.231 4.242 4.470 0.004 0.000 0.228 284 S C 1.879 176.185 174.600 -0.491 0.000 1.027 284 S CA 1.018 58.661 58.200 -0.929 0.000 0.991 284 S CB -0.304 62.479 63.200 -0.694 0.000 0.823 284 S HN 0.325 nan 8.310 nan 0.000 0.469 285 Q N 1.285 120.937 119.800 -0.246 0.000 2.096 285 Q HA -0.048 4.295 4.340 0.004 0.000 0.204 285 Q C 2.647 178.600 176.000 -0.079 0.000 0.982 285 Q CA 1.525 57.291 55.803 -0.062 0.000 0.850 285 Q CB -0.586 28.166 28.738 0.025 0.000 0.901 285 Q HN 0.786 nan 8.270 nan 0.000 0.422 286 A N 1.100 123.704 122.820 -0.361 0.000 1.902 286 A HA -0.122 4.200 4.320 0.004 0.000 0.217 286 A C 2.307 179.841 177.584 -0.084 0.000 1.181 286 A CA 1.573 53.486 52.037 -0.206 0.000 0.623 286 A CB -0.730 18.048 19.000 -0.371 0.000 0.818 286 A HN 0.405 nan 8.150 nan 0.000 0.443 287 A N -0.532 122.125 122.820 -0.271 0.000 1.902 287 A HA -0.022 4.300 4.320 0.004 0.000 0.217 287 A C 2.220 179.737 177.584 -0.112 0.000 1.181 287 A CA 1.863 53.719 52.037 -0.302 0.000 0.623 287 A CB -0.930 17.548 19.000 -0.870 0.000 0.818 287 A HN 0.410 nan 8.150 nan 0.000 0.443 288 V N -0.184 119.722 119.914 -0.013 0.000 2.427 288 V HA -0.213 3.910 4.120 0.004 0.000 0.248 288 V C 3.031 179.275 176.094 0.249 0.000 1.051 288 V CA 1.780 64.206 62.300 0.210 0.000 1.048 288 V CB -1.249 30.832 31.823 0.431 0.000 0.666 288 V HN 0.619 nan 8.190 nan 0.000 0.456 289 A N -0.119 122.841 122.820 0.233 0.000 1.883 289 A HA -0.298 4.025 4.320 0.004 0.000 0.217 289 A C 2.298 179.975 177.584 0.156 0.000 1.186 289 A CA 2.122 54.303 52.037 0.240 0.000 0.624 289 A CB -0.554 18.594 19.000 0.246 0.000 0.822 289 A HN 0.622 nan 8.150 nan 0.000 0.444 290 E N -0.190 120.067 120.200 0.094 0.000 2.110 290 E HA -0.145 4.208 4.350 0.004 0.000 0.193 290 E C 2.098 178.696 176.600 -0.002 0.000 0.988 290 E CA 1.330 57.762 56.400 0.053 0.000 0.804 290 E CB -0.086 29.657 29.700 0.071 0.000 0.745 290 E HN 0.561 nan 8.360 nan 0.000 0.458 291 S N -0.084 115.559 115.700 -0.095 0.000 2.368 291 S HA -0.104 4.369 4.470 0.004 0.000 0.224 291 S C 1.510 175.976 174.600 -0.224 0.000 1.029 291 S CA 0.927 58.953 58.200 -0.291 0.000 0.988 291 S CB -0.323 62.220 63.200 -1.095 0.000 0.838 291 S HN 0.279 nan 8.310 nan 0.000 0.462 292 F N 1.926 121.870 119.950 -0.010 0.000 2.234 292 F HA -0.017 4.516 4.527 0.010 0.000 0.299 292 F C 2.338 177.984 175.800 -0.256 0.000 1.087 292 F CA 0.792 58.788 58.000 -0.007 0.000 1.340 292 F CB -0.478 38.556 39.000 0.056 0.000 1.031 292 F HN 0.235 nan 8.300 nan 0.000 0.500 293 E N -0.488 119.717 120.200 0.007 0.000 2.077 293 E HA -0.223 4.130 4.350 0.004 0.000 0.193 293 E C 2.416 178.915 176.600 -0.168 0.000 0.989 293 E CA 0.707 57.057 56.400 -0.083 0.000 0.800 293 E CB -0.179 29.500 29.700 -0.035 0.000 0.746 293 E HN 0.135 nan 8.360 nan 0.000 0.452 294 R N 1.066 121.439 120.500 -0.212 0.000 2.073 294 R HA -0.163 4.179 4.340 0.004 0.000 0.234 294 R C 1.820 177.869 176.300 -0.419 0.000 1.134 294 R CA 1.340 57.234 56.100 -0.344 0.000 0.952 294 R CB -0.049 29.926 30.300 -0.543 0.000 0.850 294 R HN 0.148 nan 8.270 nan 0.000 0.433 295 E N 0.443 120.357 120.200 -0.477 0.000 2.152 295 E HA -0.173 4.180 4.350 0.004 0.000 0.192 295 E C 1.861 178.228 176.600 -0.388 0.000 0.983 295 E CA 0.630 56.703 56.400 -0.545 0.000 0.818 295 E CB -0.107 29.082 29.700 -0.852 0.000 0.758 295 E HN 0.458 nan 8.360 nan 0.000 0.467 296 Q N 0.548 120.048 119.800 -0.500 0.000 2.084 296 Q HA -0.128 4.215 4.340 0.004 0.000 0.202 296 Q C 2.344 178.294 176.000 -0.083 0.000 0.978 296 Q CA 0.955 56.516 55.803 -0.403 0.000 0.844 296 Q CB -0.049 28.429 28.738 -0.434 0.000 0.898 296 Q HN 0.237 nan 8.270 nan 0.000 0.426 297 L N 0.185 121.339 121.223 -0.116 0.000 2.131 297 L HA -0.164 4.178 4.340 0.004 0.000 0.210 297 L C 1.788 178.646 176.870 -0.019 0.000 1.092 297 L CA 0.808 55.615 54.840 -0.055 0.000 0.759 297 L CB -0.053 41.954 42.059 -0.087 0.000 0.903 297 L HN 0.288 nan 8.230 nan 0.000 0.435 298 L N -1.227 119.965 121.223 -0.051 0.000 2.700 298 L HA 0.117 4.459 4.340 0.004 0.000 0.234 298 L C 0.265 177.175 176.870 0.066 0.000 1.156 298 L CA -0.697 54.124 54.840 -0.031 0.000 0.946 298 L CB -0.072 41.913 42.059 -0.123 0.000 1.216 298 L HN 0.022 nan 8.230 nan 0.000 0.493 299 F N 2.052 121.997 119.950 -0.008 0.000 2.612 299 F HA -0.034 4.498 4.527 0.008 0.000 0.389 299 F C 1.453 177.320 175.800 0.112 0.000 1.055 299 F CA 0.223 58.287 58.000 0.106 0.000 1.232 299 F CB -0.042 39.098 39.000 0.234 0.000 1.044 299 F HN 0.168 nan 8.300 nan 0.000 0.560 300 R N 1.500 121.735 120.500 -0.442 0.000 3.994 300 R HA -0.254 4.088 4.340 0.004 0.000 0.403 300 R C -0.036 176.188 176.300 -0.127 0.000 1.126 300 R CA 1.202 57.080 56.100 -0.370 0.000 1.143 300 R CB -1.522 28.482 30.300 -0.494 0.000 1.695 300 R HN 0.742 nan 8.270 nan 0.000 0.555 301 Q N 0.169 119.932 119.800 -0.061 0.000 2.260 301 Q HA 0.149 4.492 4.340 0.004 0.000 0.242 301 Q C -1.646 174.348 176.000 -0.010 0.000 0.932 301 Q CA -1.888 53.900 55.803 -0.025 0.000 0.891 301 Q CB 0.816 29.545 28.738 -0.014 0.000 1.222 301 Q HN -0.127 nan 8.270 nan 0.000 0.453 302 P HA -0.160 nan 4.420 nan 0.000 0.220 302 P C 0.925 178.240 177.300 0.025 0.000 1.148 302 P CA 1.245 64.354 63.100 0.016 0.000 0.803 302 P CB 0.209 31.917 31.700 0.014 0.000 0.782 303 S N -1.845 113.862 115.700 0.012 0.000 2.558 303 S HA 0.051 4.523 4.470 0.004 0.000 0.217 303 S C 0.954 175.561 174.600 0.012 0.000 0.975 303 S CA -0.265 57.944 58.200 0.017 0.000 0.912 303 S CB -1.111 62.088 63.200 -0.001 0.000 0.776 303 S HN 0.183 nan 8.310 nan 0.000 0.526 304 S N 0.645 116.342 115.700 -0.004 0.000 2.576 304 S HA 0.258 4.730 4.470 0.004 0.000 0.276 304 S C 0.557 175.198 174.600 0.068 0.000 1.339 304 S CA -0.620 57.556 58.200 -0.041 0.000 1.039 304 S CB 0.192 63.356 63.200 -0.059 0.000 0.902 304 S HN 0.312 nan 8.310 nan 0.000 0.516 305 Y N 2.375 122.614 120.300 -0.102 0.000 2.224 305 Y HA -0.050 4.502 4.550 0.003 0.000 0.289 305 Y C 1.392 177.452 175.900 0.267 0.000 1.146 305 Y CA 1.322 59.484 58.100 0.104 0.000 1.182 305 Y CB -0.393 38.171 38.460 0.173 0.000 0.983 305 Y HN 0.748 nan 8.280 nan 0.000 0.524 306 F N -1.629 118.386 119.950 0.109 0.000 2.546 306 F HA -0.084 4.444 4.527 0.002 0.000 0.298 306 F C 2.127 178.000 175.800 0.123 0.000 1.120 306 F CA 0.326 58.350 58.000 0.040 0.000 1.456 306 F CB -1.191 37.692 39.000 -0.194 0.000 1.088 306 F HN -0.059 nan 8.300 nan 0.000 0.572 307 V N -0.891 119.168 119.914 0.242 0.000 2.436 307 V HA -0.137 3.986 4.120 0.004 0.000 0.240 307 V C 2.166 178.341 176.094 0.134 0.000 1.040 307 V CA 1.084 63.484 62.300 0.165 0.000 1.052 307 V CB -0.533 31.347 31.823 0.096 0.000 0.707 307 V HN 0.150 nan 8.190 nan 0.000 0.469 308 Q N -0.807 119.063 119.800 0.116 0.000 2.079 308 Q HA -0.189 4.153 4.340 0.004 0.000 0.200 308 Q C 2.132 178.189 176.000 0.093 0.000 0.974 308 Q CA 2.046 57.910 55.803 0.101 0.000 0.840 308 Q CB -0.225 28.589 28.738 0.126 0.000 0.898 308 Q HN 0.592 nan 8.270 nan 0.000 0.430 309 F N 1.705 121.555 119.950 -0.166 0.000 2.113 309 F HA -0.064 4.465 4.527 0.004 0.000 0.297 309 F C -1.033 174.776 175.800 0.016 0.000 1.103 309 F CA 0.679 58.537 58.000 -0.236 0.000 1.248 309 F CB -1.055 37.463 39.000 -0.803 0.000 0.999 309 F HN 0.019 nan 8.300 nan 0.000 0.475 310 P HA -0.179 nan 4.420 nan 0.000 0.218 310 P C 1.387 178.770 177.300 0.138 0.000 1.149 310 P CA 1.752 64.923 63.100 0.119 0.000 0.817 310 P CB -0.208 31.607 31.700 0.191 0.000 0.785 311 Q N -0.609 119.238 119.800 0.079 0.000 2.079 311 Q HA -0.105 4.237 4.340 0.004 0.000 0.200 311 Q C 2.259 178.244 176.000 -0.025 0.000 0.974 311 Q CA 1.648 57.481 55.803 0.050 0.000 0.840 311 Q CB -0.669 28.100 28.738 0.050 0.000 0.898 311 Q HN 0.178 nan 8.270 nan 0.000 0.430 312 A N 0.695 123.475 122.820 -0.067 0.000 1.902 312 A HA -0.165 4.157 4.320 0.004 0.000 0.217 312 A C 2.005 179.488 177.584 -0.168 0.000 1.181 312 A CA 1.255 53.227 52.037 -0.108 0.000 0.623 312 A CB -0.298 18.645 19.000 -0.096 0.000 0.818 312 A HN 0.236 nan 8.150 nan 0.000 0.443 313 M N -0.713 118.738 119.600 -0.249 0.000 2.319 313 M HA -0.097 4.385 4.480 0.004 0.000 0.265 313 M C 2.167 178.304 176.300 -0.273 0.000 1.068 313 M CA 1.392 56.585 55.300 -0.179 0.000 1.118 313 M CB -1.305 31.197 32.600 -0.165 0.000 1.395 313 M HN 0.695 nan 8.290 nan 0.000 0.435 314 Q N 0.621 120.228 119.800 -0.320 0.000 2.124 314 Q HA -0.163 4.180 4.340 0.004 0.000 0.202 314 Q C 2.079 177.848 176.000 -0.386 0.000 0.977 314 Q CA 1.536 57.019 55.803 -0.534 0.000 0.850 314 Q CB 0.117 28.723 28.738 -0.221 0.000 0.901 314 Q HN 0.457 nan 8.270 nan 0.000 0.429 315 R N -0.674 119.694 120.500 -0.220 0.000 2.081 315 R HA -0.115 4.227 4.340 0.004 0.000 0.235 315 R C 2.487 178.704 176.300 -0.139 0.000 1.131 315 R CA 1.412 57.423 56.100 -0.148 0.000 0.960 315 R CB -0.428 29.822 30.300 -0.082 0.000 0.856 315 R HN 0.369 nan 8.270 nan 0.000 0.436 316 C N 0.272 119.481 119.300 -0.153 0.000 2.446 316 C HA -0.038 4.424 4.460 0.004 0.000 0.277 316 C C 2.715 177.542 174.990 -0.272 0.000 1.275 316 C CA 0.322 59.278 59.018 -0.104 0.000 1.727 316 C CB -0.892 26.859 27.740 0.017 0.000 2.010 316 C HN 0.489 nan 8.230 nan 0.000 0.486 317 R N 1.224 121.300 120.500 -0.707 0.000 2.083 317 R HA -0.171 4.172 4.340 0.004 0.000 0.237 317 R C 1.598 177.573 176.300 -0.542 0.000 1.137 317 R CA 2.244 57.634 56.100 -1.183 0.000 0.951 317 R CB -0.479 28.821 30.300 -1.668 0.000 0.851 317 R HN 0.462 nan 8.270 nan 0.000 0.434 318 D N -0.872 119.303 120.400 -0.374 0.000 2.144 318 D HA -0.167 4.475 4.640 0.004 0.000 0.200 318 D C 1.740 177.983 176.300 -0.095 0.000 0.978 318 D CA 1.334 55.209 54.000 -0.210 0.000 0.833 318 D CB -0.479 40.221 40.800 -0.168 0.000 0.961 318 D HN 0.539 nan 8.370 nan 0.000 0.470 319 H N -0.159 118.803 119.070 -0.179 0.000 2.319 319 H HA -0.079 4.479 4.556 0.004 0.000 0.299 319 H C 2.227 177.484 175.328 -0.118 0.000 1.092 319 H CA 1.392 57.367 56.048 -0.120 0.000 1.302 319 H CB 0.025 29.731 29.762 -0.093 0.000 1.373 319 H HN 0.018 nan 8.280 nan 0.000 0.497 320 M N 0.150 119.756 119.600 0.010 0.000 2.175 320 M HA -0.110 4.373 4.480 0.004 0.000 0.264 320 M C 2.037 178.284 176.300 -0.089 0.000 1.063 320 M CA 1.389 56.648 55.300 -0.068 0.000 1.119 320 M CB 0.044 32.594 32.600 -0.084 0.000 1.377 320 M HN 0.368 nan 8.290 nan 0.000 0.415 321 I N -0.138 120.368 120.570 -0.107 0.000 2.163 321 I HA -0.350 3.822 4.170 0.004 0.000 0.243 321 I C 2.506 178.585 176.117 -0.064 0.000 1.085 321 I CA 1.468 62.713 61.300 -0.091 0.000 1.347 321 I CB -0.422 37.515 38.000 -0.105 0.000 1.044 321 I HN 0.312 nan 8.210 nan 0.000 0.408 322 R N 0.034 120.505 120.500 -0.049 0.000 2.066 322 R HA -0.108 4.234 4.340 0.004 0.000 0.232 322 R C 2.544 178.824 176.300 -0.033 0.000 1.131 322 R CA 1.693 57.767 56.100 -0.043 0.000 0.955 322 R CB -0.306 29.961 30.300 -0.055 0.000 0.851 322 R HN 0.268 nan 8.270 nan 0.000 0.432 323 S N 1.183 116.883 115.700 -0.000 0.000 2.356 323 S HA -0.075 4.397 4.470 0.004 0.000 0.223 323 S C 1.955 176.517 174.600 -0.064 0.000 1.032 323 S CA 1.035 59.236 58.200 0.001 0.000 1.005 323 S CB -0.171 63.075 63.200 0.076 0.000 0.867 323 S HN 0.213 nan 8.310 nan 0.000 0.449 324 L N 1.339 122.494 121.223 -0.114 0.000 2.191 324 L HA -0.138 4.204 4.340 0.004 0.000 0.212 324 L C 2.558 179.360 176.870 -0.113 0.000 1.103 324 L CA 1.022 55.761 54.840 -0.168 0.000 0.769 324 L CB -0.576 41.317 42.059 -0.277 0.000 0.908 324 L HN 0.369 nan 8.230 nan 0.000 0.438 325 Q N -0.273 119.483 119.800 -0.073 0.000 2.291 325 Q HA -0.167 4.175 4.340 0.004 0.000 0.206 325 Q C 2.370 178.331 176.000 -0.065 0.000 0.976 325 Q CA 1.586 57.359 55.803 -0.049 0.000 0.875 325 Q CB -0.129 28.589 28.738 -0.034 0.000 0.927 325 Q HN 0.627 nan 8.270 nan 0.000 0.450 326 S N -0.021 115.631 115.700 -0.080 0.000 2.469 326 S HA -0.088 4.384 4.470 0.004 0.000 0.238 326 S C 1.763 176.289 174.600 -0.125 0.000 0.998 326 S CA 1.091 59.243 58.200 -0.080 0.000 0.957 326 S CB -0.219 62.945 63.200 -0.060 0.000 0.764 326 S HN 0.332 nan 8.310 nan 0.000 0.514 327 V N -3.270 116.520 119.914 -0.207 0.000 3.427 327 V HA 0.749 4.871 4.120 0.004 0.000 0.305 327 V C 1.315 177.334 176.094 -0.125 0.000 1.412 327 V CA 0.076 62.172 62.300 -0.339 0.000 1.086 327 V CB -0.655 30.581 31.823 -0.979 0.000 0.964 327 V HN 0.728 nan 8.190 nan 0.000 0.439 328 G N 0.789 109.557 108.800 -0.054 0.000 2.176 328 G HA2 -0.210 3.753 3.960 0.004 0.000 0.232 328 G HA3 -0.210 3.753 3.960 0.004 0.000 0.232 328 G C -0.089 174.901 174.900 0.150 0.000 0.986 328 G CA 0.128 45.221 45.100 -0.011 0.000 0.643 328 G HN 0.556 nan 8.290 nan 0.000 0.522 329 L N 0.787 122.132 121.223 0.202 0.000 2.426 329 L HA 0.410 4.752 4.340 0.004 0.000 0.271 329 L C 0.405 177.353 176.870 0.130 0.000 1.169 329 L CA -0.137 54.843 54.840 0.233 0.000 0.836 329 L CB 0.643 42.802 42.059 0.167 0.000 1.112 329 L HN -0.112 nan 8.230 nan 0.000 0.465 330 K N 3.597 124.092 120.400 0.159 0.000 2.419 330 K HA 0.381 4.703 4.320 0.004 0.000 0.244 330 K C -2.487 174.213 176.600 0.166 0.000 1.045 330 K CA -1.892 54.474 56.287 0.131 0.000 1.004 330 K CB 1.223 33.799 32.500 0.127 0.000 1.376 330 K HN 0.173 nan 8.250 nan 0.000 0.460 331 P HA 0.149 nan 4.420 nan 0.000 0.269 331 P C -0.285 177.099 177.300 0.140 0.000 1.209 331 P CA -0.332 62.844 63.100 0.127 0.000 0.776 331 P CB 0.487 32.218 31.700 0.051 0.000 0.876 332 I N 3.144 123.803 120.570 0.148 0.000 2.321 332 I HA 0.232 4.405 4.170 0.004 0.000 0.291 332 I C 0.373 176.518 176.117 0.047 0.000 0.998 332 I CA -0.258 61.114 61.300 0.120 0.000 1.227 332 I CB 0.479 38.545 38.000 0.110 0.000 1.368 332 I HN 0.188 nan 8.210 nan 0.000 0.466 333 I N 9.241 129.831 120.570 0.034 0.000 2.517 333 I HA 0.168 4.340 4.170 0.004 0.000 0.285 333 I C -1.961 174.146 176.117 -0.017 0.000 1.106 333 I CA -1.427 59.871 61.300 -0.003 0.000 1.402 333 I CB 0.259 38.255 38.000 -0.007 0.000 1.399 333 I HN 0.332 nan 8.210 nan 0.000 0.535 334 P HA 0.195 nan 4.420 nan 0.000 0.282 334 P C -0.729 176.614 177.300 0.072 0.000 1.249 334 P CA -0.501 62.622 63.100 0.038 0.000 0.806 334 P CB 1.483 33.282 31.700 0.165 0.000 0.984 335 Q N 0.502 120.296 119.800 -0.011 0.000 2.356 335 Q HA 0.366 4.708 4.340 0.004 0.000 0.205 335 Q C 0.933 176.933 176.000 0.001 0.000 0.901 335 Q CA 0.499 56.249 55.803 -0.087 0.000 0.938 335 Q CB 0.297 28.727 28.738 -0.513 0.000 1.081 335 Q HN 0.749 nan 8.270 nan 0.000 0.517 336 G N -1.394 107.439 108.800 0.056 0.000 2.548 336 G HA2 0.525 4.487 3.960 0.004 0.000 0.301 336 G HA3 0.525 4.487 3.960 0.004 0.000 0.301 336 G C -1.135 173.792 174.900 0.045 0.000 1.349 336 G CA -0.128 44.888 45.100 -0.140 0.000 0.792 336 G HN 0.507 nan 8.290 nan 0.000 0.481 337 S N -2.319 113.324 115.700 -0.096 0.000 3.976 337 S HA -0.228 4.244 4.470 0.004 0.000 0.652 337 S C 0.321 174.777 174.600 -0.241 0.000 1.522 337 S CA 0.586 58.557 58.200 -0.382 0.000 1.667 337 S CB -1.101 61.798 63.200 -0.502 0.000 0.332 337 S HN 1.660 nan 8.310 nan 0.000 1.594 338 Y N 0.730 120.404 120.300 -1.043 0.000 2.583 338 Y HA 0.401 4.954 4.550 0.004 0.000 0.293 338 Y C 0.904 175.740 175.900 -1.773 0.000 1.157 338 Y CA -0.404 56.862 58.100 -1.390 0.000 1.315 338 Y CB -0.648 36.813 38.460 -1.665 0.000 1.021 338 Y HN 0.476 nan 8.280 nan 0.000 0.536 339 F N -0.113 119.610 119.950 -0.378 0.000 2.561 339 F HA 0.583 5.112 4.527 0.003 0.000 0.321 339 F C -0.384 175.534 175.800 0.196 0.000 1.065 339 F CA -1.896 56.011 58.000 -0.155 0.000 0.934 339 F CB 1.500 40.414 39.000 -0.143 0.000 1.215 339 F HN -0.344 nan 8.300 nan 0.000 0.471 340 L N 1.304 122.815 121.223 0.481 0.000 2.350 340 L HA 0.871 5.213 4.340 0.004 0.000 0.260 340 L C -0.863 176.184 176.870 0.294 0.000 1.015 340 L CA -1.217 53.830 54.840 0.345 0.000 0.821 340 L CB 1.844 44.097 42.059 0.324 0.000 1.370 340 L HN 0.616 nan 8.230 nan 0.000 0.416 341 I N -0.970 119.705 120.570 0.175 0.000 2.562 341 I HA 0.911 5.083 4.170 0.004 0.000 0.301 341 I C -0.323 175.974 176.117 0.300 0.000 1.003 341 I CA -0.432 60.994 61.300 0.210 0.000 1.127 341 I CB 2.233 40.254 38.000 0.035 0.000 1.304 341 I HN 0.841 nan 8.210 nan 0.000 0.446 342 T N 0.028 114.831 114.554 0.415 0.000 2.829 342 T HA 0.323 4.676 4.350 0.004 0.000 0.280 342 T C -0.479 174.480 174.700 0.432 0.000 0.999 342 T CA -0.692 61.645 62.100 0.394 0.000 0.983 342 T CB 1.609 70.712 68.868 0.392 0.000 0.968 342 T HN 0.671 nan 8.240 nan 0.000 0.446 343 D N 2.031 122.671 120.400 0.401 0.000 2.383 343 D HA 0.120 4.763 4.640 0.004 0.000 0.252 343 D C 0.967 177.359 176.300 0.152 0.000 1.166 343 D CA -0.788 53.353 54.000 0.235 0.000 0.879 343 D CB 0.521 41.475 40.800 0.256 0.000 1.164 343 D HN 0.720 nan 8.370 nan 0.000 0.462 344 I N 0.675 121.278 120.570 0.055 0.000 3.927 344 I HA 0.111 4.284 4.170 0.004 0.000 0.332 344 I C 1.384 177.522 176.117 0.036 0.000 1.485 344 I CA -0.437 60.892 61.300 0.049 0.000 1.131 344 I CB 0.120 37.928 38.000 -0.321 0.000 1.092 344 I HN 0.152 nan 8.210 nan 0.000 0.410 345 S N 0.382 116.060 115.700 -0.037 0.000 2.400 345 S HA -0.209 4.263 4.470 0.004 0.000 0.232 345 S C 1.382 175.882 174.600 -0.167 0.000 1.025 345 S CA 1.571 59.660 58.200 -0.184 0.000 0.993 345 S CB -0.506 62.511 63.200 -0.304 0.000 0.808 345 S HN 0.516 nan 8.310 nan 0.000 0.478 346 D N 1.073 121.403 120.400 -0.115 0.000 2.144 346 D HA 0.019 4.662 4.640 0.004 0.000 0.200 346 D C 1.524 177.685 176.300 -0.232 0.000 0.978 346 D CA 0.917 54.798 54.000 -0.198 0.000 0.833 346 D CB -0.459 40.188 40.800 -0.255 0.000 0.961 346 D HN 0.480 nan 8.370 nan 0.000 0.470 347 F N 1.309 121.217 119.950 -0.070 0.000 2.146 347 F HA -0.060 4.470 4.527 0.004 0.000 0.298 347 F C 2.426 178.148 175.800 -0.130 0.000 1.096 347 F CA 0.855 58.856 58.000 0.002 0.000 1.275 347 F CB -0.231 38.834 39.000 0.109 0.000 1.008 347 F HN -0.154 nan 8.300 nan 0.000 0.480 348 K N 0.553 120.821 120.400 -0.219 0.000 2.063 348 K HA -0.229 4.093 4.320 0.004 0.000 0.208 348 K C 2.408 178.745 176.600 -0.439 0.000 1.048 348 K CA 1.427 57.222 56.287 -0.819 0.000 0.928 348 K CB -0.117 31.837 32.500 -0.909 0.000 0.713 348 K HN 0.132 nan 8.250 nan 0.000 0.442 349 R N 0.680 121.013 120.500 -0.278 0.000 2.066 349 R HA -0.089 4.253 4.340 0.004 0.000 0.232 349 R C 1.785 178.000 176.300 -0.141 0.000 1.131 349 R CA 1.659 57.638 56.100 -0.202 0.000 0.955 349 R CB 0.086 30.278 30.300 -0.180 0.000 0.851 349 R HN 0.086 nan 8.270 nan 0.000 0.432 350 K N -0.742 119.587 120.400 -0.118 0.000 2.262 350 K HA 0.052 4.374 4.320 0.004 0.000 0.200 350 K C 0.900 177.484 176.600 -0.026 0.000 1.049 350 K CA 0.554 56.797 56.287 -0.074 0.000 0.979 350 K CB 0.359 32.804 32.500 -0.091 0.000 0.773 350 K HN 0.160 nan 8.250 nan 0.000 0.474 351 M N 1.981 121.584 119.600 0.004 0.000 2.952 351 M HA 0.158 4.640 4.480 0.004 0.000 0.259 351 M C -2.287 174.060 176.300 0.079 0.000 1.306 351 M CA -1.733 53.594 55.300 0.046 0.000 0.626 351 M CB 1.072 33.722 32.600 0.084 0.000 1.423 351 M HN -0.180 nan 8.290 nan 0.000 0.459 352 P HA 0.009 nan 4.420 nan 0.000 0.225 352 P C -0.209 177.168 177.300 0.129 0.000 1.156 352 P CA 0.957 64.060 63.100 0.005 0.000 0.787 352 P CB 0.199 31.859 31.700 -0.067 0.000 0.802 353 D N 0.308 120.754 120.400 0.077 0.000 2.894 353 D HA 0.202 4.845 4.640 0.004 0.000 0.248 353 D C 0.478 176.796 176.300 0.030 0.000 1.291 353 D CA -0.155 53.874 54.000 0.050 0.000 0.840 353 D CB -0.181 40.631 40.800 0.020 0.000 1.044 353 D HN 0.217 nan 8.370 nan 0.000 0.484 354 L N 2.046 123.291 121.223 0.036 0.000 2.456 354 L HA 0.177 4.519 4.340 0.004 0.000 0.272 354 L C -1.610 175.249 176.870 -0.018 0.000 1.189 354 L CA -1.341 53.472 54.840 -0.045 0.000 0.846 354 L CB 0.039 42.005 42.059 -0.156 0.000 1.111 354 L HN -0.118 nan 8.230 nan 0.000 0.475 355 P HA 0.330 nan 4.420 nan 0.000 0.272 355 P C -0.239 177.053 177.300 -0.012 0.000 1.223 355 P CA -0.052 63.046 63.100 -0.003 0.000 0.784 355 P CB 1.238 32.943 31.700 0.007 0.000 0.923 356 G N -0.562 108.234 108.800 -0.007 0.000 2.328 356 G HA2 0.483 4.446 3.960 0.004 0.000 0.295 356 G HA3 0.483 4.446 3.960 0.004 0.000 0.295 356 G C -1.335 173.560 174.900 -0.009 0.000 1.413 356 G CA -0.231 44.862 45.100 -0.011 0.000 0.817 356 G HN 0.537 nan 8.290 nan 0.000 0.546 357 A N -0.639 122.172 122.820 -0.015 0.000 2.429 357 A HA 0.563 4.885 4.320 0.004 0.000 0.242 357 A C 1.925 179.499 177.584 -0.016 0.000 1.088 357 A CA 0.646 52.671 52.037 -0.020 0.000 0.784 357 A CB 0.776 19.757 19.000 -0.033 0.000 1.038 357 A HN 2.026 nan 8.150 nan 0.000 0.501 358 V N 0.477 120.381 119.914 -0.017 0.000 2.324 358 V HA -0.197 3.926 4.120 0.004 0.000 0.250 358 V C 1.706 177.791 176.094 -0.014 0.000 1.060 358 V CA 3.041 65.333 62.300 -0.014 0.000 1.042 358 V CB -0.735 31.079 31.823 -0.015 0.000 0.650 358 V HN 1.034 nan 8.190 nan 0.000 0.450 359 D N -0.819 119.567 120.400 -0.022 0.000 2.349 359 D HA 0.001 4.643 4.640 0.004 0.000 0.214 359 D C 0.966 177.254 176.300 -0.020 0.000 1.063 359 D CA -0.149 53.836 54.000 -0.024 0.000 0.847 359 D CB -0.388 40.392 40.800 -0.033 0.000 0.933 359 D HN 0.665 nan 8.370 nan 0.000 0.513 360 E N 1.733 121.924 120.200 -0.015 0.000 2.415 360 E HA 0.106 4.458 4.350 0.004 0.000 0.260 360 E C -2.118 174.490 176.600 0.013 0.000 1.016 360 E CA -1.695 54.699 56.400 -0.010 0.000 0.924 360 E CB 0.515 30.207 29.700 -0.013 0.000 0.961 360 E HN -0.014 nan 8.360 nan 0.000 0.459 361 P HA -0.130 nan 4.420 nan 0.000 0.264 361 P C -0.329 177.018 177.300 0.079 0.000 1.183 361 P CA 0.364 63.495 63.100 0.052 0.000 0.763 361 P CB 0.292 32.020 31.700 0.047 0.000 0.807 362 Y N 4.217 124.524 120.300 0.012 0.000 2.151 362 Y HA -0.343 4.209 4.550 0.004 0.000 0.284 362 Y C 1.954 177.898 175.900 0.074 0.000 1.166 362 Y CA 2.582 60.700 58.100 0.031 0.000 1.163 362 Y CB -0.455 38.011 38.460 0.009 0.000 0.974 362 Y HN 0.442 nan 8.280 nan 0.000 0.511 363 D N -0.471 119.991 120.400 0.104 0.000 2.149 363 D HA -0.219 4.423 4.640 0.004 0.000 0.198 363 D C 1.979 178.279 176.300 -0.000 0.000 0.990 363 D CA 1.727 55.762 54.000 0.059 0.000 0.839 363 D CB -0.764 40.094 40.800 0.095 0.000 0.948 363 D HN 0.383 nan 8.370 nan 0.000 0.460 364 R N 0.052 120.542 120.500 -0.017 0.000 2.081 364 R HA 0.073 4.416 4.340 0.004 0.000 0.235 364 R C 2.725 178.994 176.300 -0.051 0.000 1.131 364 R CA 1.216 57.303 56.100 -0.022 0.000 0.960 364 R CB -0.138 30.177 30.300 0.025 0.000 0.856 364 R HN 0.215 nan 8.270 nan 0.000 0.436 365 R N -0.440 119.996 120.500 -0.106 0.000 2.075 365 R HA -0.124 4.219 4.340 0.004 0.000 0.232 365 R C 2.120 178.319 176.300 -0.169 0.000 1.126 365 R CA 1.444 57.455 56.100 -0.148 0.000 0.963 365 R CB -0.400 29.777 30.300 -0.205 0.000 0.858 365 R HN 0.190 nan 8.270 nan 0.000 0.435 366 F N 1.212 120.901 119.950 -0.435 0.000 2.134 366 F HA -0.187 4.342 4.527 0.004 0.000 0.299 366 F C 2.069 177.844 175.800 -0.042 0.000 1.097 366 F CA 1.175 58.992 58.000 -0.305 0.000 1.264 366 F CB -0.111 38.655 39.000 -0.390 0.000 1.001 366 F HN -0.280 nan 8.300 nan 0.000 0.479 367 V N 0.756 120.688 119.914 0.031 0.000 2.343 367 V HA -0.324 3.798 4.120 0.004 0.000 0.247 367 V C 2.347 178.342 176.094 -0.166 0.000 1.051 367 V CA 2.213 64.461 62.300 -0.086 0.000 1.036 367 V CB -0.671 31.063 31.823 -0.148 0.000 0.654 367 V HN 0.290 nan 8.190 nan 0.000 0.451 368 K N -1.310 119.018 120.400 -0.120 0.000 2.057 368 K HA -0.252 4.071 4.320 0.004 0.000 0.207 368 K C 1.963 178.462 176.600 -0.170 0.000 1.049 368 K CA 2.040 58.252 56.287 -0.125 0.000 0.931 368 K CB -0.323 32.140 32.500 -0.062 0.000 0.714 368 K HN 0.654 nan 8.250 nan 0.000 0.440 369 W N 1.615 122.697 121.300 -0.363 0.000 2.358 369 W HA -0.171 4.491 4.660 0.003 0.000 0.303 369 W C 2.076 178.279 176.519 -0.528 0.000 1.208 369 W CA 1.351 58.447 57.345 -0.415 0.000 1.274 369 W CB -0.124 29.076 29.460 -0.433 0.000 1.138 369 W HN -0.046 nan 8.180 nan 0.000 0.515 370 M N 0.052 119.303 119.600 -0.582 0.000 2.117 370 M HA -0.184 4.298 4.480 0.004 0.000 0.262 370 M C 1.955 177.881 176.300 -0.625 0.000 1.065 370 M CA 2.037 56.833 55.300 -0.840 0.000 1.114 370 M CB -0.414 31.853 32.600 -0.556 0.000 1.361 370 M HN 0.110 nan 8.290 nan 0.000 0.408 371 I N 0.237 120.546 120.570 -0.435 0.000 2.142 371 I HA -0.339 3.833 4.170 0.004 0.000 0.240 371 I C 2.239 178.070 176.117 -0.476 0.000 1.078 371 I CA 1.532 62.615 61.300 -0.363 0.000 1.343 371 I CB -0.393 37.432 38.000 -0.291 0.000 1.046 371 I HN 0.279 nan 8.210 nan 0.000 0.405 372 K N 0.278 120.325 120.400 -0.589 0.000 2.103 372 K HA -0.075 4.247 4.320 0.004 0.000 0.204 372 K C 1.638 177.959 176.600 -0.465 0.000 1.052 372 K CA 1.167 57.082 56.287 -0.621 0.000 0.945 372 K CB -0.062 32.134 32.500 -0.507 0.000 0.722 372 K HN 0.362 nan 8.250 nan 0.000 0.443 373 N N -0.268 118.043 118.700 -0.648 0.000 2.463 373 N HA 0.018 4.761 4.740 0.004 0.000 0.183 373 N C 1.113 176.212 175.510 -0.684 0.000 1.064 373 N CA 0.545 53.186 53.050 -0.683 0.000 0.879 373 N CB 0.551 38.448 38.487 -0.983 0.000 1.148 373 N HN 0.001 nan 8.380 nan 0.000 0.451 374 K N 0.034 119.952 120.400 -0.803 0.000 2.360 374 K HA 0.240 4.562 4.320 0.004 0.000 0.196 374 K C 0.775 177.181 176.600 -0.323 0.000 1.049 374 K CA 0.218 56.108 56.287 -0.663 0.000 1.049 374 K CB 0.675 32.513 32.500 -1.103 0.000 0.881 374 K HN 0.179 nan 8.250 nan 0.000 0.542 375 G N 1.943 110.571 108.800 -0.286 0.000 2.160 375 G HA2 -0.246 3.716 3.960 0.004 0.000 0.244 375 G HA3 -0.246 3.716 3.960 0.004 0.000 0.244 375 G C -0.252 174.612 174.900 -0.060 0.000 1.022 375 G CA 0.134 45.153 45.100 -0.135 0.000 0.741 375 G HN 0.191 nan 8.290 nan 0.000 0.508 376 L N -0.045 121.134 121.223 -0.074 0.000 2.362 376 L HA 0.656 4.998 4.340 0.004 0.000 0.275 376 L C 0.201 177.073 176.870 0.003 0.000 0.998 376 L CA -1.332 53.539 54.840 0.051 0.000 0.820 376 L CB 2.339 44.525 42.059 0.212 0.000 1.270 376 L HN -0.059 nan 8.230 nan 0.000 0.415 377 V N 2.355 122.284 119.914 0.025 0.000 2.427 377 V HA 0.827 4.949 4.120 0.004 0.000 0.286 377 V C 0.259 176.284 176.094 -0.115 0.000 1.034 377 V CA -0.276 61.995 62.300 -0.048 0.000 0.893 377 V CB 1.258 33.067 31.823 -0.023 0.000 0.982 377 V HN 0.901 nan 8.190 nan 0.000 0.452 378 A N 5.357 128.016 122.820 -0.268 0.000 2.524 378 A HA 0.928 5.250 4.320 0.004 0.000 0.286 378 A C -1.249 176.110 177.584 -0.375 0.000 1.203 378 A CA -0.686 51.059 52.037 -0.487 0.000 0.736 378 A CB 1.572 19.984 19.000 -0.979 0.000 1.322 378 A HN 0.544 nan 8.150 nan 0.000 0.424 379 I N 1.558 121.925 120.570 -0.338 0.000 2.404 379 I HA 0.379 4.551 4.170 0.004 0.000 0.293 379 I C -2.421 173.526 176.117 -0.284 0.000 0.992 379 I CA -2.464 58.597 61.300 -0.399 0.000 1.149 379 I CB 1.299 39.205 38.000 -0.158 0.000 1.315 379 I HN 0.327 nan 8.210 nan 0.000 0.446 380 P HA 0.081 nan 4.420 nan 0.000 0.271 380 P C 0.851 178.138 177.300 -0.021 0.000 1.220 380 P CA -0.001 63.013 63.100 -0.144 0.000 0.768 380 P CB 1.368 32.978 31.700 -0.150 0.000 0.848 381 V N 2.790 122.800 119.914 0.161 0.000 2.970 381 V HA -0.166 3.956 4.120 0.004 0.000 0.260 381 V C 2.450 178.758 176.094 0.357 0.000 1.100 381 V CA 2.247 64.778 62.300 0.384 0.000 1.122 381 V CB -1.241 30.816 31.823 0.391 0.000 0.721 381 V HN 0.657 nan 8.190 nan 0.000 0.483 382 S N 1.514 117.327 115.700 0.188 0.000 2.442 382 S HA -0.192 4.280 4.470 0.004 0.000 0.236 382 S C 1.903 176.520 174.600 0.028 0.000 1.007 382 S CA 1.597 59.897 58.200 0.166 0.000 0.965 382 S CB -0.875 62.382 63.200 0.095 0.000 0.773 382 S HN 0.795 nan 8.310 nan 0.000 0.504 383 I N -2.741 117.700 120.570 -0.215 0.000 2.916 383 I HA 0.134 4.306 4.170 0.004 0.000 0.267 383 I C 0.855 176.563 176.117 -0.683 0.000 1.263 383 I CA 0.925 61.944 61.300 -0.469 0.000 1.471 383 I CB -0.559 37.039 38.000 -0.670 0.000 1.089 383 I HN 0.098 nan 8.210 nan 0.000 0.468 384 F N 0.169 119.945 119.950 -0.290 0.000 2.639 384 F HA 0.387 4.916 4.527 0.003 0.000 0.300 384 F C -0.094 174.987 175.800 -1.199 0.000 1.109 384 F CA -0.506 57.046 58.000 -0.746 0.000 1.335 384 F CB -0.470 38.231 39.000 -0.498 0.000 1.014 384 F HN -0.046 nan 8.300 nan 0.000 0.537 385 Y N -0.612 119.402 120.300 -0.476 0.000 2.524 385 Y HA 0.395 4.948 4.550 0.005 0.000 0.344 385 Y C 0.709 176.540 175.900 -0.116 0.000 1.012 385 Y CA -1.790 56.167 58.100 -0.238 0.000 1.068 385 Y CB 1.448 39.895 38.460 -0.022 0.000 1.249 385 Y HN -0.094 nan 8.280 nan 0.000 0.468 386 S N 0.081 115.771 115.700 -0.017 0.000 2.563 386 S HA 0.019 4.492 4.470 0.004 0.000 0.284 386 S C 0.967 175.500 174.600 -0.112 0.000 1.331 386 S CA -0.581 57.392 58.200 -0.378 0.000 1.047 386 S CB 0.773 63.163 63.200 -1.350 0.000 0.859 386 S HN 0.553 nan 8.310 nan 0.000 0.514 387 V N 3.123 122.993 119.914 -0.073 0.000 2.287 387 V HA -0.103 4.019 4.120 0.004 0.000 0.248 387 V C -0.490 175.616 176.094 0.020 0.000 1.053 387 V CA 1.957 64.254 62.300 -0.005 0.000 1.027 387 V CB -1.990 29.833 31.823 -0.000 0.000 0.646 387 V HN 0.757 nan 8.190 nan 0.000 0.447 388 P HA -0.140 nan 4.420 nan 0.000 0.221 388 P C 1.171 178.651 177.300 0.299 0.000 1.145 388 P CA 1.530 64.681 63.100 0.085 0.000 0.795 388 P CB -0.173 31.543 31.700 0.026 0.000 0.775 389 H N -1.987 117.192 119.070 0.181 0.000 2.575 389 H HA 0.168 4.726 4.556 0.004 0.000 0.267 389 H C 1.831 177.312 175.328 0.255 0.000 0.966 389 H CA -0.116 56.128 56.048 0.327 0.000 1.165 389 H CB 0.239 30.233 29.762 0.386 0.000 1.433 389 H HN 0.203 nan 8.280 nan 0.000 0.544 390 Q N 1.172 121.120 119.800 0.247 0.000 2.124 390 Q HA -0.137 4.205 4.340 0.004 0.000 0.202 390 Q C 1.657 177.690 176.000 0.054 0.000 0.977 390 Q CA 1.163 57.049 55.803 0.139 0.000 0.850 390 Q CB 0.098 28.889 28.738 0.088 0.000 0.901 390 Q HN 0.423 nan 8.270 nan 0.000 0.429 391 K N -0.559 119.817 120.400 -0.040 0.000 2.283 391 K HA -0.133 4.189 4.320 0.004 0.000 0.202 391 K C 1.419 177.852 176.600 -0.278 0.000 1.048 391 K CA 1.073 57.245 56.287 -0.191 0.000 0.948 391 K CB 0.024 32.331 32.500 -0.321 0.000 0.742 391 K HN 0.398 nan 8.250 nan 0.000 0.458 392 H N -1.761 117.312 119.070 0.006 0.000 2.520 392 H HA 0.104 4.662 4.556 0.004 0.000 0.279 392 H C 0.001 175.128 175.328 -0.334 0.000 0.990 392 H CA 0.375 56.327 56.048 -0.161 0.000 1.288 392 H CB 0.400 30.043 29.762 -0.200 0.000 1.446 392 H HN -0.029 nan 8.280 nan 0.000 0.538 393 F N 2.002 121.903 119.950 -0.080 0.000 2.550 393 F HA 0.143 4.672 4.527 0.005 0.000 0.312 393 F C 0.099 175.803 175.800 -0.161 0.000 1.256 393 F CA -0.661 57.185 58.000 -0.256 0.000 1.182 393 F CB 0.618 39.051 39.000 -0.943 0.000 1.383 393 F HN 0.202 nan 8.300 nan 0.000 0.541 394 D N -1.123 119.319 120.400 0.069 0.000 2.440 394 D HA -0.035 4.608 4.640 0.004 0.000 0.216 394 D C 0.841 177.219 176.300 0.130 0.000 1.150 394 D CA 0.175 54.237 54.000 0.104 0.000 0.832 394 D CB -0.538 40.324 40.800 0.104 0.000 0.992 394 D HN 0.532 nan 8.370 nan 0.000 0.502 395 H N -1.452 117.592 119.070 -0.042 0.000 2.575 395 H HA 0.261 4.819 4.556 0.004 0.000 0.256 395 H C -1.157 173.963 175.328 -0.346 0.000 1.162 395 H CA -0.563 55.370 56.048 -0.192 0.000 0.969 395 H CB -0.724 28.845 29.762 -0.322 0.000 1.796 395 H HN -0.060 nan 8.280 nan 0.000 0.607 396 Y N 1.359 121.655 120.300 -0.007 0.000 2.512 396 Y HA 0.514 5.066 4.550 0.004 0.000 0.348 396 Y C 0.238 176.185 175.900 0.079 0.000 0.990 396 Y CA -1.325 56.815 58.100 0.066 0.000 1.033 396 Y CB 2.189 40.708 38.460 0.099 0.000 1.259 396 Y HN 0.205 nan 8.280 nan 0.000 0.461 397 I N -0.554 120.172 120.570 0.261 0.000 2.828 397 I HA 0.720 4.892 4.170 0.004 0.000 0.302 397 I C -1.078 175.091 176.117 0.088 0.000 1.101 397 I CA -1.272 60.093 61.300 0.108 0.000 1.031 397 I CB 2.583 40.596 38.000 0.021 0.000 1.231 397 I HN 0.561 nan 8.210 nan 0.000 0.427 398 R N 3.718 124.193 120.500 -0.043 0.000 2.338 398 R HA 0.595 4.938 4.340 0.004 0.000 0.317 398 R C -2.003 174.229 176.300 -0.114 0.000 0.968 398 R CA -0.456 55.648 56.100 0.007 0.000 0.849 398 R CB 1.204 31.495 30.300 -0.014 0.000 1.128 398 R HN 0.651 nan 8.270 nan 0.000 0.448 399 F N 2.430 122.498 119.950 0.196 0.000 2.492 399 F HA 0.421 4.950 4.527 0.004 0.000 0.327 399 F C 0.156 176.115 175.800 0.265 0.000 1.079 399 F CA -0.674 57.450 58.000 0.207 0.000 0.967 399 F CB 1.685 40.802 39.000 0.194 0.000 1.169 399 F HN 0.401 nan 8.300 nan 0.000 0.472 400 C N 4.664 124.181 119.300 0.361 0.000 2.298 400 C HA 0.512 4.974 4.460 0.004 0.000 0.323 400 C C 0.662 175.634 174.990 -0.030 0.000 1.284 400 C CA -0.793 58.263 59.018 0.063 0.000 1.577 400 C CB -1.134 26.643 27.740 0.063 0.000 2.249 400 C HN 0.816 nan 8.230 nan 0.000 0.497 401 F N 3.577 123.521 119.950 -0.011 0.000 2.695 401 F HA 0.401 4.930 4.527 0.004 0.000 0.303 401 F C 0.398 176.147 175.800 -0.085 0.000 1.091 401 F CA -0.523 57.445 58.000 -0.053 0.000 1.300 401 F CB -0.702 38.250 39.000 -0.081 0.000 1.071 401 F HN 0.178 nan 8.300 nan 0.000 0.578 402 V N 3.854 123.600 119.914 -0.281 0.000 2.149 402 V HA 0.222 4.344 4.120 0.004 0.000 0.245 402 V C -0.154 175.959 176.094 0.031 0.000 1.349 402 V CA 0.017 62.225 62.300 -0.152 0.000 1.289 402 V CB -1.054 30.401 31.823 -0.612 0.000 1.401 402 V HN 0.167 nan 8.190 nan 0.000 0.501 403 K N 1.353 121.906 120.400 0.255 0.000 2.512 403 K HA 0.403 4.725 4.320 0.004 0.000 0.263 403 K C -0.530 176.297 176.600 0.379 0.000 0.966 403 K CA -0.835 55.607 56.287 0.259 0.000 0.851 403 K CB 2.171 34.724 32.500 0.087 0.000 1.395 403 K HN 0.377 nan 8.250 nan 0.000 0.440 404 D N 1.291 121.930 120.400 0.397 0.000 2.400 404 D HA -0.049 4.593 4.640 0.004 0.000 0.238 404 D C 0.807 177.167 176.300 0.099 0.000 1.157 404 D CA 0.517 54.669 54.000 0.252 0.000 0.889 404 D CB 0.996 41.945 40.800 0.248 0.000 1.199 404 D HN 0.437 nan 8.370 nan 0.000 0.436 405 E N 1.610 121.838 120.200 0.048 0.000 2.097 405 E HA -0.261 4.091 4.350 0.004 0.000 0.196 405 E C 1.809 178.438 176.600 0.050 0.000 1.000 405 E CA 1.402 57.826 56.400 0.040 0.000 0.804 405 E CB -0.058 29.663 29.700 0.035 0.000 0.740 405 E HN 0.583 nan 8.360 nan 0.000 0.454 406 A N 0.430 123.285 122.820 0.058 0.000 1.933 406 A HA -0.179 4.143 4.320 0.004 0.000 0.218 406 A C 2.322 179.936 177.584 0.050 0.000 1.175 406 A CA 1.928 53.999 52.037 0.056 0.000 0.628 406 A CB -0.670 18.366 19.000 0.060 0.000 0.814 406 A HN 0.211 nan 8.150 nan 0.000 0.444 407 T N 0.434 115.020 114.554 0.053 0.000 2.812 407 T HA -0.025 4.327 4.350 0.004 0.000 0.264 407 T C 1.794 176.500 174.700 0.010 0.000 1.042 407 T CA 1.343 63.468 62.100 0.042 0.000 1.140 407 T CB -0.351 68.550 68.868 0.055 0.000 0.870 407 T HN 0.383 nan 8.240 nan 0.000 0.445 408 L N 0.781 121.984 121.223 -0.032 0.000 2.083 408 L HA -0.131 4.212 4.340 0.004 0.000 0.209 408 L C 2.883 179.723 176.870 -0.050 0.000 1.083 408 L CA 1.320 56.068 54.840 -0.153 0.000 0.752 408 L CB -0.640 41.180 42.059 -0.399 0.000 0.899 408 L HN 0.308 nan 8.230 nan 0.000 0.433 409 Q N -0.160 119.661 119.800 0.035 0.000 2.084 409 Q HA -0.185 4.158 4.340 0.004 0.000 0.202 409 Q C 2.486 178.522 176.000 0.060 0.000 0.978 409 Q CA 1.601 57.450 55.803 0.077 0.000 0.844 409 Q CB -0.242 28.540 28.738 0.072 0.000 0.898 409 Q HN 0.569 nan 8.270 nan 0.000 0.426 410 A N 1.080 123.929 122.820 0.047 0.000 1.933 410 A HA -0.214 4.108 4.320 0.004 0.000 0.218 410 A C 2.025 179.641 177.584 0.053 0.000 1.175 410 A CA 1.426 53.491 52.037 0.047 0.000 0.628 410 A CB -0.612 18.415 19.000 0.044 0.000 0.814 410 A HN 0.458 nan 8.150 nan 0.000 0.444 411 M N -0.397 119.230 119.600 0.046 0.000 2.080 411 M HA -0.213 4.270 4.480 0.004 0.000 0.260 411 M C 1.258 177.601 176.300 0.072 0.000 1.068 411 M CA 2.464 57.798 55.300 0.057 0.000 1.109 411 M CB -0.454 32.159 32.600 0.021 0.000 1.342 411 M HN 0.319 nan 8.290 nan 0.000 0.405 412 D N 0.280 120.724 120.400 0.073 0.000 2.178 412 D HA -0.205 4.437 4.640 0.004 0.000 0.201 412 D C 1.813 178.161 176.300 0.080 0.000 0.980 412 D CA 1.496 55.550 54.000 0.089 0.000 0.842 412 D CB -0.345 40.528 40.800 0.121 0.000 0.948 412 D HN 0.622 nan 8.370 nan 0.000 0.472 413 E N 0.661 120.904 120.200 0.073 0.000 2.051 413 E HA -0.189 4.163 4.350 0.004 0.000 0.192 413 E C 1.757 178.405 176.600 0.079 0.000 0.991 413 E CA 0.914 57.354 56.400 0.066 0.000 0.799 413 E CB 0.263 29.995 29.700 0.053 0.000 0.748 413 E HN -0.021 nan 8.360 nan 0.000 0.449 414 K N 0.473 120.926 120.400 0.088 0.000 2.057 414 K HA -0.139 4.184 4.320 0.004 0.000 0.207 414 K C 2.310 179.025 176.600 0.191 0.000 1.049 414 K CA 0.928 57.282 56.287 0.112 0.000 0.931 414 K CB -0.470 32.094 32.500 0.107 0.000 0.714 414 K HN 0.298 nan 8.250 nan 0.000 0.440 415 L N 0.427 121.759 121.223 0.182 0.000 2.093 415 L HA -0.111 4.231 4.340 0.004 0.000 0.208 415 L C 2.662 179.625 176.870 0.154 0.000 1.085 415 L CA 1.052 56.006 54.840 0.190 0.000 0.755 415 L CB -0.295 41.813 42.059 0.082 0.000 0.904 415 L HN 0.148 nan 8.230 nan 0.000 0.435 416 R N 0.214 120.781 120.500 0.113 0.000 2.081 416 R HA -0.177 4.165 4.340 0.004 0.000 0.235 416 R C 2.311 178.684 176.300 0.121 0.000 1.131 416 R CA 1.363 57.518 56.100 0.093 0.000 0.960 416 R CB -0.179 30.162 30.300 0.067 0.000 0.856 416 R HN 0.265 nan 8.270 nan 0.000 0.436 417 K N -0.405 120.076 120.400 0.135 0.000 2.057 417 K HA -0.189 4.133 4.320 0.004 0.000 0.207 417 K C 1.716 178.445 176.600 0.215 0.000 1.049 417 K CA 1.264 57.631 56.287 0.133 0.000 0.931 417 K CB -0.217 32.335 32.500 0.086 0.000 0.714 417 K HN 0.237 nan 8.250 nan 0.000 0.440 418 W N 2.470 123.789 121.300 0.032 0.000 2.358 418 W HA -0.131 4.531 4.660 0.003 0.000 0.303 418 W C 1.693 178.271 176.519 0.099 0.000 1.208 418 W CA 1.238 58.618 57.345 0.058 0.000 1.274 418 W CB -0.403 29.096 29.460 0.065 0.000 1.138 418 W HN -0.023 nan 8.180 nan 0.000 0.515 419 K N 0.030 120.593 120.400 0.272 0.000 2.097 419 K HA -0.169 4.153 4.320 0.004 0.000 0.206 419 K C 1.892 178.584 176.600 0.153 0.000 1.049 419 K CA 1.860 58.226 56.287 0.132 0.000 0.933 419 K CB -0.265 32.265 32.500 0.051 0.000 0.717 419 K HN -0.014 nan 8.250 nan 0.000 0.442 420 V N 2.351 122.355 119.914 0.151 0.000 2.392 420 V HA -0.205 3.917 4.120 0.004 0.000 0.249 420 V C 1.441 177.618 176.094 0.139 0.000 1.059 420 V CA 2.053 64.425 62.300 0.119 0.000 1.051 420 V CB -0.415 31.466 31.823 0.096 0.000 0.658 420 V HN 0.469 nan 8.190 nan 0.000 0.455 421 E N -0.228 120.090 120.200 0.196 0.000 2.499 421 E HA 0.250 4.602 4.350 0.004 0.000 0.207 421 E C 0.324 177.093 176.600 0.281 0.000 1.034 421 E CA -0.236 56.283 56.400 0.198 0.000 1.098 421 E CB 0.151 29.945 29.700 0.156 0.000 1.148 421 E HN 0.449 nan 8.360 nan 0.000 0.447 422 L N 0.000 121.394 121.223 0.285 0.000 2.949 422 L HA 0.000 4.342 4.340 0.004 0.000 0.249 422 L CA 0.000 55.028 54.840 0.313 0.000 0.813 422 L CB 0.000 42.185 42.059 0.210 0.000 0.961 422 L HN 0.000 nan 8.230 nan 0.000 0.502