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 2zci_1_D DATA FIRST_RESID 15 DATA SEQUENCE TKNKELLNWI ADAVELFQPE AVVFVDGSQA EWDRMAEDLV EAGTLIKLNE DATA SEQUENCE EKRPNSYLAR SNPSDVARVE SRTFICSEKE EDAGPTNNWA PPQAMKDEMS DATA SEQUENCE KHYAGSMKGR TMYVVPFCMG PISDPDPKLG VQLTDSEYVV MSMRIMTRMG DATA SEQUENCE IEALDKIGAN GSFVRCLHSV GAPLEPGQED VAWPCNDTKY ITQFPETKEI DATA SEQUENCE WSYGSGYGGN AILAKKCYAL RIASVMAREE GWMAEHMLIL KLINPEGKAY DATA SEQUENCE HIAAAFPSAC GKTNLAMITP TIPGWTAQVV GDDIAWLKLR EDGLYAVNPE DATA SEQUENCE NGFFGVAPGT NYASNPIAMK TMEPGNTLFT NVALTDDGDI WWEGMDGDAP DATA SEQUENCE AHLIDWMGND WTPESDENAA HPNSRYCVAI DQSPAAAPEF NDWEGVKIDA DATA SEQUENCE ILFGGRRADT VPLVTQTYDW EHGTMVGALL ASXXXXXXXX XXXXTLRHDP DATA SEQUENCE MAMLPFIGYN AGEYLQNWID MGNKGGDKMP SIFLVNWFRR GEDGRFLWPG DATA SEQUENCE FGDNSRVLKW VIDRIEGHVG ADETVVGHTA KAEDLDLDGL DXXIEDVKEA DATA SEQUENCE LTAPAEQWAN DVEDNAEYLT FLGPRVPAEV HSQFDALKAR IS 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 15 T HA 0.000 nan 4.350 nan 0.000 0.228 15 T C 0.000 174.592 174.700 -0.181 0.000 1.109 15 T CA 0.000 62.017 62.100 -0.138 0.000 1.349 15 T CB 0.000 68.734 68.868 -0.224 0.000 0.612 16 K N 1.514 121.869 120.400 -0.076 0.000 1.763 16 K HA 0.883 5.224 4.320 0.036 0.000 0.265 16 K C 0.146 176.773 176.600 0.045 0.000 0.886 16 K CA -0.285 55.983 56.287 -0.031 0.000 0.737 16 K CB 0.038 32.521 32.500 -0.028 0.000 2.312 16 K HN 0.333 nan 8.250 nan 0.000 0.831 17 N N -2.824 115.915 118.700 0.065 0.000 3.553 17 N HA 0.175 4.937 4.740 0.036 0.000 0.366 17 N C -0.750 174.819 175.510 0.097 0.000 1.051 17 N CA 0.198 53.302 53.050 0.090 0.000 0.745 17 N CB -0.260 38.301 38.487 0.124 0.000 3.336 17 N HN 0.580 nan 8.380 nan 0.000 0.477 18 K N -0.729 119.751 120.400 0.134 0.000 3.152 18 K HA 0.203 4.545 4.320 0.036 0.000 0.247 18 K C 0.627 177.320 176.600 0.154 0.000 2.313 18 K CA 0.142 56.501 56.287 0.120 0.000 1.484 18 K CB -0.511 32.039 32.500 0.084 0.000 2.590 18 K HN 0.304 nan 8.250 nan 0.000 0.508 19 E N 1.621 121.918 120.200 0.162 0.000 2.130 19 E HA -0.234 4.137 4.350 0.036 0.000 0.196 19 E C 1.819 178.625 176.600 0.343 0.000 0.998 19 E CA 1.288 57.803 56.400 0.190 0.000 0.806 19 E CB 0.058 29.818 29.700 0.100 0.000 0.738 19 E HN 0.314 nan 8.360 nan 0.000 0.459 20 L N 0.516 121.991 121.223 0.420 0.000 1.970 20 L HA -0.234 4.127 4.340 0.036 0.000 0.212 20 L C 2.607 179.727 176.870 0.416 0.000 1.071 20 L CA 1.349 56.475 54.840 0.477 0.000 0.751 20 L CB -0.286 41.904 42.059 0.218 0.000 0.889 20 L HN 0.293 nan 8.230 nan 0.000 0.432 21 L N -0.418 120.976 121.223 0.284 0.000 2.093 21 L HA -0.213 4.149 4.340 0.036 0.000 0.208 21 L C 2.297 179.287 176.870 0.200 0.000 1.085 21 L CA 0.835 55.816 54.840 0.234 0.000 0.755 21 L CB -0.519 41.640 42.059 0.166 0.000 0.904 21 L HN 0.375 nan 8.230 nan 0.000 0.435 22 N N -0.638 118.185 118.700 0.205 0.000 2.106 22 N HA -0.240 4.521 4.740 0.036 0.000 0.188 22 N C 1.361 177.006 175.510 0.225 0.000 1.029 22 N CA 1.121 54.278 53.050 0.177 0.000 0.848 22 N CB -0.555 38.022 38.487 0.151 0.000 1.007 22 N HN 0.359 nan 8.380 nan 0.000 0.423 23 W N 1.968 123.335 121.300 0.112 0.000 2.290 23 W HA -0.130 4.556 4.660 0.044 0.000 0.311 23 W C 1.844 178.413 176.519 0.082 0.000 1.238 23 W CA 1.395 58.810 57.345 0.116 0.000 1.255 23 W CB -0.529 29.050 29.460 0.198 0.000 1.145 23 W HN 0.023 nan 8.180 nan 0.000 0.506 24 I N -0.010 120.557 120.570 -0.004 0.000 2.235 24 I HA -0.205 3.987 4.170 0.036 0.000 0.241 24 I C 2.642 178.665 176.117 -0.158 0.000 1.085 24 I CA 1.265 62.420 61.300 -0.242 0.000 1.378 24 I CB -1.213 36.719 38.000 -0.112 0.000 1.076 24 I HN 0.016 nan 8.210 nan 0.000 0.415 25 A N 0.563 123.362 122.820 -0.034 0.000 1.948 25 A HA -0.283 4.058 4.320 0.036 0.000 0.220 25 A C 1.939 179.498 177.584 -0.042 0.000 1.177 25 A CA 2.247 54.272 52.037 -0.020 0.000 0.636 25 A CB -0.650 18.363 19.000 0.022 0.000 0.815 25 A HN 0.365 nan 8.150 nan 0.000 0.449 26 D N -0.162 120.211 120.400 -0.045 0.000 2.084 26 D HA -0.055 4.606 4.640 0.036 0.000 0.194 26 D C 2.368 178.590 176.300 -0.130 0.000 0.990 26 D CA 1.662 55.626 54.000 -0.061 0.000 0.826 26 D CB -0.543 40.252 40.800 -0.009 0.000 0.971 26 D HN 0.389 nan 8.370 nan 0.000 0.453 27 A N 0.617 123.302 122.820 -0.224 0.000 1.892 27 A HA -0.184 4.157 4.320 0.036 0.000 0.218 27 A C 2.579 180.158 177.584 -0.009 0.000 1.188 27 A CA 1.682 53.618 52.037 -0.168 0.000 0.631 27 A CB -0.918 17.872 19.000 -0.352 0.000 0.822 27 A HN 0.168 nan 8.150 nan 0.000 0.447 28 V N 0.103 119.971 119.914 -0.077 0.000 2.332 28 V HA -0.256 3.885 4.120 0.036 0.000 0.248 28 V C 2.561 178.636 176.094 -0.031 0.000 1.055 28 V CA 2.157 64.431 62.300 -0.043 0.000 1.038 28 V CB -0.734 31.051 31.823 -0.063 0.000 0.651 28 V HN 0.563 nan 8.190 nan 0.000 0.450 29 E N -0.141 120.027 120.200 -0.052 0.000 2.033 29 E HA -0.273 4.098 4.350 0.036 0.000 0.199 29 E C 2.238 178.793 176.600 -0.075 0.000 1.011 29 E CA 1.905 58.273 56.400 -0.054 0.000 0.815 29 E CB -0.300 29.368 29.700 -0.053 0.000 0.755 29 E HN 0.531 nan 8.360 nan 0.000 0.451 30 L N -0.496 120.645 121.223 -0.137 0.000 2.056 30 L HA -0.139 4.222 4.340 0.036 0.000 0.207 30 L C 2.410 179.135 176.870 -0.243 0.000 1.078 30 L CA 1.099 55.797 54.840 -0.236 0.000 0.749 30 L CB -0.180 41.629 42.059 -0.417 0.000 0.901 30 L HN 0.101 nan 8.230 nan 0.000 0.433 31 F N -0.093 119.767 119.950 -0.150 0.000 2.293 31 F HA -0.074 4.474 4.527 0.035 0.000 0.297 31 F C 1.024 176.763 175.800 -0.103 0.000 1.089 31 F CA 0.274 58.182 58.000 -0.154 0.000 1.377 31 F CB 0.143 38.996 39.000 -0.245 0.000 1.051 31 F HN 0.146 nan 8.300 nan 0.000 0.511 32 Q N 0.162 120.008 119.800 0.076 0.000 2.453 32 Q HA -0.185 4.176 4.340 0.036 0.000 0.330 32 Q C -2.493 173.510 176.000 0.005 0.000 1.417 32 Q CA -0.376 55.442 55.803 0.024 0.000 0.902 32 Q CB -1.833 26.913 28.738 0.014 0.000 1.154 32 Q HN 0.194 nan 8.270 nan 0.000 0.395 33 P HA -0.046 nan 4.420 nan 0.000 0.271 33 P C 0.481 177.735 177.300 -0.077 0.000 1.218 33 P CA 0.120 63.166 63.100 -0.090 0.000 0.780 33 P CB 0.761 32.360 31.700 -0.168 0.000 0.901 34 E N 1.299 121.452 120.200 -0.079 0.000 2.107 34 E HA 0.018 4.389 4.350 0.036 0.000 0.191 34 E C 0.820 177.375 176.600 -0.075 0.000 0.982 34 E CA 1.012 57.376 56.400 -0.061 0.000 0.809 34 E CB -0.169 29.503 29.700 -0.047 0.000 0.756 34 E HN 0.558 nan 8.360 nan 0.000 0.459 35 A N 0.976 123.727 122.820 -0.114 0.000 2.413 35 A HA 0.549 4.891 4.320 0.036 0.000 0.307 35 A C -0.624 176.849 177.584 -0.184 0.000 1.087 35 A CA -0.696 51.268 52.037 -0.123 0.000 0.750 35 A CB 1.900 20.838 19.000 -0.103 0.000 1.296 35 A HN -0.043 nan 8.150 nan 0.000 0.423 36 V N 1.534 121.367 119.914 -0.135 0.000 2.370 36 V HA 0.533 4.675 4.120 0.036 0.000 0.283 36 V C -0.449 175.600 176.094 -0.076 0.000 1.023 36 V CA -0.489 61.720 62.300 -0.151 0.000 0.857 36 V CB 1.080 32.854 31.823 -0.082 0.000 0.985 36 V HN 0.615 nan 8.190 nan 0.000 0.443 37 V N 4.833 124.668 119.914 -0.133 0.000 2.487 37 V HA 0.483 4.625 4.120 0.036 0.000 0.298 37 V C -0.505 175.660 176.094 0.118 0.000 1.028 37 V CA -0.625 61.697 62.300 0.037 0.000 0.860 37 V CB 1.789 33.628 31.823 0.027 0.000 0.991 37 V HN 0.669 nan 8.190 nan 0.000 0.427 38 F N 2.838 122.803 119.950 0.024 0.000 2.427 38 F HA 0.389 4.937 4.527 0.034 0.000 0.352 38 F C 0.524 176.372 175.800 0.080 0.000 1.100 38 F CA -0.108 57.919 58.000 0.044 0.000 1.191 38 F CB 1.489 40.503 39.000 0.023 0.000 1.128 38 F HN 0.216 nan 8.300 nan 0.000 0.533 39 V N 3.742 123.768 119.914 0.187 0.000 2.649 39 V HA 0.036 4.177 4.120 0.036 0.000 0.292 39 V C 0.265 176.448 176.094 0.147 0.000 1.055 39 V CA -0.012 62.379 62.300 0.151 0.000 1.023 39 V CB 1.506 33.384 31.823 0.092 0.000 0.992 39 V HN 0.847 nan 8.190 nan 0.000 0.480 40 D N 1.442 121.911 120.400 0.115 0.000 2.469 40 D HA 0.185 4.846 4.640 0.036 0.000 0.213 40 D C 1.294 177.637 176.300 0.071 0.000 1.135 40 D CA 0.563 54.622 54.000 0.098 0.000 0.834 40 D CB 0.366 41.218 40.800 0.086 0.000 1.009 40 D HN 0.855 nan 8.370 nan 0.000 0.507 41 G N 0.618 109.458 108.800 0.066 0.000 2.166 41 G HA2 -0.307 3.675 3.960 0.036 0.000 0.260 41 G HA3 -0.307 3.675 3.960 0.036 0.000 0.260 41 G C 0.505 175.433 174.900 0.046 0.000 0.986 41 G CA 0.747 45.878 45.100 0.052 0.000 0.683 41 G HN 0.824 nan 8.290 nan 0.000 0.527 42 S N -1.334 114.400 115.700 0.057 0.000 2.634 42 S HA 0.540 5.032 4.470 0.036 0.000 0.261 42 S C 1.098 175.743 174.600 0.074 0.000 1.271 42 S CA 0.512 58.742 58.200 0.050 0.000 0.985 42 S CB 1.525 64.755 63.200 0.050 0.000 0.968 42 S HN 0.291 nan 8.310 nan 0.000 0.568 43 Q N 0.418 120.246 119.800 0.047 0.000 2.269 43 Q HA 0.228 4.589 4.340 0.036 0.000 0.201 43 Q C 2.019 178.099 176.000 0.133 0.000 0.946 43 Q CA 1.491 57.324 55.803 0.050 0.000 0.877 43 Q CB -0.890 27.841 28.738 -0.012 0.000 0.963 43 Q HN 0.880 nan 8.270 nan 0.000 0.472 44 A N 0.316 123.195 122.820 0.098 0.000 1.930 44 A HA -0.173 4.169 4.320 0.036 0.000 0.217 44 A C 1.988 179.638 177.584 0.110 0.000 1.175 44 A CA 1.545 53.642 52.037 0.099 0.000 0.627 44 A CB -0.542 18.499 19.000 0.068 0.000 0.815 44 A HN 0.563 nan 8.150 nan 0.000 0.443 45 E N -1.002 119.265 120.200 0.111 0.000 2.046 45 E HA -0.188 4.184 4.350 0.036 0.000 0.190 45 E C 1.907 178.569 176.600 0.104 0.000 0.982 45 E CA 1.004 57.457 56.400 0.088 0.000 0.800 45 E CB -0.399 29.348 29.700 0.078 0.000 0.756 45 E HN 0.772 nan 8.360 nan 0.000 0.449 46 W N 2.379 123.649 121.300 -0.050 0.000 2.338 46 W HA -0.217 4.464 4.660 0.035 0.000 0.304 46 W C 1.096 177.580 176.519 -0.059 0.000 1.212 46 W CA 1.878 59.181 57.345 -0.071 0.000 1.264 46 W CB -0.457 28.972 29.460 -0.051 0.000 1.142 46 W HN 0.137 nan 8.180 nan 0.000 0.512 47 D N -0.089 120.506 120.400 0.324 0.000 2.117 47 D HA -0.169 4.492 4.640 0.036 0.000 0.197 47 D C 2.320 178.630 176.300 0.017 0.000 0.987 47 D CA 1.403 55.530 54.000 0.213 0.000 0.829 47 D CB -0.401 40.539 40.800 0.234 0.000 0.961 47 D HN 0.220 nan 8.370 nan 0.000 0.460 48 R N -0.266 120.239 120.500 0.007 0.000 2.073 48 R HA 0.041 4.403 4.340 0.036 0.000 0.229 48 R C 2.393 178.633 176.300 -0.100 0.000 1.120 48 R CA 0.623 56.711 56.100 -0.020 0.000 0.967 48 R CB -0.052 30.252 30.300 0.008 0.000 0.862 48 R HN 0.183 nan 8.270 nan 0.000 0.436 49 M N -0.461 119.028 119.600 -0.185 0.000 2.086 49 M HA -0.119 4.382 4.480 0.036 0.000 0.261 49 M C 2.440 178.498 176.300 -0.404 0.000 1.067 49 M CA 1.781 56.903 55.300 -0.298 0.000 1.116 49 M CB -0.237 32.132 32.600 -0.385 0.000 1.348 49 M HN 0.207 nan 8.290 nan 0.000 0.407 50 A N -0.179 122.287 122.820 -0.591 0.000 1.940 50 A HA -0.195 4.147 4.320 0.036 0.000 0.219 50 A C 1.992 179.381 177.584 -0.325 0.000 1.176 50 A CA 1.897 53.482 52.037 -0.754 0.000 0.631 50 A CB -0.588 17.748 19.000 -1.107 0.000 0.814 50 A HN 0.378 nan 8.150 nan 0.000 0.446 51 E N 0.366 120.478 120.200 -0.147 0.000 2.152 51 E HA -0.120 4.252 4.350 0.036 0.000 0.192 51 E C 1.334 177.908 176.600 -0.044 0.000 0.983 51 E CA 1.110 57.492 56.400 -0.031 0.000 0.818 51 E CB -0.312 29.395 29.700 0.013 0.000 0.758 51 E HN 0.521 nan 8.360 nan 0.000 0.467 52 D N -0.415 119.933 120.400 -0.087 0.000 2.117 52 D HA -0.086 4.576 4.640 0.036 0.000 0.198 52 D C 1.937 178.202 176.300 -0.059 0.000 0.982 52 D CA 0.718 54.683 54.000 -0.060 0.000 0.828 52 D CB -0.027 40.732 40.800 -0.068 0.000 0.967 52 D HN 0.235 nan 8.370 nan 0.000 0.464 53 L N 0.076 121.232 121.223 -0.112 0.000 2.131 53 L HA -0.070 4.291 4.340 0.036 0.000 0.206 53 L C 2.433 179.294 176.870 -0.016 0.000 1.087 53 L CA 0.404 55.193 54.840 -0.085 0.000 0.767 53 L CB -0.241 41.726 42.059 -0.152 0.000 0.917 53 L HN -0.059 nan 8.230 nan 0.000 0.441 54 V N -0.020 119.892 119.914 -0.003 0.000 2.427 54 V HA -0.250 3.892 4.120 0.036 0.000 0.248 54 V C 2.307 178.440 176.094 0.065 0.000 1.051 54 V CA 1.634 63.983 62.300 0.082 0.000 1.048 54 V CB -0.486 31.422 31.823 0.142 0.000 0.666 54 V HN 0.439 nan 8.190 nan 0.000 0.456 55 E N 0.437 120.661 120.200 0.040 0.000 2.118 55 E HA -0.190 4.181 4.350 0.036 0.000 0.195 55 E C 2.202 178.823 176.600 0.035 0.000 0.992 55 E CA 1.369 57.791 56.400 0.036 0.000 0.804 55 E CB -0.305 29.409 29.700 0.024 0.000 0.741 55 E HN 0.607 nan 8.360 nan 0.000 0.458 56 A N -0.146 122.691 122.820 0.029 0.000 2.167 56 A HA 0.164 4.505 4.320 0.036 0.000 0.214 56 A C 1.885 179.500 177.584 0.051 0.000 1.151 56 A CA 1.029 53.085 52.037 0.032 0.000 0.735 56 A CB -0.324 18.687 19.000 0.017 0.000 0.802 56 A HN 0.375 nan 8.150 nan 0.000 0.467 57 G N -1.979 106.859 108.800 0.064 0.000 2.179 57 G HA2 -0.343 3.638 3.960 0.036 0.000 0.260 57 G HA3 -0.343 3.638 3.960 0.036 0.000 0.260 57 G C 1.056 176.026 174.900 0.117 0.000 0.977 57 G CA 1.207 46.359 45.100 0.088 0.000 0.641 57 G HN 0.502 nan 8.290 nan 0.000 0.533 58 T N 0.404 115.024 114.554 0.110 0.000 2.652 58 T HA 0.072 4.443 4.350 0.036 0.000 0.267 58 T C 1.328 176.148 174.700 0.200 0.000 1.039 58 T CA 1.366 63.562 62.100 0.160 0.000 1.153 58 T CB 0.008 68.932 68.868 0.092 0.000 0.863 58 T HN 0.423 nan 8.240 nan 0.000 0.428 59 L N 0.359 121.678 121.223 0.160 0.000 2.334 59 L HA 0.573 4.935 4.340 0.036 0.000 0.272 59 L C -0.593 176.416 176.870 0.233 0.000 1.020 59 L CA -0.979 53.990 54.840 0.215 0.000 0.812 59 L CB 1.720 43.873 42.059 0.156 0.000 1.264 59 L HN 0.101 nan 8.230 nan 0.000 0.439 60 I N 1.824 122.557 120.570 0.272 0.000 2.412 60 I HA 0.249 4.440 4.170 0.036 0.000 0.296 60 I C 0.048 176.331 176.117 0.278 0.000 0.987 60 I CA -0.368 61.072 61.300 0.233 0.000 1.180 60 I CB 1.685 39.793 38.000 0.179 0.000 1.340 60 I HN 0.462 nan 8.210 nan 0.000 0.455 61 K N 6.389 126.904 120.400 0.191 0.000 2.276 61 K HA 0.437 4.778 4.320 0.036 0.000 0.283 61 K C -0.578 176.008 176.600 -0.023 0.000 1.044 61 K CA -0.484 55.792 56.287 -0.018 0.000 0.944 61 K CB 0.682 33.154 32.500 -0.047 0.000 1.012 61 K HN 0.517 nan 8.250 nan 0.000 0.472 62 L N 2.850 124.031 121.223 -0.070 0.000 2.472 62 L HA 0.034 4.395 4.340 0.036 0.000 0.260 62 L C 0.643 177.510 176.870 -0.004 0.000 1.209 62 L CA -0.402 54.447 54.840 0.014 0.000 0.817 62 L CB 0.169 42.280 42.059 0.086 0.000 1.106 62 L HN 0.744 nan 8.230 nan 0.000 0.479 63 N N 1.444 120.156 118.700 0.020 0.000 2.411 63 N HA -0.099 4.663 4.740 0.036 0.000 0.282 63 N C 1.053 176.570 175.510 0.012 0.000 1.322 63 N CA 0.091 53.151 53.050 0.018 0.000 0.943 63 N CB 0.437 38.937 38.487 0.021 0.000 1.266 63 N HN 0.443 nan 8.380 nan 0.000 0.486 64 E N 2.266 122.468 120.200 0.003 0.000 2.492 64 E HA -0.247 4.125 4.350 0.036 0.000 0.204 64 E C 0.319 176.928 176.600 0.015 0.000 1.073 64 E CA 0.910 57.310 56.400 -0.000 0.000 0.887 64 E CB -0.005 29.695 29.700 0.001 0.000 0.813 64 E HN 0.824 nan 8.360 nan 0.000 0.562 65 E N -0.099 120.113 120.200 0.019 0.000 2.541 65 E HA 0.027 4.399 4.350 0.036 0.000 0.219 65 E C 1.456 178.071 176.600 0.025 0.000 0.922 65 E CA -0.075 56.338 56.400 0.022 0.000 1.095 65 E CB 0.467 30.178 29.700 0.019 0.000 1.112 65 E HN -0.100 nan 8.360 nan 0.000 0.516 66 K N 0.215 120.631 120.400 0.027 0.000 2.128 66 K HA 0.151 4.492 4.320 0.036 0.000 0.202 66 K C 0.037 176.669 176.600 0.053 0.000 1.050 66 K CA 0.718 57.025 56.287 0.033 0.000 0.966 66 K CB 0.618 33.133 32.500 0.024 0.000 0.759 66 K HN -0.186 nan 8.250 nan 0.000 0.454 67 R N 0.642 121.179 120.500 0.062 0.000 2.576 67 R HA 0.346 4.708 4.340 0.036 0.000 0.283 67 R C -2.831 173.512 176.300 0.070 0.000 1.493 67 R CA -2.659 53.502 56.100 0.101 0.000 1.170 67 R CB 0.752 31.156 30.300 0.173 0.000 1.189 67 R HN 0.006 nan 8.270 nan 0.000 0.542 68 P HA 0.037 nan 4.420 nan 0.000 0.268 68 P C 0.291 177.617 177.300 0.043 0.000 1.205 68 P CA -0.112 63.011 63.100 0.038 0.000 0.771 68 P CB 0.509 32.233 31.700 0.040 0.000 0.858 69 N N 0.349 119.067 118.700 0.031 0.000 2.701 69 N HA -0.196 4.565 4.740 0.036 0.000 0.250 69 N C -1.077 174.516 175.510 0.137 0.000 1.046 69 N CA 0.913 54.030 53.050 0.112 0.000 0.733 69 N CB -1.169 37.421 38.487 0.171 0.000 0.973 69 N HN 0.244 nan 8.380 nan 0.000 0.541 70 S N 0.165 115.846 115.700 -0.030 0.000 2.537 70 S HA 0.690 5.181 4.470 0.036 0.000 0.301 70 S C -0.845 173.647 174.600 -0.180 0.000 1.092 70 S CA -0.498 57.742 58.200 0.065 0.000 1.048 70 S CB 1.293 64.626 63.200 0.222 0.000 1.053 70 S HN 0.272 nan 8.310 nan 0.000 0.501 71 Y N 0.730 121.191 120.300 0.268 0.000 2.492 71 Y HA 0.551 5.123 4.550 0.036 0.000 0.346 71 Y C -0.704 175.389 175.900 0.321 0.000 0.997 71 Y CA -1.043 57.201 58.100 0.240 0.000 1.025 71 Y CB 1.325 39.870 38.460 0.143 0.000 1.263 71 Y HN 0.488 nan 8.280 nan 0.000 0.454 72 L N 3.212 124.706 121.223 0.451 0.000 2.272 72 L HA 0.884 5.245 4.340 0.036 0.000 0.289 72 L C -0.493 176.594 176.870 0.363 0.000 1.032 72 L CA -0.539 54.545 54.840 0.406 0.000 0.810 72 L CB 0.514 42.760 42.059 0.313 0.000 1.205 72 L HN 0.688 nan 8.230 nan 0.000 0.422 73 A N 5.902 128.954 122.820 0.387 0.000 2.305 73 A HA 0.806 5.147 4.320 0.036 0.000 0.322 73 A C -0.289 177.436 177.584 0.236 0.000 1.187 73 A CA -0.648 51.614 52.037 0.374 0.000 0.825 73 A CB 0.573 19.902 19.000 0.550 0.000 1.164 73 A HN 0.771 nan 8.150 nan 0.000 0.498 74 R N 1.424 122.026 120.500 0.171 0.000 2.393 74 R HA 0.465 4.827 4.340 0.036 0.000 0.315 74 R C -0.202 175.918 176.300 -0.300 0.000 0.952 74 R CA -0.261 55.862 56.100 0.037 0.000 0.842 74 R CB 1.957 32.325 30.300 0.113 0.000 1.163 74 R HN 0.895 nan 8.270 nan 0.000 0.450 75 S N 1.734 117.009 115.700 -0.708 0.000 2.632 75 S HA 0.164 4.656 4.470 0.036 0.000 0.271 75 S C 0.139 174.323 174.600 -0.693 0.000 1.260 75 S CA -0.932 56.315 58.200 -1.588 0.000 1.010 75 S CB 1.140 63.316 63.200 -1.708 0.000 0.965 75 S HN 0.598 nan 8.310 nan 0.000 0.534 76 N N 1.543 119.829 118.700 -0.690 0.000 2.454 76 N HA 0.213 4.974 4.740 0.036 0.000 0.260 76 N C -1.869 173.572 175.510 -0.115 0.000 1.218 76 N CA -1.595 51.359 53.050 -0.159 0.000 0.904 76 N CB 0.579 39.118 38.487 0.086 0.000 1.065 76 N HN 0.267 nan 8.380 nan 0.000 0.462 77 P HA -0.100 nan 4.420 nan 0.000 0.219 77 P C -0.582 176.737 177.300 0.033 0.000 1.146 77 P CA 1.073 64.240 63.100 0.111 0.000 0.808 77 P CB 0.058 31.779 31.700 0.035 0.000 0.779 78 S N 0.236 115.941 115.700 0.008 0.000 2.701 78 S HA 0.318 4.810 4.470 0.036 0.000 0.317 78 S C 0.071 174.668 174.600 -0.006 0.000 1.149 78 S CA -0.166 58.035 58.200 0.001 0.000 1.052 78 S CB -0.377 62.836 63.200 0.022 0.000 1.257 78 S HN 0.054 nan 8.310 nan 0.000 0.532 79 D N 0.728 121.082 120.400 -0.077 0.000 4.436 79 D HA -0.138 4.524 4.640 0.036 0.000 0.096 79 D C 0.355 176.399 176.300 -0.426 0.000 0.396 79 D CA 0.542 54.501 54.000 -0.068 0.000 0.574 79 D CB -1.066 39.810 40.800 0.127 0.000 1.640 79 D HN 0.461 nan 8.370 nan 0.000 0.026 80 V N -1.599 117.969 119.914 -0.577 0.000 3.596 80 V HA 0.888 5.030 4.120 0.036 0.000 0.289 80 V C 0.812 176.223 176.094 -1.137 0.000 1.336 80 V CA 0.825 62.419 62.300 -1.177 0.000 1.137 80 V CB -0.037 31.077 31.823 -1.182 0.000 0.966 80 V HN 0.495 nan 8.190 nan 0.000 0.428 81 A N -0.274 122.250 122.820 -0.494 0.000 2.515 81 A HA 0.660 5.002 4.320 0.036 0.000 0.292 81 A C -0.431 177.261 177.584 0.180 0.000 1.065 81 A CA -1.156 50.884 52.037 0.005 0.000 0.641 81 A CB 0.757 19.755 19.000 -0.002 0.000 1.306 81 A HN 0.256 nan 8.150 nan 0.000 0.441 82 R N -0.512 120.122 120.500 0.224 0.000 2.640 82 R HA 0.343 4.704 4.340 0.036 0.000 0.270 82 R C -0.527 175.835 176.300 0.103 0.000 1.024 82 R CA 0.584 56.793 56.100 0.182 0.000 1.085 82 R CB 0.237 30.658 30.300 0.201 0.000 0.963 82 R HN 0.861 nan 8.270 nan 0.000 0.426 83 V N 0.512 120.474 119.914 0.080 0.000 2.385 83 V HA 0.166 4.308 4.120 0.036 0.000 0.277 83 V C 0.711 176.800 176.094 -0.008 0.000 1.012 83 V CA -0.803 61.516 62.300 0.032 0.000 0.832 83 V CB 1.400 33.241 31.823 0.030 0.000 1.028 83 V HN 0.754 nan 8.190 nan 0.000 0.436 84 E N 2.808 122.991 120.200 -0.028 0.000 2.110 84 E HA -0.195 4.176 4.350 0.036 0.000 0.193 84 E C 2.152 178.677 176.600 -0.125 0.000 0.988 84 E CA 1.646 58.004 56.400 -0.071 0.000 0.804 84 E CB -0.317 29.345 29.700 -0.064 0.000 0.745 84 E HN 0.922 nan 8.360 nan 0.000 0.458 85 S N 0.630 116.275 115.700 -0.093 0.000 2.469 85 S HA -0.052 4.439 4.470 0.036 0.000 0.238 85 S C 1.541 176.030 174.600 -0.185 0.000 0.998 85 S CA 0.606 58.745 58.200 -0.100 0.000 0.957 85 S CB 0.042 63.221 63.200 -0.035 0.000 0.764 85 S HN 0.013 nan 8.310 nan 0.000 0.514 86 R N 1.300 121.677 120.500 -0.205 0.000 2.662 86 R HA 0.329 4.691 4.340 0.036 0.000 0.396 86 R C -0.747 175.344 176.300 -0.348 0.000 1.096 86 R CA -0.023 55.940 56.100 -0.228 0.000 1.081 86 R CB 0.166 30.495 30.300 0.047 0.000 1.382 86 R HN 0.301 nan 8.270 nan 0.000 0.580 87 T N 1.253 115.512 114.554 -0.491 0.000 2.767 87 T HA 0.554 4.925 4.350 0.036 0.000 0.284 87 T C -0.432 173.903 174.700 -0.608 0.000 0.973 87 T CA -0.028 61.880 62.100 -0.320 0.000 0.996 87 T CB 0.747 69.556 68.868 -0.099 0.000 0.927 87 T HN -0.067 nan 8.240 nan 0.000 0.456 88 F N 2.665 122.615 119.950 -0.001 0.000 2.518 88 F HA 0.477 5.025 4.527 0.035 0.000 0.323 88 F C 0.143 175.870 175.800 -0.121 0.000 1.129 88 F CA -1.295 56.653 58.000 -0.086 0.000 0.920 88 F CB 1.329 40.214 39.000 -0.192 0.000 1.160 88 F HN 0.293 nan 8.300 nan 0.000 0.440 89 I N 3.221 123.836 120.570 0.075 0.000 2.256 89 I HA 0.072 4.263 4.170 0.036 0.000 0.294 89 I C -0.085 176.031 176.117 -0.003 0.000 1.127 89 I CA -0.158 61.172 61.300 0.049 0.000 1.247 89 I CB 0.360 38.435 38.000 0.126 0.000 1.460 89 I HN 0.647 nan 8.210 nan 0.000 0.511 90 C N 5.458 124.614 119.300 -0.239 0.000 3.424 90 C HA 0.117 4.598 4.460 0.036 0.000 0.577 90 C C 1.610 176.567 174.990 -0.055 0.000 1.086 90 C CA -0.378 58.428 59.018 -0.355 0.000 1.153 90 C CB -2.162 25.174 27.740 -0.673 0.000 1.411 90 C HN 0.796 nan 8.230 nan 0.000 0.636 91 S N 0.329 116.143 115.700 0.191 0.000 2.634 91 S HA 0.206 4.698 4.470 0.036 0.000 0.261 91 S C 1.105 175.927 174.600 0.371 0.000 1.271 91 S CA -0.291 58.068 58.200 0.264 0.000 0.985 91 S CB 1.110 64.479 63.200 0.282 0.000 0.968 91 S HN 0.574 nan 8.310 nan 0.000 0.568 92 E N 0.714 121.066 120.200 0.254 0.000 2.072 92 E HA 0.026 4.398 4.350 0.036 0.000 0.190 92 E C -0.006 176.780 176.600 0.310 0.000 0.982 92 E CA 1.062 57.597 56.400 0.226 0.000 0.803 92 E CB 0.007 29.778 29.700 0.118 0.000 0.755 92 E HN 0.593 nan 8.360 nan 0.000 0.453 93 K N 0.907 121.428 120.400 0.202 0.000 2.270 93 K HA 0.109 4.451 4.320 0.036 0.000 0.255 93 K C 0.835 177.188 176.600 -0.411 0.000 0.936 93 K CA -0.410 55.862 56.287 -0.024 0.000 0.809 93 K CB 2.068 34.525 32.500 -0.070 0.000 1.131 93 K HN -0.195 nan 8.250 nan 0.000 0.427 94 E N 3.265 122.747 120.200 -1.196 0.000 2.136 94 E HA -0.303 4.068 4.350 0.036 0.000 0.208 94 E C 1.164 177.319 176.600 -0.741 0.000 1.035 94 E CA 2.090 57.455 56.400 -1.726 0.000 0.838 94 E CB 0.324 29.267 29.700 -1.262 0.000 0.748 94 E HN 0.755 nan 8.360 nan 0.000 0.459 95 E N 0.068 120.017 120.200 -0.418 0.000 2.204 95 E HA -0.174 4.197 4.350 0.036 0.000 0.194 95 E C 1.384 177.904 176.600 -0.133 0.000 0.989 95 E CA 1.064 57.323 56.400 -0.235 0.000 0.824 95 E CB -0.311 29.289 29.700 -0.165 0.000 0.756 95 E HN 0.275 nan 8.360 nan 0.000 0.477 96 D N 1.565 121.910 120.400 -0.091 0.000 2.224 96 D HA -0.003 4.658 4.640 0.036 0.000 0.205 96 D C 1.893 178.242 176.300 0.082 0.000 0.965 96 D CA 1.412 55.428 54.000 0.026 0.000 0.852 96 D CB -0.033 40.803 40.800 0.060 0.000 0.947 96 D HN 0.333 nan 8.370 nan 0.000 0.494 97 A N 0.758 123.619 122.820 0.068 0.000 1.898 97 A HA 0.274 4.616 4.320 0.036 0.000 0.216 97 A C 1.529 179.116 177.584 0.006 0.000 1.181 97 A CA 1.657 53.769 52.037 0.124 0.000 0.620 97 A CB -0.784 18.407 19.000 0.318 0.000 0.819 97 A HN 0.349 nan 8.150 nan 0.000 0.442 98 G N -1.163 107.591 108.800 -0.077 0.000 2.749 98 G HA2 -0.209 3.773 3.960 0.036 0.000 0.242 98 G HA3 -0.209 3.773 3.960 0.036 0.000 0.242 98 G C -1.035 173.783 174.900 -0.137 0.000 1.364 98 G CA 0.041 45.063 45.100 -0.128 0.000 0.888 98 G HN 0.357 nan 8.290 nan 0.000 0.566 99 P HA -0.035 nan 4.420 nan 0.000 0.225 99 P C 1.750 178.957 177.300 -0.154 0.000 1.156 99 P CA 2.471 65.397 63.100 -0.290 0.000 0.787 99 P CB -0.212 31.039 31.700 -0.748 0.000 0.802 100 T N -4.323 110.139 114.554 -0.154 0.000 3.088 100 T HA 0.077 4.449 4.350 0.036 0.000 0.259 100 T C 0.696 175.382 174.700 -0.025 0.000 1.122 100 T CA 0.015 62.093 62.100 -0.037 0.000 1.095 100 T CB -0.728 68.095 68.868 -0.074 0.000 0.930 100 T HN 0.130 nan 8.240 nan 0.000 0.508 101 N N 1.248 119.937 118.700 -0.018 0.000 2.362 101 N HA 0.429 5.191 4.740 0.036 0.000 0.299 101 N C -1.185 174.362 175.510 0.061 0.000 1.170 101 N CA -1.007 52.050 53.050 0.012 0.000 0.825 101 N CB 0.967 39.478 38.487 0.040 0.000 1.299 101 N HN 0.039 nan 8.380 nan 0.000 0.502 102 N N 0.468 119.191 118.700 0.038 0.000 2.530 102 N HA 0.223 4.984 4.740 0.036 0.000 0.277 102 N C -1.239 174.413 175.510 0.236 0.000 1.168 102 N CA -0.107 52.995 53.050 0.086 0.000 0.979 102 N CB 1.022 39.446 38.487 -0.105 0.000 1.141 102 N HN 0.521 nan 8.380 nan 0.000 0.459 103 W N 0.885 122.265 121.300 0.134 0.000 2.864 103 W HA 0.696 5.376 4.660 0.033 0.000 0.343 103 W C -1.358 175.296 176.519 0.224 0.000 1.109 103 W CA -0.462 56.973 57.345 0.150 0.000 1.192 103 W CB 1.276 30.773 29.460 0.063 0.000 1.426 103 W HN 0.601 nan 8.180 nan 0.000 0.529 104 A N 4.106 126.329 122.820 -0.996 0.000 2.608 104 A HA 0.670 5.012 4.320 0.036 0.000 0.292 104 A C -3.020 173.602 177.584 -1.604 0.000 1.066 104 A CA -1.377 49.973 52.037 -1.145 0.000 0.676 104 A CB 1.195 19.794 19.000 -0.668 0.000 1.277 104 A HN 0.317 nan 8.150 nan 0.000 0.413 105 P HA 0.280 nan 4.420 nan 0.000 0.271 105 P C -2.032 175.032 177.300 -0.394 0.000 1.233 105 P CA -0.983 61.739 63.100 -0.630 0.000 0.764 105 P CB 0.524 32.077 31.700 -0.245 0.000 0.825 106 P HA -0.259 nan 4.420 nan 0.000 0.216 106 P C 1.203 178.499 177.300 -0.007 0.000 1.157 106 P CA 1.848 64.945 63.100 -0.006 0.000 0.880 106 P CB -0.100 31.657 31.700 0.095 0.000 0.791 107 Q N -0.525 119.228 119.800 -0.077 0.000 2.123 107 Q HA 0.025 4.387 4.340 0.036 0.000 0.199 107 Q C 2.209 178.142 176.000 -0.110 0.000 0.966 107 Q CA 1.664 57.408 55.803 -0.098 0.000 0.845 107 Q CB -1.481 27.217 28.738 -0.067 0.000 0.907 107 Q HN 0.157 nan 8.270 nan 0.000 0.439 108 A N 0.523 123.266 122.820 -0.129 0.000 1.929 108 A HA -0.071 4.271 4.320 0.036 0.000 0.216 108 A C 1.988 179.452 177.584 -0.200 0.000 1.176 108 A CA 1.263 53.211 52.037 -0.148 0.000 0.628 108 A CB -0.312 18.594 19.000 -0.158 0.000 0.816 108 A HN 0.221 nan 8.150 nan 0.000 0.444 109 M N -0.045 119.408 119.600 -0.245 0.000 2.098 109 M HA -0.061 4.441 4.480 0.036 0.000 0.262 109 M C 1.896 178.097 176.300 -0.164 0.000 1.072 109 M CA 1.433 56.547 55.300 -0.310 0.000 1.133 109 M CB -1.319 31.012 32.600 -0.448 0.000 1.344 109 M HN 0.375 nan 8.290 nan 0.000 0.414 110 K N 0.259 120.592 120.400 -0.112 0.000 2.097 110 K HA -0.244 4.098 4.320 0.036 0.000 0.214 110 K C 1.565 178.183 176.600 0.030 0.000 1.052 110 K CA 1.927 58.130 56.287 -0.140 0.000 0.932 110 K CB -0.316 32.000 32.500 -0.307 0.000 0.716 110 K HN 0.344 nan 8.250 nan 0.000 0.455 111 D N -0.225 120.139 120.400 -0.061 0.000 2.162 111 D HA -0.112 4.549 4.640 0.036 0.000 0.203 111 D C 1.905 178.142 176.300 -0.104 0.000 0.967 111 D CA 0.954 54.917 54.000 -0.061 0.000 0.840 111 D CB 0.004 40.759 40.800 -0.075 0.000 0.972 111 D HN 0.259 nan 8.370 nan 0.000 0.482 112 E N 0.398 120.506 120.200 -0.153 0.000 2.107 112 E HA -0.059 4.312 4.350 0.036 0.000 0.191 112 E C 2.052 178.521 176.600 -0.218 0.000 0.982 112 E CA 0.793 57.079 56.400 -0.190 0.000 0.809 112 E CB -0.110 29.456 29.700 -0.223 0.000 0.756 112 E HN 0.121 nan 8.360 nan 0.000 0.459 113 M N 0.252 119.692 119.600 -0.266 0.000 2.117 113 M HA -0.107 4.394 4.480 0.036 0.000 0.262 113 M C 2.253 178.292 176.300 -0.435 0.000 1.065 113 M CA 1.641 56.704 55.300 -0.395 0.000 1.114 113 M CB -0.356 32.112 32.600 -0.220 0.000 1.361 113 M HN 0.082 nan 8.290 nan 0.000 0.408 114 S N 0.682 116.308 115.700 -0.124 0.000 2.419 114 S HA -0.111 4.380 4.470 0.036 0.000 0.233 114 S C 1.723 176.246 174.600 -0.129 0.000 1.016 114 S CA 1.081 59.247 58.200 -0.057 0.000 0.974 114 S CB -0.330 62.877 63.200 0.012 0.000 0.786 114 S HN 0.454 nan 8.310 nan 0.000 0.492 115 K N 0.462 120.741 120.400 -0.203 0.000 2.097 115 K HA -0.070 4.272 4.320 0.036 0.000 0.206 115 K C 1.980 178.388 176.600 -0.322 0.000 1.049 115 K CA 1.177 57.302 56.287 -0.270 0.000 0.933 115 K CB -0.191 32.099 32.500 -0.351 0.000 0.717 115 K HN 0.465 nan 8.250 nan 0.000 0.442 116 H N -0.677 118.231 119.070 -0.271 0.000 2.384 116 H HA -0.007 4.570 4.556 0.036 0.000 0.300 116 H C 1.980 177.218 175.328 -0.151 0.000 1.057 116 H CA 1.027 56.844 56.048 -0.386 0.000 1.370 116 H CB -0.192 28.976 29.762 -0.990 0.000 1.417 116 H HN 0.304 nan 8.280 nan 0.000 0.527 117 Y N 1.510 121.713 120.300 -0.161 0.000 2.070 117 Y HA -0.125 4.446 4.550 0.035 0.000 0.280 117 Y C 1.708 177.470 175.900 -0.230 0.000 1.148 117 Y CA 0.094 58.066 58.100 -0.213 0.000 1.125 117 Y CB -0.185 37.956 38.460 -0.532 0.000 0.975 117 Y HN 0.074 nan 8.280 nan 0.000 0.492 118 A N 1.191 123.964 122.820 -0.080 0.000 2.498 118 A HA 0.063 4.405 4.320 0.036 0.000 0.287 118 A C 1.492 179.074 177.584 -0.003 0.000 1.000 118 A CA 1.071 53.061 52.037 -0.078 0.000 1.036 118 A CB -1.461 17.495 19.000 -0.074 0.000 0.842 118 A HN 0.985 nan 8.150 nan 0.000 0.474 119 G N 1.810 110.614 108.800 0.005 0.000 2.168 119 G HA2 -0.308 3.673 3.960 0.036 0.000 0.263 119 G HA3 -0.308 3.673 3.960 0.036 0.000 0.263 119 G C 1.343 176.313 174.900 0.117 0.000 0.977 119 G CA 1.257 46.390 45.100 0.055 0.000 0.659 119 G HN 2.164 nan 8.290 nan 0.000 0.533 120 S N -0.714 115.109 115.700 0.204 0.000 2.382 120 S HA 0.053 4.545 4.470 0.036 0.000 0.228 120 S C 2.013 176.717 174.600 0.173 0.000 1.027 120 S CA 1.638 60.001 58.200 0.272 0.000 0.991 120 S CB -0.189 63.303 63.200 0.486 0.000 0.823 120 S HN 0.450 nan 8.310 nan 0.000 0.469 121 M N 1.237 120.940 119.600 0.172 0.000 2.505 121 M HA 0.254 4.755 4.480 0.036 0.000 0.230 121 M C 0.363 176.667 176.300 0.006 0.000 1.153 121 M CA -0.157 55.162 55.300 0.032 0.000 0.997 121 M CB 0.023 32.589 32.600 -0.056 0.000 1.606 121 M HN 0.237 nan 8.290 nan 0.000 0.481 122 K N 0.439 120.861 120.400 0.036 0.000 2.485 122 K HA 0.121 4.462 4.320 0.036 0.000 0.277 122 K C 0.989 177.589 176.600 -0.000 0.000 0.990 122 K CA 1.421 57.718 56.287 0.016 0.000 0.994 122 K CB 0.169 32.687 32.500 0.029 0.000 0.906 122 K HN 0.323 nan 8.250 nan 0.000 0.488 123 G N 2.627 111.421 108.800 -0.011 0.000 2.162 123 G HA2 -0.284 3.698 3.960 0.036 0.000 0.260 123 G HA3 -0.284 3.698 3.960 0.036 0.000 0.260 123 G C -0.269 174.614 174.900 -0.027 0.000 0.976 123 G CA 0.504 45.596 45.100 -0.014 0.000 0.655 123 G HN 0.659 nan 8.290 nan 0.000 0.533 124 R N -0.702 119.769 120.500 -0.048 0.000 2.774 124 R HA 0.550 4.912 4.340 0.036 0.000 0.272 124 R C -0.669 175.548 176.300 -0.138 0.000 1.000 124 R CA -0.634 55.421 56.100 -0.075 0.000 0.906 124 R CB 1.186 31.441 30.300 -0.075 0.000 1.227 124 R HN 0.117 nan 8.270 nan 0.000 0.468 125 T N 2.617 117.056 114.554 -0.192 0.000 2.869 125 T HA 0.226 4.598 4.350 0.036 0.000 0.295 125 T C 0.230 174.593 174.700 -0.562 0.000 0.987 125 T CA -0.144 61.716 62.100 -0.400 0.000 1.109 125 T CB 0.603 69.155 68.868 -0.527 0.000 0.932 125 T HN 0.368 nan 8.240 nan 0.000 0.518 126 M N 4.005 123.267 119.600 -0.564 0.000 2.209 126 M HA 0.463 4.965 4.480 0.036 0.000 0.355 126 M C -1.786 174.106 176.300 -0.680 0.000 1.171 126 M CA -0.640 54.339 55.300 -0.535 0.000 1.069 126 M CB 0.693 33.035 32.600 -0.431 0.000 1.622 126 M HN 0.578 nan 8.290 nan 0.000 0.459 127 Y N 3.102 123.288 120.300 -0.191 0.000 2.360 127 Y HA 0.507 5.078 4.550 0.035 0.000 0.337 127 Y C -0.333 175.438 175.900 -0.216 0.000 1.039 127 Y CA -0.821 57.184 58.100 -0.159 0.000 1.109 127 Y CB 1.889 40.282 38.460 -0.112 0.000 1.201 127 Y HN 0.403 nan 8.280 nan 0.000 0.458 128 V N 4.813 124.621 119.914 -0.176 0.000 2.318 128 V HA 0.249 4.390 4.120 0.036 0.000 0.271 128 V C -0.525 175.471 176.094 -0.164 0.000 1.030 128 V CA -0.754 61.346 62.300 -0.333 0.000 0.844 128 V CB 0.705 31.957 31.823 -0.953 0.000 1.015 128 V HN 0.523 nan 8.190 nan 0.000 0.460 129 V N 8.056 127.971 119.914 0.001 0.000 2.275 129 V HA 0.333 4.474 4.120 0.036 0.000 0.272 129 V C -2.438 173.788 176.094 0.219 0.000 1.028 129 V CA -1.874 60.491 62.300 0.108 0.000 0.810 129 V CB 1.261 33.151 31.823 0.112 0.000 1.043 129 V HN 0.692 nan 8.190 nan 0.000 0.453 130 P HA 0.518 nan 4.420 nan 0.000 0.286 130 P C -0.844 176.581 177.300 0.209 0.000 1.269 130 P CA -0.134 63.019 63.100 0.089 0.000 0.787 130 P CB 0.589 32.311 31.700 0.037 0.000 0.920 131 F N 1.024 120.996 119.950 0.038 0.000 2.662 131 F HA 0.773 5.323 4.527 0.038 0.000 0.312 131 F C -1.541 174.281 175.800 0.038 0.000 1.113 131 F CA -1.363 56.654 58.000 0.028 0.000 0.951 131 F CB 0.880 39.894 39.000 0.024 0.000 1.344 131 F HN 0.507 nan 8.300 nan 0.000 0.462 132 C N 4.133 123.529 119.300 0.161 0.000 2.686 132 C HA 0.738 5.220 4.460 0.036 0.000 0.318 132 C C -1.054 173.967 174.990 0.052 0.000 1.160 132 C CA -0.861 58.179 59.018 0.037 0.000 1.396 132 C CB 1.176 28.920 27.740 0.006 0.000 1.924 132 C HN 0.862 nan 8.230 nan 0.000 0.471 133 M N 5.446 125.024 119.600 -0.036 0.000 2.135 133 M HA 0.561 5.062 4.480 0.036 0.000 0.345 133 M C 0.708 176.862 176.300 -0.243 0.000 1.340 133 M CA 0.759 55.935 55.300 -0.206 0.000 1.162 133 M CB -0.420 31.958 32.600 -0.370 0.000 1.570 133 M HN 1.437 nan 8.290 nan 0.000 0.454 134 G N 5.303 113.960 108.800 -0.238 0.000 2.497 134 G HA2 -0.013 3.969 3.960 0.036 0.000 0.686 134 G HA3 -0.013 3.969 3.960 0.036 0.000 0.686 134 G C -3.328 171.531 174.900 -0.068 0.000 1.288 134 G CA -1.455 43.546 45.100 -0.165 0.000 0.899 134 G HN 0.394 nan 8.290 nan 0.000 0.608 135 P HA 0.093 nan 4.420 nan 0.000 0.263 135 P C 1.166 178.460 177.300 -0.010 0.000 1.168 135 P CA 0.031 63.126 63.100 -0.009 0.000 0.759 135 P CB 0.453 32.194 31.700 0.068 0.000 0.782 136 I N 3.114 123.664 120.570 -0.033 0.000 2.614 136 I HA -0.210 3.982 4.170 0.036 0.000 0.258 136 I C 1.631 177.699 176.117 -0.082 0.000 1.189 136 I CA 1.359 62.632 61.300 -0.045 0.000 1.462 136 I CB -0.107 37.867 38.000 -0.043 0.000 1.092 136 I HN 0.284 nan 8.210 nan 0.000 0.442 137 S N -1.028 114.601 115.700 -0.119 0.000 2.603 137 S HA -0.070 4.422 4.470 0.036 0.000 0.229 137 S C 0.693 175.086 174.600 -0.345 0.000 0.972 137 S CA -0.157 57.877 58.200 -0.275 0.000 0.935 137 S CB -0.873 62.079 63.200 -0.412 0.000 0.769 137 S HN 0.543 nan 8.310 nan 0.000 0.536 138 D N 2.171 122.503 120.400 -0.114 0.000 2.345 138 D HA 0.259 4.920 4.640 0.036 0.000 0.247 138 D C -1.466 174.788 176.300 -0.077 0.000 1.108 138 D CA -1.899 52.094 54.000 -0.012 0.000 0.894 138 D CB 1.073 41.930 40.800 0.096 0.000 1.203 138 D HN -0.097 nan 8.370 nan 0.000 0.430 139 P HA -0.059 nan 4.420 nan 0.000 0.213 139 P C -0.907 176.377 177.300 -0.027 0.000 1.170 139 P CA 1.251 64.316 63.100 -0.058 0.000 0.902 139 P CB 0.037 31.724 31.700 -0.021 0.000 0.789 140 D N -2.320 118.079 120.400 -0.001 0.000 2.464 140 D HA 0.208 4.870 4.640 0.036 0.000 0.243 140 D C -2.264 174.049 176.300 0.022 0.000 1.104 140 D CA -1.944 52.061 54.000 0.008 0.000 0.883 140 D CB 0.614 41.418 40.800 0.007 0.000 1.050 140 D HN 0.137 nan 8.370 nan 0.000 0.524 141 P HA 0.057 nan 4.420 nan 0.000 0.234 141 P C -0.779 176.601 177.300 0.133 0.000 1.175 141 P CA 0.080 63.219 63.100 0.065 0.000 0.801 141 P CB 0.327 32.052 31.700 0.041 0.000 0.891 142 K N -0.761 119.726 120.400 0.145 0.000 5.663 142 K HA -0.052 4.289 4.320 0.036 0.000 0.861 142 K C -0.816 175.904 176.600 0.201 0.000 2.175 142 K CA 0.502 56.938 56.287 0.248 0.000 1.596 142 K CB -1.856 30.885 32.500 0.401 0.000 2.697 142 K HN 0.167 nan 8.250 nan 0.000 0.196 143 L N 0.612 121.966 121.223 0.219 0.000 2.403 143 L HA 0.908 5.269 4.340 0.036 0.000 0.253 143 L C 0.639 177.550 176.870 0.069 0.000 1.045 143 L CA -0.650 54.224 54.840 0.057 0.000 0.845 143 L CB 2.697 44.776 42.059 0.034 0.000 1.447 143 L HN 0.813 nan 8.230 nan 0.000 0.411 144 G N -0.263 108.302 108.800 -0.391 0.000 2.704 144 G HA2 0.664 4.645 3.960 0.036 0.000 0.293 144 G HA3 0.664 4.645 3.960 0.036 0.000 0.293 144 G C -2.124 172.411 174.900 -0.608 0.000 1.421 144 G CA -0.448 44.325 45.100 -0.543 0.000 0.870 144 G HN 0.294 nan 8.290 nan 0.000 0.492 145 V N 0.397 120.234 119.914 -0.128 0.000 2.525 145 V HA 0.569 4.711 4.120 0.036 0.000 0.299 145 V C -0.297 176.080 176.094 0.472 0.000 1.034 145 V CA -0.721 61.639 62.300 0.101 0.000 0.863 145 V CB 1.421 33.213 31.823 -0.051 0.000 0.999 145 V HN 0.892 nan 8.190 nan 0.000 0.423 146 Q N 4.245 124.374 119.800 0.548 0.000 2.312 146 Q HA 0.756 5.118 4.340 0.036 0.000 0.263 146 Q C -1.739 174.410 176.000 0.248 0.000 0.995 146 Q CA -0.678 55.402 55.803 0.462 0.000 0.853 146 Q CB 1.971 30.930 28.738 0.369 0.000 1.300 146 Q HN 0.767 nan 8.270 nan 0.000 0.448 147 L N 2.772 124.072 121.223 0.128 0.000 2.322 147 L HA 0.672 5.033 4.340 0.036 0.000 0.281 147 L C -0.117 176.672 176.870 -0.135 0.000 1.014 147 L CA -0.587 54.175 54.840 -0.130 0.000 0.815 147 L CB 1.992 43.805 42.059 -0.410 0.000 1.247 147 L HN 0.726 nan 8.230 nan 0.000 0.421 148 T N -1.217 113.271 114.554 -0.110 0.000 2.816 148 T HA 0.307 4.679 4.350 0.036 0.000 0.299 148 T C -0.714 173.959 174.700 -0.046 0.000 1.230 148 T CA -0.484 61.605 62.100 -0.019 0.000 1.007 148 T CB 1.735 70.720 68.868 0.194 0.000 1.289 148 T HN 0.711 nan 8.240 nan 0.000 0.508 149 D N 0.299 120.676 120.400 -0.038 0.000 2.398 149 D HA 0.283 4.945 4.640 0.036 0.000 0.210 149 D C 0.431 176.797 176.300 0.110 0.000 1.094 149 D CA -0.147 53.831 54.000 -0.037 0.000 0.839 149 D CB 0.375 41.091 40.800 -0.140 0.000 0.963 149 D HN 0.293 nan 8.370 nan 0.000 0.506 150 S N -0.046 115.734 115.700 0.133 0.000 2.449 150 S HA 0.202 4.694 4.470 0.036 0.000 0.310 150 S C 0.652 175.201 174.600 -0.085 0.000 1.096 150 S CA -0.632 57.590 58.200 0.036 0.000 1.095 150 S CB 1.299 64.517 63.200 0.029 0.000 1.007 150 S HN 0.070 nan 8.310 nan 0.000 0.474 151 E N 3.087 123.167 120.200 -0.200 0.000 2.216 151 E HA -0.103 4.268 4.350 0.036 0.000 0.192 151 E C 0.965 177.390 176.600 -0.290 0.000 0.988 151 E CA 0.608 56.768 56.400 -0.401 0.000 0.834 151 E CB -0.134 29.326 29.700 -0.399 0.000 0.772 151 E HN 0.900 nan 8.360 nan 0.000 0.479 152 Y N 1.844 121.970 120.300 -0.290 0.000 2.069 152 Y HA -0.325 4.247 4.550 0.036 0.000 0.278 152 Y C 2.407 178.177 175.900 -0.217 0.000 1.175 152 Y CA 1.914 59.869 58.100 -0.242 0.000 1.134 152 Y CB -0.391 37.933 38.460 -0.228 0.000 0.965 152 Y HN -0.018 nan 8.280 nan 0.000 0.498 153 V N -0.665 119.179 119.914 -0.117 0.000 2.343 153 V HA -0.214 3.928 4.120 0.036 0.000 0.247 153 V C 2.025 177.959 176.094 -0.266 0.000 1.051 153 V CA 2.078 64.237 62.300 -0.234 0.000 1.036 153 V CB -1.027 30.663 31.823 -0.221 0.000 0.654 153 V HN 0.351 nan 8.190 nan 0.000 0.451 154 V N 0.524 120.286 119.914 -0.254 0.000 2.231 154 V HA -0.381 3.760 4.120 0.036 0.000 0.248 154 V C 2.755 178.719 176.094 -0.216 0.000 1.054 154 V CA 3.090 65.245 62.300 -0.240 0.000 1.015 154 V CB -0.872 30.747 31.823 -0.341 0.000 0.638 154 V HN 0.523 nan 8.190 nan 0.000 0.444 155 M N -0.063 119.364 119.600 -0.289 0.000 2.088 155 M HA -0.234 4.267 4.480 0.036 0.000 0.256 155 M C 2.474 178.706 176.300 -0.114 0.000 1.071 155 M CA 2.428 57.586 55.300 -0.236 0.000 1.097 155 M CB -0.719 31.557 32.600 -0.540 0.000 1.315 155 M HN 0.401 nan 8.290 nan 0.000 0.406 156 S N 0.198 115.702 115.700 -0.327 0.000 2.370 156 S HA -0.131 4.361 4.470 0.036 0.000 0.226 156 S C 1.857 176.322 174.600 -0.226 0.000 1.033 156 S CA 1.255 59.273 58.200 -0.304 0.000 1.011 156 S CB -0.244 62.657 63.200 -0.499 0.000 0.852 156 S HN 0.387 nan 8.310 nan 0.000 0.457 157 M N 1.067 120.521 119.600 -0.244 0.000 2.106 157 M HA -0.130 4.371 4.480 0.036 0.000 0.259 157 M C 2.206 178.420 176.300 -0.142 0.000 1.068 157 M CA 1.380 56.539 55.300 -0.235 0.000 1.100 157 M CB -1.151 31.303 32.600 -0.242 0.000 1.351 157 M HN 0.305 nan 8.290 nan 0.000 0.404 158 R N 0.290 120.751 120.500 -0.065 0.000 2.103 158 R HA -0.144 4.217 4.340 0.036 0.000 0.242 158 R C 2.019 178.284 176.300 -0.058 0.000 1.142 158 R CA 1.594 57.685 56.100 -0.014 0.000 0.960 158 R CB -0.180 30.179 30.300 0.098 0.000 0.858 158 R HN 0.347 nan 8.270 nan 0.000 0.439 159 I N -0.287 120.247 120.570 -0.061 0.000 2.852 159 I HA -0.146 4.046 4.170 0.036 0.000 0.264 159 I C 1.790 177.831 176.117 -0.128 0.000 1.179 159 I CA 0.437 61.682 61.300 -0.093 0.000 1.480 159 I CB 0.130 38.096 38.000 -0.056 0.000 1.111 159 I HN 0.196 nan 8.210 nan 0.000 0.441 160 M N -0.160 119.348 119.600 -0.154 0.000 2.510 160 M HA 0.120 4.622 4.480 0.036 0.000 0.256 160 M C 1.060 177.247 176.300 -0.188 0.000 1.132 160 M CA 0.666 55.850 55.300 -0.193 0.000 1.105 160 M CB -0.705 31.744 32.600 -0.252 0.000 1.375 160 M HN 0.256 nan 8.290 nan 0.000 0.477 161 T N -1.423 113.037 114.554 -0.157 0.000 2.858 161 T HA 0.625 4.997 4.350 0.036 0.000 0.285 161 T C -0.387 174.290 174.700 -0.038 0.000 1.052 161 T CA -0.922 61.120 62.100 -0.096 0.000 1.009 161 T CB 1.988 70.802 68.868 -0.089 0.000 1.241 161 T HN 0.004 nan 8.240 nan 0.000 0.542 162 R N 1.258 121.765 120.500 0.010 0.000 2.248 162 R HA 0.457 4.818 4.340 0.036 0.000 0.337 162 R C 0.040 176.385 176.300 0.074 0.000 1.106 162 R CA -0.246 55.868 56.100 0.022 0.000 0.959 162 R CB 0.094 30.401 30.300 0.011 0.000 1.075 162 R HN 0.734 nan 8.270 nan 0.000 0.480 163 M N 1.841 121.476 119.600 0.059 0.000 2.404 163 M HA 0.717 5.219 4.480 0.036 0.000 0.338 163 M C 0.033 176.376 176.300 0.073 0.000 1.150 163 M CA 0.263 55.621 55.300 0.098 0.000 1.016 163 M CB 1.760 34.399 32.600 0.065 0.000 1.672 163 M HN 0.635 nan 8.290 nan 0.000 0.448 164 G N 2.911 111.764 108.800 0.090 0.000 2.265 164 G HA2 -0.070 3.911 3.960 0.036 0.000 0.246 164 G HA3 -0.070 3.911 3.960 0.036 0.000 0.246 164 G C -0.204 174.742 174.900 0.078 0.000 1.299 164 G CA -0.224 44.926 45.100 0.082 0.000 1.117 164 G HN 0.987 nan 8.290 nan 0.000 0.485 165 I N 0.052 120.663 120.570 0.068 0.000 2.423 165 I HA 0.042 4.233 4.170 0.036 0.000 0.254 165 I C 2.114 178.246 176.117 0.026 0.000 1.151 165 I CA 2.411 63.742 61.300 0.051 0.000 1.421 165 I CB -0.936 37.083 38.000 0.033 0.000 1.079 165 I HN 0.620 nan 8.210 nan 0.000 0.431 166 E N 1.227 121.438 120.200 0.018 0.000 2.153 166 E HA -0.135 4.237 4.350 0.036 0.000 0.194 166 E C 2.340 178.941 176.600 0.001 0.000 0.988 166 E CA 1.282 57.683 56.400 0.002 0.000 0.811 166 E CB -0.160 29.537 29.700 -0.005 0.000 0.746 166 E HN 0.674 nan 8.360 nan 0.000 0.466 167 A N 1.066 123.896 122.820 0.016 0.000 1.903 167 A HA -0.019 4.322 4.320 0.036 0.000 0.213 167 A C 2.089 179.670 177.584 -0.004 0.000 1.185 167 A CA 0.370 52.412 52.037 0.009 0.000 0.628 167 A CB -0.362 18.659 19.000 0.035 0.000 0.830 167 A HN 0.176 nan 8.150 nan 0.000 0.446 168 L N -0.625 120.608 121.223 0.017 0.000 2.217 168 L HA -0.107 4.255 4.340 0.036 0.000 0.211 168 L C 1.171 178.046 176.870 0.008 0.000 1.107 168 L CA 1.277 56.129 54.840 0.019 0.000 0.783 168 L CB -0.206 41.903 42.059 0.083 0.000 0.919 168 L HN 0.304 nan 8.230 nan 0.000 0.442 169 D N -0.608 119.795 120.400 0.004 0.000 2.323 169 D HA -0.109 4.553 4.640 0.036 0.000 0.209 169 D C 1.916 178.210 176.300 -0.011 0.000 0.973 169 D CA 0.542 54.539 54.000 -0.005 0.000 0.874 169 D CB 0.399 41.193 40.800 -0.010 0.000 0.930 169 D HN 0.033 nan 8.370 nan 0.000 0.521 170 K N 0.344 120.737 120.400 -0.011 0.000 2.116 170 K HA 0.114 4.455 4.320 0.036 0.000 0.203 170 K C 1.939 178.541 176.600 0.004 0.000 1.052 170 K CA 0.400 56.680 56.287 -0.011 0.000 0.952 170 K CB -0.049 32.443 32.500 -0.013 0.000 0.729 170 K HN 0.109 nan 8.250 nan 0.000 0.446 171 I N -0.429 120.143 120.570 0.003 0.000 2.133 171 I HA -0.071 4.121 4.170 0.036 0.000 0.238 171 I C 1.473 177.611 176.117 0.035 0.000 1.074 171 I CA 0.913 62.228 61.300 0.025 0.000 1.342 171 I CB -0.743 37.234 38.000 -0.038 0.000 1.053 171 I HN 0.380 nan 8.210 nan 0.000 0.404 172 G N 0.346 109.157 108.800 0.018 0.000 2.598 172 G HA2 -0.305 3.677 3.960 0.036 0.000 0.244 172 G HA3 -0.305 3.677 3.960 0.036 0.000 0.244 172 G C 0.768 175.690 174.900 0.037 0.000 1.302 172 G CA 0.241 45.353 45.100 0.020 0.000 0.903 172 G HN 0.523 nan 8.290 nan 0.000 0.575 173 A N -0.629 122.210 122.820 0.032 0.000 1.902 173 A HA 0.084 4.426 4.320 0.036 0.000 0.217 173 A C 1.750 179.370 177.584 0.060 0.000 1.181 173 A CA 2.274 54.335 52.037 0.040 0.000 0.623 173 A CB -0.327 18.688 19.000 0.025 0.000 0.818 173 A HN 1.050 nan 8.150 nan 0.000 0.443 174 N N -1.160 117.575 118.700 0.058 0.000 2.291 174 N HA 0.339 5.101 4.740 0.036 0.000 0.244 174 N C 0.371 175.926 175.510 0.074 0.000 1.216 174 N CA 0.185 53.271 53.050 0.060 0.000 0.879 174 N CB 0.987 39.495 38.487 0.035 0.000 1.167 174 N HN 0.383 nan 8.380 nan 0.000 0.515 175 G N -0.219 108.646 108.800 0.108 0.000 2.507 175 G HA2 0.420 4.402 3.960 0.036 0.000 0.271 175 G HA3 0.420 4.402 3.960 0.036 0.000 0.271 175 G C -0.225 174.786 174.900 0.185 0.000 1.189 175 G CA -0.171 45.002 45.100 0.123 0.000 0.859 175 G HN 0.066 nan 8.290 nan 0.000 0.542 176 S N -0.788 114.983 115.700 0.117 0.000 2.690 176 S HA 0.810 5.302 4.470 0.036 0.000 0.291 176 S C -0.881 173.806 174.600 0.145 0.000 1.138 176 S CA -0.297 57.920 58.200 0.028 0.000 1.013 176 S CB 0.922 64.077 63.200 -0.075 0.000 1.053 176 S HN 0.728 nan 8.310 nan 0.000 0.539 177 F N -1.471 118.423 119.950 -0.093 0.000 2.639 177 F HA 0.480 5.027 4.527 0.035 0.000 0.320 177 F C -1.188 174.496 175.800 -0.194 0.000 1.128 177 F CA -1.383 56.541 58.000 -0.127 0.000 1.037 177 F CB -0.062 38.838 39.000 -0.166 0.000 1.288 177 F HN 0.185 nan 8.300 nan 0.000 0.463 178 V N 3.593 123.477 119.914 -0.050 0.000 2.458 178 V HA 0.177 4.318 4.120 0.036 0.000 0.287 178 V C 0.304 176.367 176.094 -0.053 0.000 1.009 178 V CA -0.064 62.118 62.300 -0.196 0.000 1.091 178 V CB -0.137 31.362 31.823 -0.541 0.000 0.960 178 V HN 0.750 nan 8.190 nan 0.000 0.476 179 R N 4.197 124.608 120.500 -0.149 0.000 2.207 179 R HA 0.546 4.908 4.340 0.036 0.000 0.334 179 R C -0.815 175.648 176.300 0.271 0.000 1.013 179 R CA -0.389 55.573 56.100 -0.231 0.000 0.858 179 R CB 0.757 30.561 30.300 -0.827 0.000 1.094 179 R HN 0.684 nan 8.270 nan 0.000 0.457 180 C N 3.737 123.340 119.300 0.505 0.000 2.435 180 C HA 0.621 5.103 4.460 0.036 0.000 0.333 180 C C -0.561 174.775 174.990 0.576 0.000 1.202 180 C CA -1.034 58.330 59.018 0.577 0.000 1.830 180 C CB 1.073 29.113 27.740 0.499 0.000 2.326 180 C HN 0.578 nan 8.230 nan 0.000 0.507 181 L N 3.139 124.628 121.223 0.443 0.000 2.409 181 L HA 0.526 4.887 4.340 0.036 0.000 0.272 181 L C -0.334 176.722 176.870 0.308 0.000 0.980 181 L CA 0.154 55.106 54.840 0.186 0.000 0.826 181 L CB 1.142 43.098 42.059 -0.170 0.000 1.268 181 L HN 0.833 nan 8.230 nan 0.000 0.407 182 H N 1.941 121.036 119.070 0.042 0.000 2.600 182 H HA 0.568 5.145 4.556 0.036 0.000 0.357 182 H C -1.443 173.852 175.328 -0.055 0.000 1.106 182 H CA -0.085 56.021 56.048 0.096 0.000 1.193 182 H CB 2.344 32.144 29.762 0.063 0.000 1.594 182 H HN 0.594 nan 8.280 nan 0.000 0.526 183 S N 3.588 118.985 115.700 -0.506 0.000 2.575 183 S HA 0.144 4.635 4.470 0.036 0.000 0.278 183 S C 1.022 175.244 174.600 -0.630 0.000 1.139 183 S CA -0.351 57.557 58.200 -0.488 0.000 0.954 183 S CB 1.058 64.275 63.200 0.029 0.000 1.054 183 S HN 0.570 nan 8.310 nan 0.000 0.483 184 V N 2.439 122.037 119.914 -0.527 0.000 3.186 184 V HA 0.248 4.390 4.120 0.036 0.000 0.270 184 V C 1.464 177.341 176.094 -0.362 0.000 1.149 184 V CA 1.101 63.186 62.300 -0.358 0.000 1.160 184 V CB -1.707 29.975 31.823 -0.234 0.000 0.758 184 V HN 1.837 nan 8.190 nan 0.000 0.516 185 G N -0.010 108.604 108.800 -0.311 0.000 2.272 185 G HA2 0.038 4.019 3.960 0.036 0.000 0.280 185 G HA3 0.038 4.019 3.960 0.036 0.000 0.280 185 G C 0.199 175.089 174.900 -0.016 0.000 1.067 185 G CA 0.269 45.266 45.100 -0.173 0.000 0.902 185 G HN 1.993 nan 8.290 nan 0.000 0.500 186 A N 0.422 123.236 122.820 -0.010 0.000 3.297 186 A HA 0.734 5.076 4.320 0.036 0.000 0.304 186 A C -1.676 175.925 177.584 0.029 0.000 0.963 186 A CA -0.980 51.066 52.037 0.016 0.000 0.935 186 A CB 1.174 20.165 19.000 -0.014 0.000 1.093 186 A HN 0.256 nan 8.150 nan 0.000 0.480 187 P HA 0.081 nan 4.420 nan 0.000 0.263 187 P C -0.568 176.751 177.300 0.033 0.000 1.175 187 P CA 0.750 63.880 63.100 0.050 0.000 0.761 187 P CB 0.594 32.336 31.700 0.070 0.000 0.794 188 L N 2.984 124.219 121.223 0.020 0.000 2.296 188 L HA 0.310 4.672 4.340 0.036 0.000 0.286 188 L C 0.934 177.813 176.870 0.015 0.000 1.023 188 L CA -0.878 53.971 54.840 0.016 0.000 0.812 188 L CB 0.989 43.053 42.059 0.007 0.000 1.223 188 L HN 0.207 nan 8.230 nan 0.000 0.421 189 E N 3.762 123.972 120.200 0.017 0.000 2.354 189 E HA 0.136 4.507 4.350 0.036 0.000 0.269 189 E C -1.490 175.117 176.600 0.011 0.000 1.036 189 E CA -2.110 54.299 56.400 0.015 0.000 0.876 189 E CB 0.885 30.595 29.700 0.017 0.000 1.009 189 E HN 0.278 nan 8.360 nan 0.000 0.416 190 P HA -0.257 nan 4.420 nan 0.000 0.233 190 P C 0.789 178.093 177.300 0.006 0.000 1.146 190 P CA 2.438 65.541 63.100 0.006 0.000 0.931 190 P CB 0.280 31.983 31.700 0.005 0.000 0.777 191 G N -2.251 106.554 108.800 0.009 0.000 3.324 191 G HA2 -0.030 3.952 3.960 0.036 0.000 0.251 191 G HA3 -0.030 3.952 3.960 0.036 0.000 0.251 191 G C 1.002 175.908 174.900 0.011 0.000 1.072 191 G CA -0.163 44.943 45.100 0.009 0.000 0.787 191 G HN 0.250 nan 8.290 nan 0.000 0.537 192 Q N 0.376 120.184 119.800 0.012 0.000 2.592 192 Q HA -0.099 4.262 4.340 0.036 0.000 0.219 192 Q C 0.028 176.038 176.000 0.016 0.000 0.984 192 Q CA 0.258 56.070 55.803 0.015 0.000 0.911 192 Q CB -0.220 28.528 28.738 0.017 0.000 0.962 192 Q HN 0.611 nan 8.270 nan 0.000 0.532 193 E N 1.844 122.053 120.200 0.015 0.000 1.820 193 E HA -0.238 4.134 4.350 0.036 0.000 0.296 193 E C -0.367 176.244 176.600 0.019 0.000 1.702 193 E CA 0.019 56.429 56.400 0.016 0.000 1.076 193 E CB -0.049 29.662 29.700 0.018 0.000 0.745 193 E HN 0.256 nan 8.360 nan 0.000 0.333 194 D N 1.322 121.732 120.400 0.017 0.000 2.346 194 D HA 0.258 4.919 4.640 0.036 0.000 0.249 194 D C -0.017 176.299 176.300 0.026 0.000 1.308 194 D CA -0.137 53.874 54.000 0.017 0.000 0.987 194 D CB 0.862 41.668 40.800 0.010 0.000 1.114 194 D HN 0.102 nan 8.370 nan 0.000 0.529 195 V N -0.165 119.766 119.914 0.029 0.000 3.177 195 V HA 0.557 4.698 4.120 0.036 0.000 0.319 195 V C 1.239 177.368 176.094 0.059 0.000 1.125 195 V CA -0.089 62.240 62.300 0.048 0.000 1.029 195 V CB 1.246 33.104 31.823 0.060 0.000 1.119 195 V HN 0.695 nan 8.190 nan 0.000 0.452 196 A N 0.258 123.136 122.820 0.098 0.000 1.898 196 A HA -0.016 4.325 4.320 0.036 0.000 0.214 196 A C 0.907 178.605 177.584 0.189 0.000 1.183 196 A CA 0.950 53.066 52.037 0.131 0.000 0.622 196 A CB -0.044 19.045 19.000 0.147 0.000 0.824 196 A HN 0.796 nan 8.150 nan 0.000 0.444 197 W N 2.319 123.622 121.300 0.005 0.000 2.483 197 W HA 0.382 5.063 4.660 0.035 0.000 0.291 197 W C -3.129 173.388 176.519 -0.003 0.000 0.997 197 W CA -2.458 54.882 57.345 -0.008 0.000 1.591 197 W CB 1.120 30.577 29.460 -0.006 0.000 1.434 197 W HN 0.098 nan 8.180 nan 0.000 0.420 198 P HA 0.247 nan 4.420 nan 0.000 0.271 198 P C -0.142 177.082 177.300 -0.127 0.000 1.218 198 P CA 0.431 63.470 63.100 -0.103 0.000 0.780 198 P CB 1.317 32.944 31.700 -0.121 0.000 0.901 199 C N -0.241 119.054 119.300 -0.009 0.000 3.167 199 C HA 0.612 5.094 4.460 0.036 0.000 0.348 199 C C -1.496 173.491 174.990 -0.005 0.000 1.394 199 C CA -0.860 58.155 59.018 -0.005 0.000 1.204 199 C CB 1.390 29.221 27.740 0.152 0.000 1.467 199 C HN 0.643 nan 8.230 nan 0.000 0.446 200 N N 0.283 118.960 118.700 -0.039 0.000 2.238 200 N HA 0.315 5.076 4.740 0.036 0.000 0.302 200 N C 0.288 175.812 175.510 0.024 0.000 1.072 200 N CA -0.266 52.781 53.050 -0.005 0.000 0.792 200 N CB 2.034 40.495 38.487 -0.042 0.000 1.425 200 N HN 0.788 nan 8.380 nan 0.000 0.478 201 D N 0.268 120.697 120.400 0.047 0.000 2.154 201 D HA -0.161 4.500 4.640 0.036 0.000 0.190 201 D C 0.656 176.961 176.300 0.008 0.000 1.003 201 D CA 1.633 55.654 54.000 0.035 0.000 0.849 201 D CB -0.354 40.473 40.800 0.045 0.000 0.942 201 D HN 0.664 nan 8.370 nan 0.000 0.446 202 T N -0.291 114.273 114.554 0.018 0.000 2.817 202 T HA 0.411 4.783 4.350 0.036 0.000 0.293 202 T C -0.344 174.307 174.700 -0.082 0.000 0.964 202 T CA -0.526 61.520 62.100 -0.090 0.000 1.085 202 T CB 0.983 69.756 68.868 -0.159 0.000 0.921 202 T HN -0.134 nan 8.240 nan 0.000 0.502 203 K N 3.375 123.637 120.400 -0.230 0.000 2.507 203 K HA 0.503 4.844 4.320 0.036 0.000 0.251 203 K C -1.649 174.849 176.600 -0.170 0.000 0.943 203 K CA -0.657 55.577 56.287 -0.088 0.000 0.794 203 K CB 2.099 34.593 32.500 -0.009 0.000 1.188 203 K HN 0.676 nan 8.250 nan 0.000 0.428 204 Y N 1.453 121.911 120.300 0.263 0.000 2.524 204 Y HA 0.558 5.130 4.550 0.036 0.000 0.347 204 Y C -0.778 175.307 175.900 0.308 0.000 1.005 204 Y CA -1.311 56.962 58.100 0.288 0.000 1.025 204 Y CB 2.189 40.814 38.460 0.276 0.000 1.275 204 Y HN 0.524 nan 8.280 nan 0.000 0.460 205 I N 2.164 123.032 120.570 0.495 0.000 2.560 205 I HA 0.447 4.639 4.170 0.036 0.000 0.278 205 I C -0.955 175.359 176.117 0.327 0.000 1.089 205 I CA -0.070 61.461 61.300 0.384 0.000 1.086 205 I CB 1.104 39.278 38.000 0.290 0.000 1.202 205 I HN 0.559 nan 8.210 nan 0.000 0.471 206 T N 3.357 118.079 114.554 0.281 0.000 2.859 206 T HA 0.659 5.031 4.350 0.036 0.000 0.281 206 T C -0.605 174.018 174.700 -0.127 0.000 1.005 206 T CA -0.680 61.427 62.100 0.011 0.000 1.025 206 T CB 1.724 70.452 68.868 -0.233 0.000 0.977 206 T HN 0.635 nan 8.240 nan 0.000 0.458 207 Q N 2.070 121.680 119.800 -0.317 0.000 2.340 207 Q HA 0.397 4.758 4.340 0.036 0.000 0.268 207 Q C -1.538 174.170 176.000 -0.487 0.000 1.031 207 Q CA -0.556 55.123 55.803 -0.206 0.000 0.804 207 Q CB 2.320 31.048 28.738 -0.018 0.000 1.286 207 Q HN 0.759 nan 8.270 nan 0.000 0.448 208 F N 2.814 122.732 119.950 -0.053 0.000 2.310 208 F HA 0.287 4.834 4.527 0.033 0.000 0.365 208 F C -1.695 174.078 175.800 -0.044 0.000 1.080 208 F CA -1.926 56.017 58.000 -0.095 0.000 1.187 208 F CB 1.235 40.113 39.000 -0.202 0.000 1.465 208 F HN 0.399 nan 8.300 nan 0.000 0.496 209 P HA -0.185 nan 4.420 nan 0.000 0.215 209 P C 1.192 178.519 177.300 0.045 0.000 1.157 209 P CA 1.592 64.734 63.100 0.070 0.000 0.868 209 P CB 0.330 32.077 31.700 0.079 0.000 0.788 210 E N -1.146 119.087 120.200 0.056 0.000 2.110 210 E HA -0.113 4.258 4.350 0.036 0.000 0.193 210 E C 1.498 178.098 176.600 -0.001 0.000 0.988 210 E CA 1.831 58.244 56.400 0.022 0.000 0.804 210 E CB -0.774 28.944 29.700 0.030 0.000 0.745 210 E HN 0.355 nan 8.360 nan 0.000 0.458 211 T N -2.444 112.116 114.554 0.011 0.000 3.174 211 T HA 0.255 4.626 4.350 0.036 0.000 0.269 211 T C -0.041 174.633 174.700 -0.044 0.000 1.017 211 T CA -0.582 61.497 62.100 -0.034 0.000 0.899 211 T CB 0.108 68.939 68.868 -0.062 0.000 1.077 211 T HN -0.221 nan 8.240 nan 0.000 0.552 212 K N 1.403 121.793 120.400 -0.017 0.000 3.689 212 K HA -0.146 4.196 4.320 0.036 0.000 0.276 212 K C -0.545 176.046 176.600 -0.016 0.000 0.932 212 K CA 0.702 56.963 56.287 -0.043 0.000 0.758 212 K CB -1.883 30.552 32.500 -0.109 0.000 1.500 212 K HN 0.794 nan 8.250 nan 0.000 0.448 213 E N -0.076 120.192 120.200 0.113 0.000 2.314 213 E HA 0.613 4.985 4.350 0.036 0.000 0.272 213 E C -0.428 176.405 176.600 0.388 0.000 0.884 213 E CA -0.872 55.685 56.400 0.260 0.000 0.753 213 E CB 1.742 31.578 29.700 0.226 0.000 1.213 213 E HN 0.184 nan 8.360 nan 0.000 0.432 214 I N 1.910 122.797 120.570 0.528 0.000 2.534 214 I HA 0.406 4.598 4.170 0.036 0.000 0.288 214 I C -1.446 175.194 176.117 0.873 0.000 1.077 214 I CA -0.698 60.918 61.300 0.526 0.000 1.051 214 I CB 1.374 39.603 38.000 0.382 0.000 1.234 214 I HN 0.355 nan 8.210 nan 0.000 0.425 215 W N 4.984 126.552 121.300 0.447 0.000 2.554 215 W HA 0.592 5.272 4.660 0.034 0.000 0.324 215 W C 0.100 176.909 176.519 0.483 0.000 1.018 215 W CA -1.120 56.544 57.345 0.530 0.000 1.243 215 W CB 1.883 31.703 29.460 0.602 0.000 1.345 215 W HN 0.363 nan 8.180 nan 0.000 0.441 216 S N 3.192 119.320 115.700 0.714 0.000 2.621 216 S HA 0.841 5.332 4.470 0.036 0.000 0.302 216 S C -1.780 173.226 174.600 0.677 0.000 1.093 216 S CA -0.309 58.266 58.200 0.625 0.000 1.017 216 S CB 1.799 65.315 63.200 0.527 0.000 1.077 216 S HN 0.356 nan 8.310 nan 0.000 0.517 217 Y N 0.601 121.153 120.300 0.419 0.000 2.436 217 Y HA 0.545 5.116 4.550 0.035 0.000 0.327 217 Y C 0.456 176.485 175.900 0.216 0.000 1.138 217 Y CA 0.253 58.554 58.100 0.336 0.000 1.042 217 Y CB 1.123 39.777 38.460 0.324 0.000 1.302 217 Y HN 1.157 nan 8.280 nan 0.000 0.439 218 G N 2.585 110.982 108.800 -0.672 0.000 2.313 218 G HA2 -0.211 3.770 3.960 0.036 0.000 0.215 218 G HA3 -0.211 3.770 3.960 0.036 0.000 0.215 218 G C -0.159 174.665 174.900 -0.126 0.000 1.023 218 G CA 0.053 44.883 45.100 -0.450 0.000 0.626 218 G HN 1.086 nan 8.290 nan 0.000 0.503 219 S N 0.789 116.510 115.700 0.036 0.000 2.456 219 S HA 0.575 5.066 4.470 0.036 0.000 0.316 219 S C 1.342 176.120 174.600 0.297 0.000 1.089 219 S CA 0.810 59.127 58.200 0.196 0.000 1.101 219 S CB 1.156 64.503 63.200 0.244 0.000 0.995 219 S HN 1.341 nan 8.310 nan 0.000 0.468 220 G N 3.085 112.033 108.800 0.247 0.000 2.776 220 G HA2 0.041 4.022 3.960 0.036 0.000 0.209 220 G HA3 0.041 4.022 3.960 0.036 0.000 0.209 220 G C -0.026 175.072 174.900 0.330 0.000 1.145 220 G CA 0.380 45.551 45.100 0.118 0.000 0.791 220 G HN 0.691 nan 8.290 nan 0.000 0.530 221 Y N 0.606 121.129 120.300 0.373 0.000 2.352 221 Y HA 0.475 5.047 4.550 0.036 0.000 0.339 221 Y C 1.054 177.112 175.900 0.263 0.000 0.992 221 Y CA 0.048 58.385 58.100 0.395 0.000 1.100 221 Y CB 1.374 40.011 38.460 0.295 0.000 1.192 221 Y HN 0.413 nan 8.280 nan 0.000 0.458 222 G N 3.527 112.045 108.800 -0.471 0.000 2.583 222 G HA2 -0.357 3.624 3.960 0.036 0.000 0.292 222 G HA3 -0.357 3.624 3.960 0.036 0.000 0.292 222 G C 1.029 175.829 174.900 -0.166 0.000 1.203 222 G CA 0.146 45.035 45.100 -0.353 0.000 0.987 222 G HN 1.528 nan 8.290 nan 0.000 0.554 223 G N 0.255 109.035 108.800 -0.034 0.000 2.776 223 G HA2 0.103 4.084 3.960 0.036 0.000 0.209 223 G HA3 0.103 4.084 3.960 0.036 0.000 0.209 223 G C 1.292 176.251 174.900 0.098 0.000 1.145 223 G CA 1.276 46.374 45.100 -0.003 0.000 0.791 223 G HN 0.577 nan 8.290 nan 0.000 0.530 224 N N 0.786 119.581 118.700 0.157 0.000 2.354 224 N HA 0.032 4.793 4.740 0.036 0.000 0.179 224 N C 2.041 177.654 175.510 0.171 0.000 1.021 224 N CA 1.053 54.226 53.050 0.205 0.000 0.887 224 N CB 0.238 38.882 38.487 0.261 0.000 0.974 224 N HN 0.373 nan 8.380 nan 0.000 0.437 225 A N 0.066 122.901 122.820 0.026 0.000 2.026 225 A HA 0.337 4.679 4.320 0.036 0.000 0.198 225 A C 0.792 178.148 177.584 -0.379 0.000 1.390 225 A CA -0.158 51.708 52.037 -0.285 0.000 0.915 225 A CB 0.331 19.229 19.000 -0.169 0.000 0.974 225 A HN 0.065 nan 8.150 nan 0.000 0.477 226 I N 2.151 122.581 120.570 -0.234 0.000 2.269 226 I HA 0.113 4.304 4.170 0.036 0.000 0.293 226 I C 0.447 176.458 176.117 -0.177 0.000 1.106 226 I CA -0.433 60.706 61.300 -0.269 0.000 1.248 226 I CB 1.254 39.035 38.000 -0.366 0.000 1.444 226 I HN 0.099 nan 8.210 nan 0.000 0.497 227 L N 4.899 126.058 121.223 -0.106 0.000 2.418 227 L HA 0.065 4.426 4.340 0.036 0.000 0.218 227 L C 2.404 179.335 176.870 0.103 0.000 1.125 227 L CA 1.109 55.989 54.840 0.066 0.000 0.835 227 L CB -1.158 41.014 42.059 0.188 0.000 0.953 227 L HN 0.668 nan 8.230 nan 0.000 0.454 228 A N -1.076 121.699 122.820 -0.075 0.000 1.968 228 A HA -0.116 4.225 4.320 0.036 0.000 0.217 228 A C 2.349 179.923 177.584 -0.018 0.000 1.169 228 A CA 0.922 52.937 52.037 -0.038 0.000 0.638 228 A CB -0.180 18.538 19.000 -0.469 0.000 0.812 228 A HN 0.111 nan 8.150 nan 0.000 0.446 229 K N -0.041 120.282 120.400 -0.129 0.000 1.978 229 K HA -0.121 4.221 4.320 0.036 0.000 0.214 229 K C 1.448 178.005 176.600 -0.071 0.000 1.049 229 K CA 1.684 57.873 56.287 -0.164 0.000 0.939 229 K CB -0.094 32.233 32.500 -0.287 0.000 0.721 229 K HN 0.284 nan 8.250 nan 0.000 0.441 230 K N -1.208 119.189 120.400 -0.004 0.000 2.380 230 K HA 0.136 4.478 4.320 0.036 0.000 0.200 230 K C 2.369 179.073 176.600 0.173 0.000 1.201 230 K CA 0.510 56.809 56.287 0.019 0.000 0.916 230 K CB -0.669 31.846 32.500 0.025 0.000 1.187 230 K HN 0.106 nan 8.250 nan 0.000 0.498 231 C N 0.820 120.247 119.300 0.212 0.000 2.425 231 C HA -0.061 4.420 4.460 0.036 0.000 0.277 231 C C 2.515 177.704 174.990 0.332 0.000 1.280 231 C CA 0.427 59.603 59.018 0.264 0.000 1.744 231 C CB -0.839 27.052 27.740 0.250 0.000 1.989 231 C HN 0.432 nan 8.230 nan 0.000 0.491 232 Y N 1.236 121.682 120.300 0.243 0.000 2.230 232 Y HA 0.094 4.662 4.550 0.028 0.000 0.294 232 Y C 2.631 178.756 175.900 0.375 0.000 1.120 232 Y CA 0.768 59.060 58.100 0.320 0.000 1.129 232 Y CB -0.291 38.407 38.460 0.397 0.000 1.040 232 Y HN 0.174 nan 8.280 nan 0.000 0.519 233 A N -0.140 122.994 122.820 0.524 0.000 2.070 233 A HA -0.099 4.242 4.320 0.036 0.000 0.220 233 A C 1.809 179.717 177.584 0.540 0.000 1.159 233 A CA 1.661 53.996 52.037 0.497 0.000 0.656 233 A CB -0.444 18.654 19.000 0.165 0.000 0.800 233 A HN 0.593 nan 8.150 nan 0.000 0.453 234 L N -3.488 117.962 121.223 0.379 0.000 2.746 234 L HA 0.146 4.507 4.340 0.036 0.000 0.230 234 L C 2.543 179.607 176.870 0.325 0.000 1.034 234 L CA 0.024 55.069 54.840 0.343 0.000 0.922 234 L CB -0.149 42.048 42.059 0.231 0.000 1.496 234 L HN 0.188 nan 8.230 nan 0.000 0.498 235 R N 0.520 121.207 120.500 0.312 0.000 2.060 235 R HA -0.034 4.328 4.340 0.036 0.000 0.225 235 R C 2.093 178.530 176.300 0.228 0.000 1.155 235 R CA 1.151 57.411 56.100 0.266 0.000 0.930 235 R CB -0.215 30.234 30.300 0.247 0.000 0.829 235 R HN 0.110 nan 8.270 nan 0.000 0.433 236 I N 1.393 122.091 120.570 0.213 0.000 2.208 236 I HA -0.237 3.954 4.170 0.036 0.000 0.245 236 I C 2.589 178.794 176.117 0.147 0.000 1.097 236 I CA 1.441 62.827 61.300 0.144 0.000 1.363 236 I CB -1.598 36.422 38.000 0.035 0.000 1.051 236 I HN 0.204 nan 8.210 nan 0.000 0.413 237 A N 1.141 124.117 122.820 0.260 0.000 1.908 237 A HA -0.215 4.126 4.320 0.036 0.000 0.218 237 A C 2.544 180.042 177.584 -0.143 0.000 1.181 237 A CA 2.475 54.566 52.037 0.090 0.000 0.627 237 A CB -0.903 18.206 19.000 0.183 0.000 0.818 237 A HN 0.579 nan 8.150 nan 0.000 0.445 238 S N -0.191 115.542 115.700 0.055 0.000 2.382 238 S HA -0.138 4.353 4.470 0.036 0.000 0.228 238 S C 1.749 176.380 174.600 0.051 0.000 1.027 238 S CA 1.379 59.651 58.200 0.120 0.000 0.991 238 S CB -1.081 62.348 63.200 0.382 0.000 0.823 238 S HN 0.270 nan 8.310 nan 0.000 0.469 239 V N 2.821 122.764 119.914 0.048 0.000 2.233 239 V HA -0.249 3.893 4.120 0.036 0.000 0.247 239 V C 2.701 178.634 176.094 -0.268 0.000 1.050 239 V CA 2.484 64.707 62.300 -0.129 0.000 1.010 239 V CB -0.935 30.888 31.823 -0.001 0.000 0.637 239 V HN 0.480 nan 8.190 nan 0.000 0.444 240 M N -0.015 119.451 119.600 -0.223 0.000 2.106 240 M HA -0.204 4.298 4.480 0.036 0.000 0.259 240 M C 2.358 178.311 176.300 -0.578 0.000 1.068 240 M CA 2.215 57.375 55.300 -0.234 0.000 1.100 240 M CB -0.697 31.887 32.600 -0.026 0.000 1.351 240 M HN 0.426 nan 8.290 nan 0.000 0.404 241 A N 0.152 122.314 122.820 -1.097 0.000 1.902 241 A HA -0.191 4.150 4.320 0.036 0.000 0.217 241 A C 2.159 179.229 177.584 -0.857 0.000 1.181 241 A CA 1.800 52.797 52.037 -1.732 0.000 0.623 241 A CB -0.551 17.572 19.000 -1.462 0.000 0.818 241 A HN 0.309 nan 8.150 nan 0.000 0.443 242 R N 0.368 120.532 120.500 -0.560 0.000 2.073 242 R HA -0.079 4.283 4.340 0.036 0.000 0.234 242 R C 1.789 177.883 176.300 -0.343 0.000 1.134 242 R CA 2.072 57.896 56.100 -0.461 0.000 0.952 242 R CB -0.619 29.209 30.300 -0.787 0.000 0.850 242 R HN 0.710 nan 8.270 nan 0.000 0.433 243 E N -0.836 119.176 120.200 -0.312 0.000 2.358 243 E HA -0.094 4.278 4.350 0.036 0.000 0.195 243 E C 1.131 177.655 176.600 -0.127 0.000 1.010 243 E CA 0.881 57.168 56.400 -0.189 0.000 0.856 243 E CB 0.159 29.772 29.700 -0.144 0.000 0.795 243 E HN 0.284 nan 8.360 nan 0.000 0.504 244 E N -0.920 119.185 120.200 -0.158 0.000 2.490 244 E HA 0.135 4.507 4.350 0.036 0.000 0.209 244 E C 0.529 177.163 176.600 0.056 0.000 0.971 244 E CA 0.419 56.824 56.400 0.009 0.000 0.988 244 E CB 1.346 31.189 29.700 0.239 0.000 1.029 244 E HN 0.229 nan 8.360 nan 0.000 0.496 245 G N 1.045 109.791 108.800 -0.090 0.000 2.165 245 G HA2 -0.192 3.790 3.960 0.036 0.000 0.226 245 G HA3 -0.192 3.790 3.960 0.036 0.000 0.226 245 G C -0.224 174.733 174.900 0.094 0.000 1.035 245 G CA 0.334 45.428 45.100 -0.009 0.000 0.744 245 G HN 0.176 nan 8.290 nan 0.000 0.501 246 W N -2.207 119.048 121.300 -0.075 0.000 3.018 246 W HA 0.809 5.454 4.660 -0.025 0.000 0.382 246 W C -0.733 175.742 176.519 -0.073 0.000 1.161 246 W CA -1.809 55.491 57.345 -0.075 0.000 1.144 246 W CB 0.704 30.125 29.460 -0.065 0.000 1.499 246 W HN 0.066 nan 8.180 nan 0.000 0.596 247 M N 2.032 121.807 119.600 0.291 0.000 2.364 247 M HA 0.595 5.096 4.480 0.036 0.000 0.334 247 M C -0.397 176.092 176.300 0.316 0.000 1.107 247 M CA -0.507 54.867 55.300 0.124 0.000 0.988 247 M CB 2.067 34.692 32.600 0.042 0.000 1.673 247 M HN 0.459 nan 8.290 nan 0.000 0.441 248 A N 3.065 125.996 122.820 0.185 0.000 2.409 248 A HA 0.676 5.018 4.320 0.036 0.000 0.300 248 A C -1.022 176.842 177.584 0.468 0.000 1.273 248 A CA -0.696 51.559 52.037 0.364 0.000 0.774 248 A CB 0.605 19.681 19.000 0.126 0.000 1.144 248 A HN 0.669 nan 8.150 nan 0.000 0.472 249 E N 0.949 121.449 120.200 0.499 0.000 2.244 249 E HA 0.238 4.610 4.350 0.036 0.000 0.266 249 E C -0.887 175.942 176.600 0.381 0.000 0.914 249 E CA -0.652 56.038 56.400 0.484 0.000 0.794 249 E CB 1.283 31.266 29.700 0.472 0.000 1.210 249 E HN 0.636 nan 8.360 nan 0.000 0.414 250 H N 2.465 121.722 119.070 0.312 0.000 2.982 250 H HA 0.315 4.892 4.556 0.036 0.000 0.261 250 H C -0.708 174.714 175.328 0.157 0.000 1.603 250 H CA 0.260 56.433 56.048 0.209 0.000 1.398 250 H CB -0.188 29.722 29.762 0.246 0.000 1.693 250 H HN 0.312 nan 8.280 nan 0.000 0.535 251 M N 3.571 123.254 119.600 0.138 0.000 2.421 251 M HA 0.171 4.672 4.480 0.036 0.000 0.287 251 M C -1.070 175.248 176.300 0.030 0.000 1.183 251 M CA -1.195 54.150 55.300 0.075 0.000 0.916 251 M CB 2.795 35.458 32.600 0.105 0.000 1.701 251 M HN 0.233 nan 8.290 nan 0.000 0.470 252 L N 1.603 122.820 121.223 -0.010 0.000 2.334 252 L HA 0.825 5.187 4.340 0.036 0.000 0.277 252 L C -0.669 176.220 176.870 0.032 0.000 1.075 252 L CA -0.342 54.509 54.840 0.017 0.000 0.804 252 L CB 0.620 42.686 42.059 0.011 0.000 1.174 252 L HN 0.661 nan 8.230 nan 0.000 0.438 253 I N 4.119 124.730 120.570 0.069 0.000 2.382 253 I HA 0.609 4.800 4.170 0.036 0.000 0.286 253 I C -1.279 174.907 176.117 0.114 0.000 1.002 253 I CA -0.665 60.693 61.300 0.096 0.000 1.135 253 I CB 1.438 39.502 38.000 0.107 0.000 1.288 253 I HN 0.777 nan 8.210 nan 0.000 0.448 254 L N 7.350 128.636 121.223 0.105 0.000 2.313 254 L HA 0.583 4.945 4.340 0.036 0.000 0.283 254 L C -0.763 176.128 176.870 0.035 0.000 1.013 254 L CA -0.334 54.556 54.840 0.083 0.000 0.816 254 L CB 1.330 43.431 42.059 0.070 0.000 1.236 254 L HN 0.674 nan 8.230 nan 0.000 0.419 255 K N 5.120 125.508 120.400 -0.020 0.000 2.267 255 K HA 0.379 4.720 4.320 0.036 0.000 0.282 255 K C -1.351 175.220 176.600 -0.049 0.000 1.078 255 K CA -0.610 55.556 56.287 -0.202 0.000 0.903 255 K CB 0.551 32.935 32.500 -0.193 0.000 1.111 255 K HN 0.585 nan 8.250 nan 0.000 0.475 256 L N 6.918 128.145 121.223 0.007 0.000 2.307 256 L HA 0.505 4.866 4.340 0.036 0.000 0.284 256 L C -0.460 176.538 176.870 0.212 0.000 1.023 256 L CA -0.659 54.282 54.840 0.169 0.000 0.810 256 L CB 1.270 43.473 42.059 0.240 0.000 1.231 256 L HN 0.611 nan 8.230 nan 0.000 0.423 257 I N 4.032 124.715 120.570 0.188 0.000 2.509 257 I HA 0.387 4.579 4.170 0.036 0.000 0.293 257 I C -0.168 175.871 176.117 -0.129 0.000 1.020 257 I CA -0.935 60.395 61.300 0.049 0.000 1.088 257 I CB 1.927 39.922 38.000 -0.009 0.000 1.267 257 I HN 0.570 nan 8.210 nan 0.000 0.430 258 N N 5.890 124.300 118.700 -0.483 0.000 2.530 258 N HA 0.477 5.238 4.740 0.036 0.000 0.283 258 N C -2.424 172.568 175.510 -0.863 0.000 1.238 258 N CA -2.276 49.915 53.050 -1.432 0.000 0.971 258 N CB -0.016 37.644 38.487 -1.378 0.000 1.195 258 N HN 0.145 nan 8.380 nan 0.000 0.583 259 P HA -0.071 nan 4.420 nan 0.000 0.219 259 P C 0.102 177.257 177.300 -0.241 0.000 1.146 259 P CA 1.405 64.260 63.100 -0.409 0.000 0.808 259 P CB 0.131 31.668 31.700 -0.271 0.000 0.779 260 E N -1.463 118.597 120.200 -0.233 0.000 2.502 260 E HA 0.203 4.574 4.350 0.036 0.000 0.194 260 E C 1.513 178.044 176.600 -0.115 0.000 1.062 260 E CA 0.620 56.938 56.400 -0.138 0.000 0.867 260 E CB -0.860 28.776 29.700 -0.108 0.000 0.888 260 E HN 0.156 nan 8.360 nan 0.000 0.510 261 G N 0.928 109.645 108.800 -0.138 0.000 2.184 261 G HA2 -0.345 3.636 3.960 0.036 0.000 0.264 261 G HA3 -0.345 3.636 3.960 0.036 0.000 0.264 261 G C 0.409 175.250 174.900 -0.098 0.000 0.975 261 G CA 0.148 45.187 45.100 -0.102 0.000 0.642 261 G HN 0.154 nan 8.290 nan 0.000 0.536 262 K N 1.096 121.427 120.400 -0.114 0.000 2.368 262 K HA 0.586 4.928 4.320 0.036 0.000 0.282 262 K C 0.386 176.919 176.600 -0.111 0.000 1.035 262 K CA 0.587 56.804 56.287 -0.116 0.000 0.973 262 K CB 0.881 33.332 32.500 -0.081 0.000 0.957 262 K HN 0.595 nan 8.250 nan 0.000 0.474 263 A N 4.780 127.486 122.820 -0.190 0.000 2.330 263 A HA 0.592 4.934 4.320 0.036 0.000 0.327 263 A C -1.459 175.919 177.584 -0.344 0.000 1.155 263 A CA -0.576 51.366 52.037 -0.159 0.000 0.803 263 A CB 0.505 19.443 19.000 -0.103 0.000 1.208 263 A HN 0.648 nan 8.150 nan 0.000 0.477 264 Y N 0.460 120.709 120.300 -0.085 0.000 2.562 264 Y HA 0.546 5.117 4.550 0.035 0.000 0.343 264 Y C 0.316 176.052 175.900 -0.274 0.000 1.025 264 Y CA -0.490 57.589 58.100 -0.036 0.000 1.082 264 Y CB 1.997 40.476 38.460 0.033 0.000 1.264 264 Y HN 0.653 nan 8.280 nan 0.000 0.478 265 H N 2.861 122.025 119.070 0.157 0.000 2.658 265 H HA 0.508 5.087 4.556 0.039 0.000 0.337 265 H C -1.196 174.185 175.328 0.089 0.000 1.009 265 H CA -0.586 55.516 56.048 0.090 0.000 1.231 265 H CB 1.851 31.622 29.762 0.016 0.000 1.508 265 H HN 0.487 nan 8.280 nan 0.000 0.517 266 I N 2.028 122.687 120.570 0.147 0.000 2.377 266 I HA 0.511 4.702 4.170 0.036 0.000 0.293 266 I C 0.217 176.377 176.117 0.071 0.000 0.987 266 I CA -0.832 60.520 61.300 0.087 0.000 1.185 266 I CB 1.769 39.791 38.000 0.036 0.000 1.341 266 I HN 0.488 nan 8.210 nan 0.000 0.455 267 A N 4.873 127.722 122.820 0.049 0.000 2.330 267 A HA 0.931 5.272 4.320 0.036 0.000 0.327 267 A C -0.528 177.010 177.584 -0.076 0.000 1.155 267 A CA -0.530 51.516 52.037 0.015 0.000 0.803 267 A CB 1.304 20.338 19.000 0.057 0.000 1.208 267 A HN 0.866 nan 8.150 nan 0.000 0.477 268 A N 1.197 123.910 122.820 -0.178 0.000 2.398 268 A HA 0.759 5.100 4.320 0.036 0.000 0.301 268 A C -0.263 177.016 177.584 -0.507 0.000 1.041 268 A CA 0.113 51.902 52.037 -0.413 0.000 0.711 268 A CB 1.206 19.872 19.000 -0.558 0.000 1.240 268 A HN 2.194 nan 8.150 nan 0.000 0.420 269 A N 2.495 125.061 122.820 -0.423 0.000 2.256 269 A HA 0.745 5.087 4.320 0.036 0.000 0.317 269 A C -0.796 176.765 177.584 -0.039 0.000 1.318 269 A CA -0.282 51.680 52.037 -0.125 0.000 0.894 269 A CB -0.296 18.840 19.000 0.226 0.000 1.165 269 A HN 0.679 nan 8.150 nan 0.000 0.525 270 F N 3.541 123.594 119.950 0.173 0.000 2.469 270 F HA 0.456 5.006 4.527 0.038 0.000 0.332 270 F C -1.556 174.296 175.800 0.086 0.000 1.103 270 F CA -2.406 55.661 58.000 0.113 0.000 0.979 270 F CB 2.493 41.550 39.000 0.095 0.000 1.137 270 F HN 0.424 nan 8.300 nan 0.000 0.463 271 P HA 0.020 nan 4.420 nan 0.000 0.235 271 P C -0.408 176.935 177.300 0.072 0.000 1.725 271 P CA 0.201 63.346 63.100 0.075 0.000 0.894 271 P CB 0.438 32.140 31.700 0.004 0.000 1.704 272 S N 0.148 115.941 115.700 0.155 0.000 2.733 272 S HA 0.608 5.100 4.470 0.036 0.000 0.307 272 S C -0.058 174.652 174.600 0.183 0.000 1.127 272 S CA -0.510 57.761 58.200 0.118 0.000 1.097 272 S CB 0.497 63.757 63.200 0.100 0.000 1.003 272 S HN 0.269 nan 8.310 nan 0.000 0.477 273 A N 2.560 125.470 122.820 0.150 0.000 2.477 273 A HA 0.569 4.911 4.320 0.036 0.000 0.246 273 A C 1.256 178.899 177.584 0.098 0.000 1.078 273 A CA 0.187 52.314 52.037 0.149 0.000 0.770 273 A CB -0.595 18.484 19.000 0.132 0.000 1.011 273 A HN 1.416 nan 8.150 nan 0.000 0.494 274 C N 0.531 119.886 119.300 0.092 0.000 5.895 274 C HA -0.210 4.271 4.460 0.036 0.000 0.325 274 C C 2.404 177.463 174.990 0.116 0.000 2.405 274 C CA 1.003 60.063 59.018 0.071 0.000 2.170 274 C CB -1.560 26.205 27.740 0.041 0.000 3.212 274 C HN 1.452 nan 8.230 nan 0.000 0.283 275 G N 1.189 110.086 108.800 0.162 0.000 2.421 275 G HA2 -0.242 3.739 3.960 0.036 0.000 0.216 275 G HA3 -0.242 3.739 3.960 0.036 0.000 0.216 275 G C 1.255 176.382 174.900 0.378 0.000 1.171 275 G CA 1.727 46.960 45.100 0.222 0.000 0.775 275 G HN 0.928 nan 8.290 nan 0.000 0.543 276 K N -0.294 120.378 120.400 0.453 0.000 2.026 276 K HA -0.066 4.275 4.320 0.036 0.000 0.208 276 K C 2.233 178.952 176.600 0.199 0.000 1.048 276 K CA 1.876 58.387 56.287 0.374 0.000 0.929 276 K CB -0.969 31.684 32.500 0.255 0.000 0.713 276 K HN 0.157 nan 8.250 nan 0.000 0.439 277 T N 1.220 115.852 114.554 0.130 0.000 2.788 277 T HA -0.089 4.282 4.350 0.036 0.000 0.268 277 T C 1.403 176.123 174.700 0.034 0.000 1.044 277 T CA 1.893 64.016 62.100 0.038 0.000 1.139 277 T CB -0.362 68.510 68.868 0.005 0.000 0.867 277 T HN 0.421 nan 8.240 nan 0.000 0.454 278 N N 0.772 119.519 118.700 0.078 0.000 2.171 278 N HA 0.030 4.792 4.740 0.036 0.000 0.184 278 N C 1.570 177.127 175.510 0.079 0.000 1.021 278 N CA 0.473 53.560 53.050 0.061 0.000 0.854 278 N CB -0.324 38.181 38.487 0.030 0.000 0.994 278 N HN 0.119 nan 8.380 nan 0.000 0.426 279 L N 0.757 122.084 121.223 0.174 0.000 2.093 279 L HA 0.061 4.423 4.340 0.036 0.000 0.208 279 L C 2.001 178.946 176.870 0.124 0.000 1.085 279 L CA 1.228 56.186 54.840 0.197 0.000 0.755 279 L CB -0.845 41.470 42.059 0.426 0.000 0.904 279 L HN 0.160 nan 8.230 nan 0.000 0.435 280 A N 0.140 123.020 122.820 0.101 0.000 1.877 280 A HA -0.123 4.219 4.320 0.036 0.000 0.216 280 A C 1.382 178.985 177.584 0.030 0.000 1.186 280 A CA 1.899 53.974 52.037 0.062 0.000 0.620 280 A CB -0.615 18.416 19.000 0.051 0.000 0.822 280 A HN 0.540 nan 8.150 nan 0.000 0.443 281 M N -0.665 118.927 119.600 -0.013 0.000 2.386 281 M HA 0.696 5.198 4.480 0.036 0.000 0.245 281 M C -0.682 175.601 176.300 -0.028 0.000 0.982 281 M CA -0.417 54.852 55.300 -0.050 0.000 0.860 281 M CB 0.468 32.958 32.600 -0.183 0.000 1.371 281 M HN 0.384 nan 8.290 nan 0.000 0.425 282 I N -2.504 118.069 120.570 0.005 0.000 3.334 282 I HA 0.823 5.014 4.170 0.036 0.000 0.316 282 I C -1.253 174.879 176.117 0.026 0.000 1.251 282 I CA -0.653 60.656 61.300 0.014 0.000 0.929 282 I CB 2.639 40.649 38.000 0.017 0.000 1.317 282 I HN 0.172 nan 8.210 nan 0.000 0.479 283 T N 2.511 117.078 114.554 0.023 0.000 2.991 283 T HA 0.511 4.882 4.350 0.036 0.000 0.347 283 T C -2.666 172.048 174.700 0.023 0.000 1.122 283 T CA -0.891 61.227 62.100 0.030 0.000 1.062 283 T CB 0.722 69.605 68.868 0.025 0.000 1.043 283 T HN 0.461 nan 8.240 nan 0.000 0.491 284 P HA 0.184 nan 4.420 nan 0.000 0.269 284 P C 0.990 178.308 177.300 0.030 0.000 1.209 284 P CA -0.305 62.810 63.100 0.025 0.000 0.776 284 P CB 0.513 32.259 31.700 0.076 0.000 0.876 285 T N -1.201 113.349 114.554 -0.006 0.000 3.086 285 T HA 0.202 4.574 4.350 0.036 0.000 0.250 285 T C 0.677 175.387 174.700 0.016 0.000 1.074 285 T CA -0.120 61.975 62.100 -0.008 0.000 0.988 285 T CB -0.449 68.388 68.868 -0.052 0.000 0.988 285 T HN 0.341 nan 8.240 nan 0.000 0.530 286 I N 3.100 123.696 120.570 0.043 0.000 2.325 286 I HA 0.403 4.594 4.170 0.036 0.000 0.291 286 I C -2.610 173.638 176.117 0.219 0.000 1.019 286 I CA -2.997 58.363 61.300 0.101 0.000 1.302 286 I CB 1.339 39.339 38.000 0.001 0.000 1.401 286 I HN -0.087 nan 8.210 nan 0.000 0.485 287 P HA 0.187 nan 4.420 nan 0.000 0.268 287 P C 0.516 177.911 177.300 0.159 0.000 1.204 287 P CA 0.472 63.653 63.100 0.134 0.000 0.768 287 P CB 0.715 32.465 31.700 0.084 0.000 0.842 288 G N 0.419 109.274 108.800 0.093 0.000 2.189 288 G HA2 -0.240 3.742 3.960 0.036 0.000 0.267 288 G HA3 -0.240 3.742 3.960 0.036 0.000 0.267 288 G C -0.510 174.359 174.900 -0.053 0.000 0.975 288 G CA -0.451 44.652 45.100 0.005 0.000 0.644 288 G HN 0.399 nan 8.290 nan 0.000 0.537 289 W N 0.158 121.469 121.300 0.018 0.000 2.417 289 W HA 0.698 5.379 4.660 0.035 0.000 0.317 289 W C 0.496 177.025 176.519 0.016 0.000 1.121 289 W CA -0.142 57.215 57.345 0.020 0.000 1.208 289 W CB 1.805 31.275 29.460 0.018 0.000 1.253 289 W HN 0.057 nan 8.180 nan 0.000 0.533 290 T N 1.843 116.524 114.554 0.211 0.000 2.907 290 T HA 0.818 5.190 4.350 0.036 0.000 0.292 290 T C -1.226 173.559 174.700 0.141 0.000 1.043 290 T CA -0.570 61.609 62.100 0.132 0.000 1.003 290 T CB 1.263 70.167 68.868 0.060 0.000 1.084 290 T HN 0.461 nan 8.240 nan 0.000 0.483 291 A N 2.701 125.582 122.820 0.101 0.000 2.427 291 A HA 0.772 5.114 4.320 0.036 0.000 0.298 291 A C -1.112 176.510 177.584 0.063 0.000 1.036 291 A CA -0.663 51.426 52.037 0.087 0.000 0.701 291 A CB 1.525 20.576 19.000 0.086 0.000 1.250 291 A HN 0.717 nan 8.150 nan 0.000 0.412 292 Q N 0.206 120.039 119.800 0.056 0.000 2.433 292 Q HA 0.635 4.997 4.340 0.036 0.000 0.279 292 Q C -1.134 174.909 176.000 0.072 0.000 1.105 292 Q CA -0.931 54.910 55.803 0.063 0.000 0.815 292 Q CB 2.949 31.730 28.738 0.072 0.000 1.403 292 Q HN 0.603 nan 8.270 nan 0.000 0.435 293 V N 2.256 122.221 119.914 0.085 0.000 2.439 293 V HA 0.184 4.326 4.120 0.036 0.000 0.282 293 V C 0.150 176.320 176.094 0.128 0.000 1.039 293 V CA 0.106 62.468 62.300 0.104 0.000 0.913 293 V CB 1.401 33.291 31.823 0.111 0.000 0.983 293 V HN 0.785 nan 8.190 nan 0.000 0.460 294 V N 5.717 125.721 119.914 0.149 0.000 2.672 294 V HA 0.508 4.650 4.120 0.036 0.000 0.242 294 V C 0.951 177.118 176.094 0.122 0.000 1.059 294 V CA 1.066 63.474 62.300 0.180 0.000 1.081 294 V CB 0.142 32.087 31.823 0.205 0.000 0.752 294 V HN 0.951 nan 8.190 nan 0.000 0.472 295 G N 0.244 109.121 108.800 0.128 0.000 2.698 295 G HA2 0.508 4.489 3.960 0.036 0.000 0.293 295 G HA3 0.508 4.489 3.960 0.036 0.000 0.293 295 G C -1.226 173.776 174.900 0.169 0.000 1.437 295 G CA 0.383 45.561 45.100 0.130 0.000 0.852 295 G HN 0.158 nan 8.290 nan 0.000 0.499 296 D N -1.155 119.380 120.400 0.224 0.000 2.535 296 D HA 0.221 4.882 4.640 0.036 0.000 0.229 296 D C 0.133 176.481 176.300 0.080 0.000 1.238 296 D CA -0.014 54.068 54.000 0.136 0.000 0.824 296 D CB 1.208 42.049 40.800 0.068 0.000 1.045 296 D HN 0.264 nan 8.370 nan 0.000 0.500 297 D N -0.600 119.816 120.400 0.027 0.000 2.464 297 D HA 0.187 4.848 4.640 0.036 0.000 0.272 297 D C -0.262 175.937 176.300 -0.168 0.000 1.224 297 D CA 0.325 54.278 54.000 -0.079 0.000 1.118 297 D CB 1.106 41.846 40.800 -0.099 0.000 1.710 297 D HN 0.009 nan 8.370 nan 0.000 0.479 298 I N 1.576 122.078 120.570 -0.114 0.000 2.545 298 I HA 0.711 4.902 4.170 0.036 0.000 0.292 298 I C -0.638 175.470 176.117 -0.014 0.000 1.040 298 I CA -1.086 60.166 61.300 -0.081 0.000 1.068 298 I CB 1.350 39.273 38.000 -0.129 0.000 1.251 298 I HN 0.048 nan 8.210 nan 0.000 0.424 299 A N 5.799 128.696 122.820 0.129 0.000 2.381 299 A HA 0.688 5.029 4.320 0.036 0.000 0.299 299 A C -1.879 175.986 177.584 0.469 0.000 1.049 299 A CA -0.464 51.684 52.037 0.184 0.000 0.715 299 A CB 0.951 20.052 19.000 0.169 0.000 1.222 299 A HN 0.564 nan 8.150 nan 0.000 0.428 300 W N 2.665 124.057 121.300 0.154 0.000 2.361 300 W HA 0.649 5.338 4.660 0.048 0.000 0.309 300 W C -0.850 175.767 176.519 0.162 0.000 1.122 300 W CA -0.777 56.708 57.345 0.233 0.000 1.208 300 W CB 1.057 30.571 29.460 0.091 0.000 1.246 300 W HN 0.458 nan 8.180 nan 0.000 0.490 301 L N 3.061 124.564 121.223 0.466 0.000 2.309 301 L HA 0.746 5.107 4.340 0.036 0.000 0.261 301 L C -0.163 176.860 176.870 0.255 0.000 1.021 301 L CA -1.188 53.819 54.840 0.280 0.000 0.823 301 L CB 1.767 43.948 42.059 0.202 0.000 1.366 301 L HN 0.354 nan 8.230 nan 0.000 0.423 302 K N 0.528 121.020 120.400 0.152 0.000 2.598 302 K HA 0.521 4.863 4.320 0.036 0.000 0.271 302 K C -1.889 174.743 176.600 0.053 0.000 0.947 302 K CA -0.805 55.548 56.287 0.109 0.000 0.854 302 K CB 1.166 33.699 32.500 0.055 0.000 1.401 302 K HN 0.487 nan 8.250 nan 0.000 0.415 303 L N 3.329 124.560 121.223 0.013 0.000 2.410 303 L HA 0.365 4.726 4.340 0.036 0.000 0.273 303 L C 0.314 177.147 176.870 -0.061 0.000 1.152 303 L CA -0.079 54.751 54.840 -0.017 0.000 0.855 303 L CB 0.454 42.484 42.059 -0.048 0.000 1.129 303 L HN 0.604 nan 8.230 nan 0.000 0.463 304 R N 1.622 122.074 120.500 -0.081 0.000 2.950 304 R HA 0.306 4.668 4.340 0.036 0.000 0.253 304 R C 0.490 176.737 176.300 -0.089 0.000 1.168 304 R CA -1.027 54.967 56.100 -0.177 0.000 1.014 304 R CB 0.825 30.832 30.300 -0.489 0.000 1.228 304 R HN 0.380 nan 8.270 nan 0.000 0.487 305 E N 1.278 121.417 120.200 -0.103 0.000 2.136 305 E HA -0.259 4.112 4.350 0.036 0.000 0.208 305 E C 0.860 177.458 176.600 -0.005 0.000 1.035 305 E CA 2.180 58.551 56.400 -0.049 0.000 0.838 305 E CB -0.139 29.531 29.700 -0.050 0.000 0.748 305 E HN 0.639 nan 8.360 nan 0.000 0.459 306 D N -1.432 118.994 120.400 0.043 0.000 2.440 306 D HA 0.241 4.902 4.640 0.036 0.000 0.216 306 D C 0.754 177.128 176.300 0.124 0.000 1.150 306 D CA 0.505 54.556 54.000 0.084 0.000 0.832 306 D CB 0.386 41.241 40.800 0.091 0.000 0.992 306 D HN 0.156 nan 8.370 nan 0.000 0.502 307 G N -0.170 108.725 108.800 0.158 0.000 2.343 307 G HA2 0.299 4.280 3.960 0.036 0.000 0.289 307 G HA3 0.299 4.280 3.960 0.036 0.000 0.289 307 G C -2.267 172.754 174.900 0.201 0.000 1.295 307 G CA -0.799 44.381 45.100 0.133 0.000 0.869 307 G HN 0.184 nan 8.290 nan 0.000 0.522 308 L N 0.487 121.788 121.223 0.130 0.000 2.272 308 L HA 0.810 5.171 4.340 0.036 0.000 0.289 308 L C -1.279 175.709 176.870 0.196 0.000 1.032 308 L CA -0.849 54.073 54.840 0.136 0.000 0.810 308 L CB 0.665 42.736 42.059 0.021 0.000 1.205 308 L HN 0.492 nan 8.230 nan 0.000 0.422 309 Y N 3.649 123.927 120.300 -0.037 0.000 2.409 309 Y HA 0.767 5.344 4.550 0.045 0.000 0.339 309 Y C 0.328 176.218 175.900 -0.016 0.000 1.033 309 Y CA -0.808 57.260 58.100 -0.054 0.000 1.094 309 Y CB 1.887 40.288 38.460 -0.099 0.000 1.210 309 Y HN 0.692 nan 8.280 nan 0.000 0.456 310 A N 2.397 125.279 122.820 0.104 0.000 2.340 310 A HA 0.881 5.223 4.320 0.036 0.000 0.331 310 A C -1.363 176.261 177.584 0.066 0.000 1.140 310 A CA -0.673 51.428 52.037 0.107 0.000 0.801 310 A CB 0.989 20.050 19.000 0.103 0.000 1.234 310 A HN 0.505 nan 8.150 nan 0.000 0.469 311 V N 1.822 121.778 119.914 0.070 0.000 2.735 311 V HA 0.337 4.479 4.120 0.036 0.000 0.310 311 V C -0.249 175.809 176.094 -0.061 0.000 1.061 311 V CA -1.040 61.264 62.300 0.008 0.000 0.913 311 V CB 2.015 33.831 31.823 -0.012 0.000 1.005 311 V HN 0.910 nan 8.190 nan 0.000 0.428 312 N N 5.544 124.198 118.700 -0.078 0.000 2.401 312 N HA 0.248 5.009 4.740 0.036 0.000 0.255 312 N C -1.539 173.782 175.510 -0.314 0.000 1.110 312 N CA -1.904 51.054 53.050 -0.153 0.000 0.949 312 N CB 1.549 40.016 38.487 -0.033 0.000 1.110 312 N HN 0.346 nan 8.380 nan 0.000 0.490 313 P HA -0.007 nan 4.420 nan 0.000 0.242 313 P C -0.669 176.343 177.300 -0.479 0.000 1.197 313 P CA 0.821 63.405 63.100 -0.859 0.000 0.765 313 P CB 0.346 31.058 31.700 -1.647 0.000 0.936 314 E N -0.675 119.329 120.200 -0.326 0.000 2.249 314 E HA 0.279 4.650 4.350 0.036 0.000 0.263 314 E C 0.216 176.711 176.600 -0.176 0.000 0.950 314 E CA -0.699 55.558 56.400 -0.238 0.000 0.827 314 E CB 0.680 30.241 29.700 -0.231 0.000 1.220 314 E HN -0.242 nan 8.360 nan 0.000 0.411 315 N N -0.520 118.075 118.700 -0.175 0.000 2.197 315 N HA 0.177 4.939 4.740 0.036 0.000 0.201 315 N C -0.568 174.789 175.510 -0.255 0.000 1.148 315 N CA 0.134 53.101 53.050 -0.137 0.000 0.883 315 N CB 1.274 39.710 38.487 -0.085 0.000 1.012 315 N HN 0.518 nan 8.380 nan 0.000 0.507 316 G N -1.262 107.351 108.800 -0.313 0.000 2.725 316 G HA2 0.526 4.508 3.960 0.036 0.000 0.288 316 G HA3 0.526 4.508 3.960 0.036 0.000 0.288 316 G C -1.399 173.243 174.900 -0.430 0.000 1.399 316 G CA -0.680 44.181 45.100 -0.398 0.000 0.859 316 G HN 0.023 nan 8.290 nan 0.000 0.479 317 F N -0.409 119.514 119.950 -0.045 0.000 2.397 317 F HA 0.605 5.154 4.527 0.036 0.000 0.331 317 F C -0.273 175.497 175.800 -0.051 0.000 1.090 317 F CA -0.547 57.432 58.000 -0.035 0.000 1.065 317 F CB 2.007 41.024 39.000 0.029 0.000 1.184 317 F HN 0.268 nan 8.300 nan 0.000 0.499 318 F N 2.304 122.185 119.950 -0.114 0.000 2.794 318 F HA 0.540 5.089 4.527 0.037 0.000 0.353 318 F C -0.098 175.450 175.800 -0.420 0.000 1.371 318 F CA -0.712 57.122 58.000 -0.276 0.000 1.173 318 F CB 0.183 39.077 39.000 -0.177 0.000 1.693 318 F HN 0.416 nan 8.300 nan 0.000 0.606 319 G N 1.467 109.609 108.800 -1.096 0.000 2.437 319 G HA2 0.506 4.487 3.960 0.036 0.000 0.319 319 G HA3 0.506 4.487 3.960 0.036 0.000 0.319 319 G C -1.062 173.305 174.900 -0.889 0.000 1.158 319 G CA -0.701 43.810 45.100 -0.982 0.000 0.899 319 G HN 0.183 nan 8.290 nan 0.000 0.502 320 V N 1.412 121.067 119.914 -0.433 0.000 2.508 320 V HA 0.314 4.455 4.120 0.036 0.000 0.281 320 V C 1.330 177.239 176.094 -0.309 0.000 1.041 320 V CA 0.592 62.698 62.300 -0.322 0.000 1.016 320 V CB 0.858 32.577 31.823 -0.173 0.000 0.984 320 V HN 0.981 nan 8.190 nan 0.000 0.478 321 A N 7.737 130.297 122.820 -0.433 0.000 1.878 321 A HA 0.226 4.568 4.320 0.036 0.000 0.213 321 A C -1.384 175.517 177.584 -1.138 0.000 1.192 321 A CA 0.356 51.880 52.037 -0.854 0.000 0.619 321 A CB -1.019 17.252 19.000 -1.214 0.000 0.837 321 A HN 0.699 nan 8.150 nan 0.000 0.446 322 P HA 0.164 nan 4.420 nan 0.000 0.257 322 P C 0.746 177.963 177.300 -0.138 0.000 1.162 322 P CA 2.230 65.163 63.100 -0.277 0.000 0.762 322 P CB 0.006 31.611 31.700 -0.159 0.000 0.753 323 G N 1.750 110.567 108.800 0.028 0.000 2.157 323 G HA2 -0.197 3.784 3.960 0.036 0.000 0.239 323 G HA3 -0.197 3.784 3.960 0.036 0.000 0.239 323 G C 0.148 175.108 174.900 0.100 0.000 0.982 323 G CA -0.120 45.022 45.100 0.070 0.000 0.650 323 G HN 0.561 nan 8.290 nan 0.000 0.527 324 T N 1.487 116.133 114.554 0.154 0.000 2.767 324 T HA 0.601 4.973 4.350 0.036 0.000 0.288 324 T C 0.155 175.016 174.700 0.268 0.000 0.963 324 T CA 0.400 62.594 62.100 0.157 0.000 1.019 324 T CB 1.352 70.231 68.868 0.018 0.000 0.923 324 T HN 1.038 nan 8.240 nan 0.000 0.468 325 N N 0.857 119.587 118.700 0.050 0.000 3.116 325 N HA 0.225 4.987 4.740 0.036 0.000 0.244 325 N C -0.266 175.183 175.510 -0.102 0.000 1.485 325 N CA -0.949 52.080 53.050 -0.034 0.000 0.884 325 N CB 0.302 38.792 38.487 0.006 0.000 1.415 325 N HN 0.252 nan 8.380 nan 0.000 0.524 326 Y N -0.277 120.004 120.300 -0.031 0.000 2.200 326 Y HA 0.256 4.828 4.550 0.036 0.000 0.290 326 Y C 1.362 177.229 175.900 -0.054 0.000 1.137 326 Y CA 1.501 59.578 58.100 -0.037 0.000 1.163 326 Y CB -0.094 38.342 38.460 -0.041 0.000 0.988 326 Y HN 0.707 nan 8.280 nan 0.000 0.518 327 A N -0.375 122.495 122.820 0.082 0.000 2.666 327 A HA 0.520 4.862 4.320 0.036 0.000 0.312 327 A C 0.931 178.428 177.584 -0.145 0.000 1.471 327 A CA 0.761 52.773 52.037 -0.042 0.000 1.134 327 A CB -0.226 18.731 19.000 -0.071 0.000 1.129 327 A HN 0.381 nan 8.150 nan 0.000 0.539 328 S N 1.791 117.415 115.700 -0.127 0.000 3.291 328 S HA -0.138 4.353 4.470 0.036 0.000 0.230 328 S C -0.131 174.523 174.600 0.091 0.000 0.814 328 S CA 0.489 58.646 58.200 -0.071 0.000 0.922 328 S CB -0.979 62.181 63.200 -0.066 0.000 0.750 328 S HN 0.968 nan 8.310 nan 0.000 0.495 329 N N 1.341 120.050 118.700 0.015 0.000 2.679 329 N HA 0.355 5.117 4.740 0.036 0.000 0.240 329 N C -2.543 172.905 175.510 -0.102 0.000 1.537 329 N CA -0.560 52.479 53.050 -0.019 0.000 0.793 329 N CB 1.623 40.102 38.487 -0.014 0.000 1.391 329 N HN 0.375 nan 8.380 nan 0.000 0.524 330 P HA -0.064 nan 4.420 nan 0.000 0.221 330 P C 1.562 178.808 177.300 -0.091 0.000 1.145 330 P CA 0.610 63.675 63.100 -0.057 0.000 0.795 330 P CB 0.898 32.665 31.700 0.112 0.000 0.775 331 I N 0.497 121.025 120.570 -0.069 0.000 2.286 331 I HA -0.159 4.032 4.170 0.036 0.000 0.245 331 I C 2.676 178.718 176.117 -0.125 0.000 1.104 331 I CA 1.338 62.598 61.300 -0.067 0.000 1.397 331 I CB -0.990 36.983 38.000 -0.044 0.000 1.072 331 I HN -0.116 nan 8.210 nan 0.000 0.417 332 A N 0.320 123.031 122.820 -0.182 0.000 1.917 332 A HA -0.244 4.098 4.320 0.036 0.000 0.219 332 A C 2.305 179.723 177.584 -0.277 0.000 1.182 332 A CA 1.758 53.642 52.037 -0.255 0.000 0.633 332 A CB -0.505 18.327 19.000 -0.279 0.000 0.819 332 A HN 0.297 nan 8.150 nan 0.000 0.448 333 M N -0.379 119.027 119.600 -0.324 0.000 2.099 333 M HA -0.108 4.394 4.480 0.036 0.000 0.262 333 M C 1.967 178.145 176.300 -0.203 0.000 1.067 333 M CA 1.737 56.782 55.300 -0.425 0.000 1.124 333 M CB -1.239 30.665 32.600 -1.161 0.000 1.353 333 M HN 0.423 nan 8.290 nan 0.000 0.410 334 K N -0.311 120.029 120.400 -0.100 0.000 2.002 334 K HA -0.091 4.250 4.320 0.036 0.000 0.209 334 K C 1.982 178.593 176.600 0.018 0.000 1.048 334 K CA 1.877 58.183 56.287 0.031 0.000 0.930 334 K CB -0.617 31.923 32.500 0.067 0.000 0.714 334 K HN 0.264 nan 8.250 nan 0.000 0.438 335 T N 1.671 116.222 114.554 -0.004 0.000 2.653 335 T HA -0.239 4.132 4.350 0.036 0.000 0.267 335 T C 1.697 176.414 174.700 0.029 0.000 1.037 335 T CA 2.027 64.141 62.100 0.024 0.000 1.159 335 T CB -0.216 68.671 68.868 0.032 0.000 0.859 335 T HN 0.246 nan 8.240 nan 0.000 0.449 336 M N 0.051 119.654 119.600 0.005 0.000 2.495 336 M HA 0.181 4.682 4.480 0.036 0.000 0.237 336 M C 2.058 178.414 176.300 0.093 0.000 1.131 336 M CA 0.216 55.546 55.300 0.049 0.000 1.032 336 M CB -0.031 32.613 32.600 0.073 0.000 1.513 336 M HN 0.232 nan 8.290 nan 0.000 0.488 337 E N 1.632 121.876 120.200 0.074 0.000 2.048 337 E HA -0.217 4.155 4.350 0.036 0.000 0.202 337 E C -0.826 175.821 176.600 0.078 0.000 1.021 337 E CA 1.708 58.163 56.400 0.090 0.000 0.825 337 E CB -0.757 29.000 29.700 0.094 0.000 0.756 337 E HN 0.324 nan 8.360 nan 0.000 0.454 338 P HA -0.031 nan 4.420 nan 0.000 0.226 338 P C 0.340 177.673 177.300 0.055 0.000 1.146 338 P CA 1.412 64.541 63.100 0.048 0.000 0.773 338 P CB 0.058 31.776 31.700 0.031 0.000 0.772 339 G N -0.495 108.351 108.800 0.078 0.000 2.481 339 G HA2 -0.248 3.733 3.960 0.036 0.000 0.230 339 G HA3 -0.248 3.733 3.960 0.036 0.000 0.230 339 G C -0.096 174.841 174.900 0.061 0.000 1.210 339 G CA -0.094 45.061 45.100 0.093 0.000 0.936 339 G HN 0.094 nan 8.290 nan 0.000 0.583 340 N N -0.896 117.843 118.700 0.066 0.000 2.778 340 N HA -0.170 4.591 4.740 0.036 0.000 0.249 340 N C 0.401 175.936 175.510 0.041 0.000 1.069 340 N CA 2.004 55.072 53.050 0.030 0.000 0.831 340 N CB -1.813 36.633 38.487 -0.068 0.000 1.142 340 N HN 1.203 nan 8.380 nan 0.000 0.573 341 T N 1.254 115.822 114.554 0.024 0.000 2.806 341 T HA 0.485 4.856 4.350 0.036 0.000 0.290 341 T C 0.805 175.440 174.700 -0.108 0.000 0.966 341 T CA -0.481 61.525 62.100 -0.156 0.000 1.060 341 T CB 1.960 70.552 68.868 -0.460 0.000 0.927 341 T HN 0.087 nan 8.240 nan 0.000 0.485 342 L N 4.289 125.471 121.223 -0.067 0.000 2.270 342 L HA 0.423 4.784 4.340 0.036 0.000 0.286 342 L C -0.866 175.952 176.870 -0.087 0.000 1.059 342 L CA -0.649 54.216 54.840 0.041 0.000 0.839 342 L CB -0.070 42.042 42.059 0.087 0.000 1.221 342 L HN 0.609 nan 8.230 nan 0.000 0.431 343 F N 1.671 121.782 119.950 0.269 0.000 2.384 343 F HA 0.301 4.850 4.527 0.037 0.000 0.338 343 F C 0.817 176.757 175.800 0.233 0.000 1.103 343 F CA -0.297 57.839 58.000 0.226 0.000 1.157 343 F CB 1.329 40.477 39.000 0.246 0.000 1.167 343 F HN 0.240 nan 8.300 nan 0.000 0.529 344 T N 3.653 118.414 114.554 0.344 0.000 2.833 344 T HA 0.220 4.592 4.350 0.036 0.000 0.297 344 T C -0.342 174.456 174.700 0.163 0.000 1.015 344 T CA -0.806 61.459 62.100 0.275 0.000 0.963 344 T CB 0.469 69.511 68.868 0.289 0.000 0.955 344 T HN 0.615 nan 8.240 nan 0.000 0.449 345 N N 0.706 119.497 118.700 0.151 0.000 2.754 345 N HA -0.136 4.625 4.740 0.036 0.000 0.248 345 N C 0.192 175.760 175.510 0.098 0.000 1.093 345 N CA 0.984 54.089 53.050 0.092 0.000 0.699 345 N CB -1.721 36.615 38.487 -0.252 0.000 1.016 345 N HN 0.667 nan 8.380 nan 0.000 0.552 346 V N -3.219 116.804 119.914 0.182 0.000 3.463 346 V HA 0.928 5.070 4.120 0.036 0.000 0.302 346 V C 0.857 177.065 176.094 0.191 0.000 1.097 346 V CA -0.483 61.933 62.300 0.193 0.000 1.003 346 V CB 1.541 33.527 31.823 0.271 0.000 1.229 346 V HN 0.281 nan 8.190 nan 0.000 0.444 347 A N 0.974 123.885 122.820 0.152 0.000 2.310 347 A HA 0.725 5.066 4.320 0.036 0.000 0.299 347 A C -0.578 177.037 177.584 0.052 0.000 1.147 347 A CA -0.526 51.557 52.037 0.077 0.000 0.818 347 A CB 0.773 19.750 19.000 -0.039 0.000 1.096 347 A HN 0.994 nan 8.150 nan 0.000 0.495 348 L N 1.457 122.702 121.223 0.037 0.000 2.326 348 L HA 0.470 4.832 4.340 0.036 0.000 0.278 348 L C 0.559 177.431 176.870 0.004 0.000 1.092 348 L CA 0.723 55.583 54.840 0.033 0.000 0.810 348 L CB 1.336 43.431 42.059 0.060 0.000 1.153 348 L HN 0.711 nan 8.230 nan 0.000 0.439 349 T N 3.032 117.591 114.554 0.009 0.000 2.875 349 T HA 0.141 4.513 4.350 0.036 0.000 0.284 349 T C 0.695 175.419 174.700 0.039 0.000 0.995 349 T CA -0.327 61.775 62.100 0.002 0.000 1.060 349 T CB 1.008 69.869 68.868 -0.012 0.000 0.967 349 T HN 0.644 nan 8.240 nan 0.000 0.476 350 D N 2.102 122.541 120.400 0.066 0.000 2.218 350 D HA -0.170 4.491 4.640 0.036 0.000 0.194 350 D C 1.391 177.718 176.300 0.045 0.000 1.007 350 D CA 1.782 55.830 54.000 0.080 0.000 0.879 350 D CB -0.122 40.726 40.800 0.081 0.000 0.918 350 D HN 0.775 nan 8.370 nan 0.000 0.449 351 D N -1.957 118.460 120.400 0.028 0.000 2.319 351 D HA 0.269 4.930 4.640 0.036 0.000 0.230 351 D C 1.369 177.682 176.300 0.022 0.000 1.094 351 D CA 0.562 54.574 54.000 0.020 0.000 0.856 351 D CB -0.008 40.798 40.800 0.010 0.000 0.915 351 D HN 0.182 nan 8.370 nan 0.000 0.517 352 G N 0.184 109.001 108.800 0.029 0.000 2.155 352 G HA2 -0.320 3.661 3.960 0.036 0.000 0.257 352 G HA3 -0.320 3.661 3.960 0.036 0.000 0.257 352 G C 0.175 175.090 174.900 0.024 0.000 0.983 352 G CA 0.419 45.539 45.100 0.033 0.000 0.676 352 G HN 0.494 nan 8.290 nan 0.000 0.528 353 D N 0.057 120.460 120.400 0.006 0.000 2.453 353 D HA 0.590 5.251 4.640 0.036 0.000 0.282 353 D C 1.134 177.400 176.300 -0.057 0.000 1.222 353 D CA 0.165 54.152 54.000 -0.021 0.000 1.079 353 D CB 0.525 41.305 40.800 -0.033 0.000 1.128 353 D HN 0.564 nan 8.370 nan 0.000 0.568 354 I N -2.690 117.781 120.570 -0.164 0.000 2.910 354 I HA 0.703 4.894 4.170 0.036 0.000 0.310 354 I C -0.999 174.991 176.117 -0.210 0.000 1.043 354 I CA -0.901 60.271 61.300 -0.212 0.000 1.053 354 I CB 1.585 39.307 38.000 -0.463 0.000 1.242 354 I HN 0.388 nan 8.210 nan 0.000 0.452 355 W N 3.092 124.188 121.300 -0.341 0.000 3.118 355 W HA 0.733 5.414 4.660 0.037 0.000 0.328 355 W C -2.317 174.085 176.519 -0.196 0.000 1.239 355 W CA -0.315 56.755 57.345 -0.458 0.000 1.176 355 W CB 1.847 31.102 29.460 -0.341 0.000 1.433 355 W HN 0.795 nan 8.180 nan 0.000 0.562 356 W N 2.285 123.068 121.300 -0.861 0.000 3.146 356 W HA 0.627 5.309 4.660 0.037 0.000 0.319 356 W C -1.019 174.615 176.519 -1.475 0.000 1.258 356 W CA -1.229 55.629 57.345 -0.811 0.000 1.189 356 W CB 0.193 29.385 29.460 -0.446 0.000 1.412 356 W HN 0.235 nan 8.180 nan 0.000 0.567 357 E N 1.103 121.011 120.200 -0.485 0.000 2.529 357 E HA 0.360 4.731 4.350 0.036 0.000 0.259 357 E C 1.177 177.669 176.600 -0.181 0.000 0.966 357 E CA 2.664 58.871 56.400 -0.321 0.000 0.937 357 E CB 0.264 29.979 29.700 0.024 0.000 0.923 357 E HN 1.088 nan 8.360 nan 0.000 0.468 358 G N 2.643 111.338 108.800 -0.175 0.000 2.241 358 G HA2 -0.374 3.607 3.960 0.036 0.000 0.244 358 G HA3 -0.374 3.607 3.960 0.036 0.000 0.244 358 G C 0.463 175.275 174.900 -0.148 0.000 0.998 358 G CA 0.106 45.173 45.100 -0.054 0.000 0.621 358 G HN 0.531 nan 8.290 nan 0.000 0.519 359 M N 2.282 121.562 119.600 -0.534 0.000 2.226 359 M HA 0.288 4.789 4.480 0.036 0.000 0.352 359 M C 1.434 177.623 176.300 -0.185 0.000 1.226 359 M CA 1.510 56.431 55.300 -0.633 0.000 0.943 359 M CB 0.260 32.094 32.600 -1.277 0.000 1.805 359 M HN 0.304 nan 8.290 nan 0.000 0.465 360 D N 2.366 122.725 120.400 -0.069 0.000 2.160 360 D HA -0.119 4.542 4.640 0.036 0.000 0.189 360 D C 0.951 177.289 176.300 0.064 0.000 1.003 360 D CA 2.010 56.026 54.000 0.026 0.000 0.846 360 D CB -0.468 40.373 40.800 0.069 0.000 0.949 360 D HN 0.776 nan 8.370 nan 0.000 0.446 361 G N -1.319 107.541 108.800 0.100 0.000 2.557 361 G HA2 0.307 4.288 3.960 0.036 0.000 0.292 361 G HA3 0.307 4.288 3.960 0.036 0.000 0.292 361 G C 0.052 175.045 174.900 0.155 0.000 1.237 361 G CA 0.043 45.205 45.100 0.104 0.000 0.978 361 G HN 0.134 nan 8.290 nan 0.000 0.498 362 D N -0.163 120.291 120.400 0.090 0.000 4.333 362 D HA -0.211 4.450 4.640 0.036 0.000 0.358 362 D C 0.925 177.265 176.300 0.066 0.000 0.472 362 D CA 4.442 58.477 54.000 0.057 0.000 1.185 362 D CB -0.705 40.103 40.800 0.012 0.000 0.581 362 D HN 1.939 nan 8.370 nan 0.000 0.288 363 A N -1.902 120.919 122.820 0.003 0.000 2.351 363 A HA 0.114 4.455 4.320 0.036 0.000 0.603 363 A C -2.523 174.895 177.584 -0.277 0.000 0.487 363 A CA -0.024 51.862 52.037 -0.251 0.000 0.336 363 A CB -1.242 17.762 19.000 0.006 0.000 3.458 363 A HN 0.271 nan 8.150 nan 0.000 0.488 364 P HA 0.410 nan 4.420 nan 0.000 0.268 364 P C 1.204 178.448 177.300 -0.093 0.000 1.205 364 P CA 0.509 63.468 63.100 -0.234 0.000 0.771 364 P CB 0.947 32.465 31.700 -0.302 0.000 0.858 365 A N 2.501 125.294 122.820 -0.045 0.000 1.940 365 A HA -0.151 4.191 4.320 0.036 0.000 0.219 365 A C 1.223 178.842 177.584 0.059 0.000 1.176 365 A CA 1.328 53.355 52.037 -0.016 0.000 0.631 365 A CB -0.816 18.180 19.000 -0.008 0.000 0.814 365 A HN 0.765 nan 8.150 nan 0.000 0.446 366 H N -1.384 117.682 119.070 -0.007 0.000 2.622 366 H HA 0.732 5.309 4.556 0.036 0.000 0.363 366 H C -1.575 173.813 175.328 0.100 0.000 1.151 366 H CA -0.683 55.395 56.048 0.049 0.000 1.184 366 H CB 1.214 30.988 29.762 0.019 0.000 1.643 366 H HN 0.211 nan 8.280 nan 0.000 0.531 367 L N 3.648 124.559 121.223 -0.521 0.000 2.403 367 L HA 0.397 4.759 4.340 0.036 0.000 0.253 367 L C -0.881 175.732 176.870 -0.429 0.000 1.045 367 L CA -1.123 53.506 54.840 -0.351 0.000 0.845 367 L CB 2.468 44.402 42.059 -0.208 0.000 1.447 367 L HN 0.482 nan 8.230 nan 0.000 0.411 368 I N 0.977 121.456 120.570 -0.151 0.000 2.339 368 I HA 0.225 4.417 4.170 0.036 0.000 0.290 368 I C -0.424 175.676 176.117 -0.028 0.000 0.994 368 I CA -0.253 61.026 61.300 -0.035 0.000 1.191 368 I CB 1.354 39.381 38.000 0.045 0.000 1.343 368 I HN 0.526 nan 8.210 nan 0.000 0.458 369 D N 5.389 125.781 120.400 -0.013 0.000 2.451 369 D HA 0.014 4.676 4.640 0.036 0.000 0.259 369 D C 1.032 177.354 176.300 0.037 0.000 1.201 369 D CA -0.621 53.362 54.000 -0.029 0.000 1.028 369 D CB 0.329 41.105 40.800 -0.040 0.000 1.095 369 D HN 0.662 nan 8.370 nan 0.000 0.539 370 W N -0.156 121.129 121.300 -0.024 0.000 2.468 370 W HA -0.066 4.616 4.660 0.037 0.000 0.262 370 W C 0.728 177.237 176.519 -0.017 0.000 1.241 370 W CA 0.216 57.556 57.345 -0.008 0.000 1.232 370 W CB -0.741 28.719 29.460 0.001 0.000 1.124 370 W HN 0.215 nan 8.180 nan 0.000 0.597 371 M N 0.591 119.845 119.600 -0.576 0.000 2.428 371 M HA 0.241 4.743 4.480 0.036 0.000 0.239 371 M C 1.815 177.967 176.300 -0.247 0.000 1.121 371 M CA 1.237 56.173 55.300 -0.605 0.000 1.019 371 M CB 0.315 32.439 32.600 -0.793 0.000 1.485 371 M HN 0.205 nan 8.290 nan 0.000 0.484 372 G N 0.238 108.964 108.800 -0.124 0.000 2.307 372 G HA2 -0.204 3.777 3.960 0.036 0.000 0.210 372 G HA3 -0.204 3.777 3.960 0.036 0.000 0.210 372 G C -0.043 174.851 174.900 -0.011 0.000 1.005 372 G CA -0.507 44.570 45.100 -0.039 0.000 0.634 372 G HN 0.425 nan 8.290 nan 0.000 0.496 373 N N 2.302 120.982 118.700 -0.034 0.000 2.503 373 N HA 0.354 5.115 4.740 0.036 0.000 0.267 373 N C -0.372 175.182 175.510 0.073 0.000 1.214 373 N CA -0.177 52.883 53.050 0.017 0.000 0.959 373 N CB 0.604 39.091 38.487 -0.000 0.000 1.142 373 N HN 0.296 nan 8.380 nan 0.000 0.455 374 D N 0.016 120.486 120.400 0.118 0.000 2.400 374 D HA 0.092 4.754 4.640 0.036 0.000 0.238 374 D C -0.237 176.162 176.300 0.165 0.000 1.157 374 D CA 0.608 54.719 54.000 0.185 0.000 0.889 374 D CB 0.792 41.783 40.800 0.318 0.000 1.199 374 D HN 0.489 nan 8.370 nan 0.000 0.436 375 W N 0.619 121.826 121.300 -0.155 0.000 3.296 375 W HA 0.346 5.028 4.660 0.036 0.000 0.314 375 W C -1.229 175.198 176.519 -0.154 0.000 1.238 375 W CA -0.408 56.864 57.345 -0.122 0.000 1.193 375 W CB 1.145 30.537 29.460 -0.115 0.000 1.383 375 W HN 0.418 nan 8.180 nan 0.000 0.545 376 T N 1.169 115.178 114.554 -0.907 0.000 2.841 376 T HA 0.501 4.872 4.350 0.036 0.000 0.296 376 T C -2.699 170.984 174.700 -1.695 0.000 1.166 376 T CA -1.711 59.863 62.100 -0.877 0.000 1.007 376 T CB 2.203 70.845 68.868 -0.376 0.000 1.253 376 T HN 0.172 nan 8.240 nan 0.000 0.511 377 P HA 0.047 nan 4.420 nan 0.000 0.239 377 P C 1.160 178.206 177.300 -0.423 0.000 1.184 377 P CA 0.405 63.096 63.100 -0.682 0.000 0.760 377 P CB 0.006 31.558 31.700 -0.246 0.000 0.884 378 E N -0.359 119.580 120.200 -0.435 0.000 2.072 378 E HA -0.048 4.323 4.350 0.036 0.000 0.190 378 E C 0.490 176.934 176.600 -0.261 0.000 0.982 378 E CA 0.630 56.866 56.400 -0.273 0.000 0.803 378 E CB -0.977 28.595 29.700 -0.213 0.000 0.755 378 E HN 0.191 nan 8.360 nan 0.000 0.453 379 S N 2.292 117.747 115.700 -0.408 0.000 2.563 379 S HA -0.011 4.480 4.470 0.036 0.000 0.284 379 S C 0.382 174.927 174.600 -0.092 0.000 1.331 379 S CA -0.161 57.880 58.200 -0.266 0.000 1.047 379 S CB 0.689 63.648 63.200 -0.401 0.000 0.859 379 S HN 0.170 nan 8.310 nan 0.000 0.514 380 D N 0.867 121.270 120.400 0.004 0.000 2.354 380 D HA 0.050 4.712 4.640 0.036 0.000 0.209 380 D C 0.148 176.532 176.300 0.141 0.000 1.015 380 D CA 0.416 54.457 54.000 0.068 0.000 0.867 380 D CB 0.236 41.062 40.800 0.043 0.000 0.933 380 D HN 0.626 nan 8.370 nan 0.000 0.520 381 E N 1.541 121.848 120.200 0.178 0.000 2.283 381 E HA 0.133 4.505 4.350 0.036 0.000 0.278 381 E C -0.140 176.688 176.600 0.381 0.000 1.027 381 E CA -0.678 55.861 56.400 0.232 0.000 0.843 381 E CB 0.742 30.563 29.700 0.201 0.000 1.062 381 E HN -0.033 nan 8.360 nan 0.000 0.401 382 N N 1.492 120.381 118.700 0.314 0.000 2.353 382 N HA -0.094 4.668 4.740 0.036 0.000 0.248 382 N C 0.565 176.223 175.510 0.247 0.000 1.240 382 N CA 0.291 53.523 53.050 0.305 0.000 0.862 382 N CB 0.673 39.258 38.487 0.164 0.000 1.086 382 N HN 0.614 nan 8.380 nan 0.000 0.453 383 A N 2.111 124.874 122.820 -0.096 0.000 1.835 383 A HA 0.093 4.434 4.320 0.036 0.000 0.215 383 A C 0.874 178.498 177.584 0.067 0.000 1.199 383 A CA 1.563 53.312 52.037 -0.479 0.000 0.615 383 A CB -0.726 17.682 19.000 -0.987 0.000 0.838 383 A HN 0.748 nan 8.150 nan 0.000 0.444 384 A N -0.271 122.600 122.820 0.085 0.000 2.289 384 A HA 0.469 4.811 4.320 0.036 0.000 0.298 384 A C 0.180 177.719 177.584 -0.074 0.000 1.208 384 A CA -0.487 51.592 52.037 0.070 0.000 0.845 384 A CB -0.240 18.816 19.000 0.093 0.000 1.125 384 A HN 0.549 nan 8.150 nan 0.000 0.517 385 H N 3.907 122.663 119.070 -0.524 0.000 3.064 385 H HA -0.003 4.574 4.556 0.036 0.000 0.329 385 H C -1.573 173.547 175.328 -0.348 0.000 1.020 385 H CA -0.480 55.149 56.048 -0.698 0.000 1.402 385 H CB 0.994 29.968 29.762 -1.314 0.000 1.379 385 H HN 0.354 nan 8.280 nan 0.000 0.594 386 P HA -0.145 nan 4.420 nan 0.000 0.218 386 P C 0.927 178.091 177.300 -0.226 0.000 1.148 386 P CA 1.331 64.214 63.100 -0.361 0.000 0.822 386 P CB 0.223 31.705 31.700 -0.363 0.000 0.784 387 N N -0.516 118.131 118.700 -0.088 0.000 2.362 387 N HA -0.010 4.752 4.740 0.036 0.000 0.204 387 N C -0.322 175.202 175.510 0.023 0.000 1.166 387 N CA -0.109 52.992 53.050 0.084 0.000 0.831 387 N CB -0.442 38.163 38.487 0.196 0.000 1.008 387 N HN 0.054 nan 8.380 nan 0.000 0.472 388 S N -0.379 115.280 115.700 -0.070 0.000 2.592 388 S HA 0.423 4.915 4.470 0.036 0.000 0.271 388 S C 0.094 174.562 174.600 -0.220 0.000 1.326 388 S CA -0.569 57.560 58.200 -0.118 0.000 1.024 388 S CB 1.550 64.674 63.200 -0.126 0.000 0.921 388 S HN 0.113 nan 8.310 nan 0.000 0.527 389 R N 0.900 121.268 120.500 -0.220 0.000 2.750 389 R HA 0.366 4.727 4.340 0.036 0.000 0.281 389 R C -1.325 174.856 176.300 -0.197 0.000 0.972 389 R CA -0.700 55.121 56.100 -0.465 0.000 0.912 389 R CB 1.475 31.167 30.300 -1.014 0.000 1.187 389 R HN 0.886 nan 8.270 nan 0.000 0.464 390 Y N -1.630 118.510 120.300 -0.266 0.000 2.361 390 Y HA 0.616 5.188 4.550 0.036 0.000 0.332 390 Y C -0.288 175.490 175.900 -0.204 0.000 1.101 390 Y CA -1.235 56.731 58.100 -0.222 0.000 1.137 390 Y CB 1.295 39.665 38.460 -0.150 0.000 1.207 390 Y HN 0.486 nan 8.280 nan 0.000 0.463 391 C N 5.620 124.887 119.300 -0.055 0.000 2.340 391 C HA 0.868 5.350 4.460 0.036 0.000 0.323 391 C C -1.054 173.971 174.990 0.059 0.000 1.260 391 C CA -0.508 58.544 59.018 0.057 0.000 1.464 391 C CB -0.032 27.794 27.740 0.142 0.000 2.156 391 C HN 0.937 nan 8.230 nan 0.000 0.476 392 V N 5.697 125.682 119.914 0.117 0.000 3.120 392 V HA 0.817 4.958 4.120 0.036 0.000 0.303 392 V C 0.127 176.228 176.094 0.011 0.000 1.238 392 V CA 0.070 62.415 62.300 0.075 0.000 1.008 392 V CB 2.175 34.071 31.823 0.122 0.000 1.064 392 V HN 1.308 nan 8.190 nan 0.000 0.434 393 A N 4.793 127.577 122.820 -0.061 0.000 2.445 393 A HA 0.438 4.780 4.320 0.036 0.000 0.242 393 A C 1.054 178.510 177.584 -0.214 0.000 1.075 393 A CA 0.132 52.079 52.037 -0.150 0.000 0.777 393 A CB 0.097 19.021 19.000 -0.126 0.000 1.013 393 A HN 0.875 nan 8.150 nan 0.000 0.493 394 I N 0.597 120.893 120.570 -0.457 0.000 2.315 394 I HA -0.186 4.006 4.170 0.036 0.000 0.248 394 I C 1.334 177.208 176.117 -0.405 0.000 1.117 394 I CA 1.305 62.198 61.300 -0.679 0.000 1.404 394 I CB -0.441 36.868 38.000 -1.151 0.000 1.071 394 I HN 0.653 nan 8.210 nan 0.000 0.419 395 D N 0.679 120.939 120.400 -0.233 0.000 2.158 395 D HA -0.279 4.383 4.640 0.036 0.000 0.197 395 D C 2.058 178.364 176.300 0.009 0.000 0.995 395 D CA 1.133 55.135 54.000 0.004 0.000 0.846 395 D CB -0.327 40.512 40.800 0.065 0.000 0.941 395 D HN 0.372 nan 8.370 nan 0.000 0.456 396 Q N 0.122 119.913 119.800 -0.015 0.000 2.364 396 Q HA -0.067 4.294 4.340 0.036 0.000 0.209 396 Q C 0.337 176.358 176.000 0.036 0.000 0.977 396 Q CA 0.358 56.167 55.803 0.010 0.000 0.885 396 Q CB 0.097 28.837 28.738 0.003 0.000 0.941 396 Q HN 0.035 nan 8.270 nan 0.000 0.464 397 S N 0.213 115.940 115.700 0.045 0.000 2.531 397 S HA 0.122 4.614 4.470 0.036 0.000 0.279 397 S C -1.894 172.737 174.600 0.052 0.000 1.305 397 S CA -1.517 56.726 58.200 0.072 0.000 1.058 397 S CB 0.962 64.241 63.200 0.131 0.000 0.899 397 S HN 0.157 nan 8.310 nan 0.000 0.493 398 P HA 0.087 nan 4.420 nan 0.000 0.217 398 P C 0.680 178.012 177.300 0.053 0.000 1.151 398 P CA 0.742 63.871 63.100 0.048 0.000 0.828 398 P CB 0.056 31.782 31.700 0.044 0.000 0.788 399 A N -0.623 122.227 122.820 0.049 0.000 2.261 399 A HA 0.399 4.741 4.320 0.036 0.000 0.208 399 A C 1.047 178.671 177.584 0.067 0.000 1.223 399 A CA 0.032 52.101 52.037 0.053 0.000 0.833 399 A CB -1.304 17.719 19.000 0.039 0.000 0.830 399 A HN 0.199 nan 8.150 nan 0.000 0.483 400 A N 0.477 123.336 122.820 0.064 0.000 2.454 400 A HA 0.559 4.900 4.320 0.036 0.000 0.260 400 A C 0.814 178.488 177.584 0.150 0.000 1.106 400 A CA 0.237 52.300 52.037 0.043 0.000 0.780 400 A CB -0.229 18.738 19.000 -0.055 0.000 1.044 400 A HN 1.246 nan 8.150 nan 0.000 0.498 401 A N 5.090 128.026 122.820 0.195 0.000 2.477 401 A HA 0.504 4.846 4.320 0.036 0.000 0.246 401 A C -0.744 177.024 177.584 0.307 0.000 1.078 401 A CA -0.940 51.229 52.037 0.220 0.000 0.770 401 A CB -0.044 19.083 19.000 0.211 0.000 1.011 401 A HN 0.695 nan 8.150 nan 0.000 0.494 402 P HA -0.177 nan 4.420 nan 0.000 0.219 402 P C 0.410 177.738 177.300 0.047 0.000 1.146 402 P CA 1.470 64.644 63.100 0.123 0.000 0.808 402 P CB 0.190 31.934 31.700 0.074 0.000 0.779 403 E N -0.012 120.228 120.200 0.067 0.000 2.358 403 E HA -0.089 4.283 4.350 0.036 0.000 0.195 403 E C 1.797 178.364 176.600 -0.056 0.000 1.010 403 E CA 0.437 56.829 56.400 -0.013 0.000 0.856 403 E CB -1.579 28.122 29.700 0.002 0.000 0.795 403 E HN 0.414 nan 8.360 nan 0.000 0.504 404 F N 1.423 121.387 119.950 0.024 0.000 2.141 404 F HA -0.279 4.270 4.527 0.036 0.000 0.300 404 F C 1.574 177.366 175.800 -0.015 0.000 1.079 404 F CA 1.386 59.388 58.000 0.004 0.000 1.264 404 F CB -0.570 38.431 39.000 0.002 0.000 1.011 404 F HN -0.036 nan 8.300 nan 0.000 0.487 405 N N 0.676 118.661 118.700 -1.192 0.000 2.434 405 N HA -0.054 4.707 4.740 0.036 0.000 0.196 405 N C -0.729 174.634 175.510 -0.245 0.000 1.183 405 N CA 0.109 52.711 53.050 -0.747 0.000 0.849 405 N CB -0.740 37.205 38.487 -0.905 0.000 0.992 405 N HN 0.403 nan 8.380 nan 0.000 0.460 406 D N -0.253 120.044 120.400 -0.171 0.000 2.280 406 D HA -0.001 4.661 4.640 0.036 0.000 0.243 406 D C 1.052 177.308 176.300 -0.073 0.000 1.129 406 D CA -0.569 53.392 54.000 -0.064 0.000 0.848 406 D CB 0.598 41.297 40.800 -0.170 0.000 1.107 406 D HN 0.305 nan 8.370 nan 0.000 0.471 407 W N 4.236 125.480 121.300 -0.093 0.000 2.358 407 W HA -0.083 4.591 4.660 0.023 0.000 0.303 407 W C 1.498 177.979 176.519 -0.062 0.000 1.208 407 W CA 0.622 57.919 57.345 -0.079 0.000 1.274 407 W CB -0.306 29.107 29.460 -0.077 0.000 1.138 407 W HN 0.425 nan 8.180 nan 0.000 0.515 408 E N 0.870 120.456 120.200 -1.022 0.000 2.085 408 E HA 0.075 4.447 4.350 0.036 0.000 0.194 408 E C 1.638 178.057 176.600 -0.302 0.000 0.994 408 E CA 2.025 57.979 56.400 -0.743 0.000 0.801 408 E CB -0.671 28.457 29.700 -0.953 0.000 0.743 408 E HN 0.440 nan 8.360 nan 0.000 0.453 409 G N -0.501 108.162 108.800 -0.229 0.000 2.660 409 G HA2 -0.210 3.772 3.960 0.036 0.000 0.215 409 G HA3 -0.210 3.772 3.960 0.036 0.000 0.215 409 G C -0.486 174.399 174.900 -0.025 0.000 1.345 409 G CA -0.427 44.632 45.100 -0.069 0.000 0.877 409 G HN 0.756 nan 8.290 nan 0.000 0.549 410 V N -2.257 117.577 119.914 -0.133 0.000 2.656 410 V HA 0.855 4.997 4.120 0.036 0.000 0.307 410 V C 0.190 175.872 176.094 -0.686 0.000 1.051 410 V CA -0.476 61.512 62.300 -0.519 0.000 0.893 410 V CB 1.704 33.082 31.823 -0.741 0.000 0.999 410 V HN 1.180 nan 8.190 nan 0.000 0.426 411 K N 5.451 125.252 120.400 -0.998 0.000 2.349 411 K HA 0.486 4.828 4.320 0.036 0.000 0.288 411 K C -0.556 175.831 176.600 -0.354 0.000 1.058 411 K CA -0.579 55.163 56.287 -0.909 0.000 0.953 411 K CB 0.793 32.726 32.500 -0.944 0.000 0.997 411 K HN 0.556 nan 8.250 nan 0.000 0.477 412 I N 3.770 124.222 120.570 -0.196 0.000 2.452 412 I HA -0.029 4.163 4.170 0.036 0.000 0.287 412 I C 0.759 176.907 176.117 0.053 0.000 1.079 412 I CA 0.051 61.353 61.300 0.004 0.000 1.387 412 I CB 0.627 38.664 38.000 0.062 0.000 1.404 412 I HN 0.767 nan 8.210 nan 0.000 0.522 413 D N 4.547 125.021 120.400 0.124 0.000 2.422 413 D HA 0.270 4.932 4.640 0.036 0.000 0.218 413 D C 0.473 176.883 176.300 0.184 0.000 1.047 413 D CA 0.562 54.663 54.000 0.167 0.000 0.885 413 D CB 1.343 42.309 40.800 0.276 0.000 1.035 413 D HN 0.606 nan 8.370 nan 0.000 0.502 414 A N 0.371 123.288 122.820 0.161 0.000 2.587 414 A HA 0.689 5.030 4.320 0.036 0.000 0.293 414 A C -1.470 176.204 177.584 0.150 0.000 1.087 414 A CA -0.534 51.615 52.037 0.187 0.000 0.692 414 A CB 1.564 20.607 19.000 0.071 0.000 1.291 414 A HN 0.009 nan 8.150 nan 0.000 0.407 415 I N 1.816 122.496 120.570 0.184 0.000 2.439 415 I HA 0.313 4.504 4.170 0.036 0.000 0.285 415 I C -1.056 175.033 176.117 -0.047 0.000 1.021 415 I CA -0.300 61.017 61.300 0.029 0.000 1.091 415 I CB 1.570 39.570 38.000 0.001 0.000 1.242 415 I HN 0.482 nan 8.210 nan 0.000 0.439 416 L N 6.149 127.299 121.223 -0.122 0.000 2.289 416 L HA 0.530 4.892 4.340 0.036 0.000 0.285 416 L C -0.828 175.871 176.870 -0.285 0.000 1.049 416 L CA -0.459 54.341 54.840 -0.068 0.000 0.804 416 L CB 0.699 42.794 42.059 0.060 0.000 1.195 416 L HN 0.363 nan 8.230 nan 0.000 0.428 417 F N 0.756 120.777 119.950 0.117 0.000 2.421 417 F HA 0.701 5.248 4.527 0.034 0.000 0.337 417 F C 0.843 176.753 175.800 0.185 0.000 1.105 417 F CA -0.571 57.500 58.000 0.119 0.000 1.049 417 F CB 1.976 40.989 39.000 0.022 0.000 1.139 417 F HN 0.442 nan 8.300 nan 0.000 0.479 418 G N 0.868 109.983 108.800 0.525 0.000 2.732 418 G HA2 0.551 4.533 3.960 0.036 0.000 0.295 418 G HA3 0.551 4.533 3.960 0.036 0.000 0.295 418 G C -1.051 173.855 174.900 0.011 0.000 1.456 418 G CA -0.822 44.330 45.100 0.086 0.000 1.050 418 G HN 0.942 nan 8.290 nan 0.000 0.525 419 G N 0.923 109.667 108.800 -0.094 0.000 2.417 419 G HA2 0.515 4.496 3.960 0.036 0.000 0.334 419 G HA3 0.515 4.496 3.960 0.036 0.000 0.334 419 G C -0.144 174.670 174.900 -0.144 0.000 1.150 419 G CA -0.826 44.200 45.100 -0.123 0.000 0.923 419 G HN 0.544 nan 8.290 nan 0.000 0.485 420 R N 1.921 122.318 120.500 -0.172 0.000 2.612 420 R HA 0.118 4.480 4.340 0.036 0.000 0.273 420 R C -0.534 175.674 176.300 -0.153 0.000 1.376 420 R CA -0.109 55.848 56.100 -0.239 0.000 1.171 420 R CB -0.303 29.604 30.300 -0.654 0.000 1.151 420 R HN 0.427 nan 8.270 nan 0.000 0.560 421 R N 2.219 122.704 120.500 -0.026 0.000 2.480 421 R HA 0.305 4.666 4.340 0.036 0.000 0.306 421 R C 0.345 176.674 176.300 0.047 0.000 0.958 421 R CA -0.386 55.689 56.100 -0.042 0.000 0.861 421 R CB 1.937 32.182 30.300 -0.091 0.000 1.171 421 R HN 0.452 nan 8.270 nan 0.000 0.445 422 A N 1.954 124.784 122.820 0.017 0.000 2.167 422 A HA -0.080 4.261 4.320 0.036 0.000 0.214 422 A C 0.644 178.238 177.584 0.016 0.000 1.151 422 A CA 1.355 53.416 52.037 0.040 0.000 0.735 422 A CB -0.184 18.804 19.000 -0.019 0.000 0.802 422 A HN 0.857 nan 8.150 nan 0.000 0.467 423 D N -4.355 116.038 120.400 -0.011 0.000 3.309 423 D HA 0.146 4.807 4.640 0.036 0.000 0.335 423 D C 0.870 177.150 176.300 -0.033 0.000 1.393 423 D CA 1.009 55.001 54.000 -0.014 0.000 0.963 423 D CB -0.247 40.532 40.800 -0.035 0.000 1.431 423 D HN 0.522 nan 8.370 nan 0.000 0.583 424 T N -1.956 112.576 114.554 -0.036 0.000 11.258 424 T HA -0.295 4.077 4.350 0.036 0.000 0.419 424 T C 0.666 175.472 174.700 0.177 0.000 1.443 424 T CA 1.940 64.010 62.100 -0.049 0.000 2.416 424 T CB -2.023 66.584 68.868 -0.436 0.000 2.903 424 T HN 0.530 nan 8.240 nan 0.000 1.005 425 V N 5.059 125.028 119.914 0.092 0.000 2.406 425 V HA 0.511 4.653 4.120 0.036 0.000 0.272 425 V C -1.997 174.171 176.094 0.123 0.000 1.043 425 V CA -1.789 60.634 62.300 0.205 0.000 0.915 425 V CB 1.334 33.207 31.823 0.083 0.000 0.988 425 V HN 0.426 nan 8.190 nan 0.000 0.466 426 P HA 0.087 nan 4.420 nan 0.000 0.272 426 P C 0.733 177.990 177.300 -0.070 0.000 1.223 426 P CA -0.385 62.715 63.100 0.001 0.000 0.784 426 P CB 0.713 32.391 31.700 -0.037 0.000 0.923 427 L N 3.518 124.660 121.223 -0.135 0.000 2.051 427 L HA -0.120 4.241 4.340 0.036 0.000 0.214 427 L C 0.126 176.855 176.870 -0.235 0.000 1.076 427 L CA 2.239 56.945 54.840 -0.224 0.000 0.758 427 L CB -0.194 41.639 42.059 -0.377 0.000 0.890 427 L HN 0.185 nan 8.230 nan 0.000 0.433 428 V N -1.446 118.312 119.914 -0.260 0.000 2.777 428 V HA 0.567 4.709 4.120 0.036 0.000 0.306 428 V C -0.475 175.531 176.094 -0.146 0.000 1.112 428 V CA -0.083 62.111 62.300 -0.176 0.000 0.917 428 V CB 1.229 32.880 31.823 -0.285 0.000 1.018 428 V HN 0.282 nan 8.190 nan 0.000 0.426 429 T N 1.291 115.875 114.554 0.050 0.000 2.971 429 T HA 0.476 4.847 4.350 0.036 0.000 0.304 429 T C -0.965 173.766 174.700 0.052 0.000 1.038 429 T CA -0.522 61.605 62.100 0.045 0.000 1.007 429 T CB 2.087 70.913 68.868 -0.070 0.000 1.055 429 T HN 0.749 nan 8.240 nan 0.000 0.451 430 Q N 3.198 122.994 119.800 -0.007 0.000 2.295 430 Q HA 0.377 4.739 4.340 0.036 0.000 0.259 430 Q C 0.459 176.283 176.000 -0.294 0.000 0.976 430 Q CA -0.437 55.118 55.803 -0.413 0.000 0.923 430 Q CB 0.797 29.351 28.738 -0.306 0.000 1.185 430 Q HN 0.916 nan 8.270 nan 0.000 0.410 431 T N 0.373 114.725 114.554 -0.337 0.000 2.868 431 T HA 0.113 4.485 4.350 0.036 0.000 0.292 431 T C 0.823 175.508 174.700 -0.024 0.000 1.028 431 T CA -0.246 61.692 62.100 -0.271 0.000 1.059 431 T CB 0.422 69.051 68.868 -0.398 0.000 0.991 431 T HN 0.579 nan 8.240 nan 0.000 0.531 432 Y N 1.214 121.747 120.300 0.387 0.000 2.293 432 Y HA 0.041 4.612 4.550 0.035 0.000 0.291 432 Y C 1.586 177.619 175.900 0.222 0.000 1.137 432 Y CA 1.199 59.424 58.100 0.208 0.000 1.202 432 Y CB 0.150 38.615 38.460 0.009 0.000 0.990 432 Y HN 0.893 nan 8.280 nan 0.000 0.537 433 D N -4.465 116.156 120.400 0.369 0.000 2.918 433 D HA -0.173 4.489 4.640 0.036 0.000 0.342 433 D C 0.225 176.727 176.300 0.337 0.000 1.403 433 D CA -0.602 53.590 54.000 0.321 0.000 0.776 433 D CB -0.538 40.443 40.800 0.302 0.000 1.365 433 D HN 0.138 nan 8.370 nan 0.000 0.468 434 W N 0.984 122.396 121.300 0.187 0.000 2.378 434 W HA -0.097 4.588 4.660 0.041 0.000 0.313 434 W C 1.819 178.474 176.519 0.227 0.000 1.197 434 W CA 2.233 59.704 57.345 0.209 0.000 1.304 434 W CB -0.026 29.544 29.460 0.184 0.000 1.148 434 W HN 0.667 nan 8.180 nan 0.000 0.494 435 E N -0.663 119.770 120.200 0.388 0.000 2.097 435 E HA -0.358 4.014 4.350 0.036 0.000 0.196 435 E C 2.227 178.944 176.600 0.194 0.000 1.000 435 E CA 1.868 58.425 56.400 0.261 0.000 0.804 435 E CB -0.888 28.966 29.700 0.257 0.000 0.740 435 E HN 0.434 nan 8.360 nan 0.000 0.454 436 H N -1.067 118.073 119.070 0.117 0.000 2.319 436 H HA -0.097 4.481 4.556 0.036 0.000 0.299 436 H C 1.971 177.298 175.328 -0.001 0.000 1.092 436 H CA 1.309 57.411 56.048 0.090 0.000 1.302 436 H CB -0.134 29.727 29.762 0.165 0.000 1.373 436 H HN 0.264 nan 8.280 nan 0.000 0.497 437 G N -0.845 107.865 108.800 -0.149 0.000 2.443 437 G HA2 -0.202 3.780 3.960 0.036 0.000 0.219 437 G HA3 -0.202 3.780 3.960 0.036 0.000 0.219 437 G C 1.647 176.363 174.900 -0.308 0.000 1.131 437 G CA 0.984 45.934 45.100 -0.250 0.000 0.775 437 G HN 0.380 nan 8.290 nan 0.000 0.547 438 T N 0.798 115.158 114.554 -0.323 0.000 2.777 438 T HA -0.095 4.277 4.350 0.036 0.000 0.266 438 T C 2.254 176.737 174.700 -0.361 0.000 1.040 438 T CA 1.145 63.005 62.100 -0.400 0.000 1.141 438 T CB -0.187 68.588 68.868 -0.155 0.000 0.868 438 T HN 0.207 nan 8.240 nan 0.000 0.444 439 M N 1.086 120.576 119.600 -0.184 0.000 2.080 439 M HA -0.135 4.367 4.480 0.036 0.000 0.260 439 M C 2.229 178.419 176.300 -0.183 0.000 1.068 439 M CA 1.648 56.880 55.300 -0.113 0.000 1.109 439 M CB -0.497 32.143 32.600 0.067 0.000 1.342 439 M HN 0.120 nan 8.290 nan 0.000 0.405 440 V N 0.666 120.429 119.914 -0.251 0.000 2.252 440 V HA -0.273 3.869 4.120 0.036 0.000 0.249 440 V C 2.665 178.455 176.094 -0.508 0.000 1.056 440 V CA 2.257 64.382 62.300 -0.292 0.000 1.022 440 V CB -2.000 29.634 31.823 -0.316 0.000 0.641 440 V HN 0.733 nan 8.190 nan 0.000 0.445 441 G N -0.410 107.811 108.800 -0.966 0.000 2.476 441 G HA2 -0.278 3.703 3.960 0.036 0.000 0.218 441 G HA3 -0.278 3.703 3.960 0.036 0.000 0.218 441 G C 1.787 176.230 174.900 -0.761 0.000 1.164 441 G CA 1.272 45.445 45.100 -1.546 0.000 0.768 441 G HN 0.667 nan 8.290 nan 0.000 0.560 442 A N 0.234 122.743 122.820 -0.517 0.000 1.986 442 A HA 0.037 4.379 4.320 0.036 0.000 0.220 442 A C 2.220 179.731 177.584 -0.123 0.000 1.171 442 A CA 1.376 53.258 52.037 -0.257 0.000 0.640 442 A CB -0.298 18.576 19.000 -0.209 0.000 0.811 442 A HN 0.390 nan 8.150 nan 0.000 0.451 443 L N -0.574 120.559 121.223 -0.150 0.000 2.667 443 L HA 0.257 4.618 4.340 0.036 0.000 0.232 443 L C 0.308 177.128 176.870 -0.084 0.000 1.138 443 L CA -0.435 54.379 54.840 -0.045 0.000 0.921 443 L CB -0.112 41.964 42.059 0.028 0.000 1.180 443 L HN 0.294 nan 8.230 nan 0.000 0.487 444 L N 1.869 122.990 121.223 -0.170 0.000 2.660 444 L HA 0.042 4.403 4.340 0.036 0.000 0.272 444 L C 0.387 177.147 176.870 -0.184 0.000 1.194 444 L CA 0.114 54.855 54.840 -0.164 0.000 0.945 444 L CB 0.354 42.316 42.059 -0.161 0.000 1.212 444 L HN 0.200 nan 8.230 nan 0.000 0.490 445 A N 3.255 125.937 122.820 -0.230 0.000 2.569 445 A HA 0.713 5.055 4.320 0.036 0.000 0.290 445 A C -0.098 177.325 177.584 -0.268 0.000 1.136 445 A CA -0.171 51.665 52.037 -0.335 0.000 0.710 445 A CB 1.660 20.306 19.000 -0.589 0.000 1.303 445 A HN 0.660 nan 8.150 nan 0.000 0.413 460 L N 3.665 124.765 121.223 -0.204 0.000 2.313 460 L HA 0.698 5.059 4.340 0.036 0.000 0.282 460 L C 0.085 176.702 176.870 -0.421 0.000 1.092 460 L CA -0.213 54.421 54.840 -0.344 0.000 0.831 460 L CB 0.992 42.765 42.059 -0.476 0.000 1.159 460 L HN 0.341 nan 8.230 nan 0.000 0.442 461 R N 4.194 124.478 120.500 -0.360 0.000 2.220 461 R HA 0.259 4.620 4.340 0.036 0.000 0.340 461 R C -0.747 175.337 176.300 -0.360 0.000 1.076 461 R CA -0.024 55.908 56.100 -0.280 0.000 0.920 461 R CB -0.127 30.055 30.300 -0.196 0.000 1.062 461 R HN 0.554 nan 8.270 nan 0.000 0.469 462 H N 2.131 120.986 119.070 -0.359 0.000 2.481 462 H HA 0.252 4.829 4.556 0.036 0.000 0.339 462 H C -0.700 174.438 175.328 -0.316 0.000 1.131 462 H CA -0.221 55.527 56.048 -0.501 0.000 1.301 462 H CB 1.856 30.939 29.762 -1.131 0.000 1.476 462 H HN 0.529 nan 8.280 nan 0.000 0.529 463 D N 3.303 123.632 120.400 -0.118 0.000 2.527 463 D HA 0.139 4.801 4.640 0.036 0.000 0.242 463 D C -2.757 173.507 176.300 -0.062 0.000 1.285 463 D CA -1.592 52.365 54.000 -0.071 0.000 0.886 463 D CB 1.126 41.878 40.800 -0.080 0.000 1.402 463 D HN 0.203 nan 8.370 nan 0.000 0.528 464 P HA -0.048 nan 4.420 nan 0.000 0.262 464 P C 0.851 178.107 177.300 -0.074 0.000 1.182 464 P CA 0.069 63.133 63.100 -0.059 0.000 0.761 464 P CB 0.374 32.086 31.700 0.020 0.000 0.795 465 M N 0.868 120.369 119.600 -0.166 0.000 2.582 465 M HA -0.333 4.169 4.480 0.036 0.000 0.184 465 M C 0.806 177.232 176.300 0.211 0.000 0.558 465 M CA 1.470 56.775 55.300 0.009 0.000 0.499 465 M CB -3.348 29.346 32.600 0.157 0.000 1.808 465 M HN 0.643 nan 8.290 nan 0.000 0.705 466 A N -1.928 120.953 122.820 0.102 0.000 2.816 466 A HA -0.246 4.096 4.320 0.036 0.000 0.270 466 A C 1.303 178.895 177.584 0.013 0.000 1.413 466 A CA 1.849 53.925 52.037 0.065 0.000 0.866 466 A CB -1.259 17.828 19.000 0.145 0.000 1.032 466 A HN 0.623 nan 8.150 nan 0.000 0.642 467 M N -2.192 117.432 119.600 0.040 0.000 2.461 467 M HA 0.158 4.660 4.480 0.036 0.000 0.255 467 M C 1.791 178.047 176.300 -0.075 0.000 1.137 467 M CA 0.965 56.315 55.300 0.083 0.000 1.086 467 M CB -0.663 31.913 32.600 -0.039 0.000 1.356 467 M HN 0.548 nan 8.290 nan 0.000 0.487 468 L N 2.110 123.240 121.223 -0.155 0.000 2.034 468 L HA -0.175 4.187 4.340 0.036 0.000 0.217 468 L C -0.792 175.884 176.870 -0.322 0.000 1.077 468 L CA 2.510 57.238 54.840 -0.187 0.000 0.769 468 L CB -1.573 40.423 42.059 -0.104 0.000 0.890 468 L HN 0.138 nan 8.230 nan 0.000 0.435 469 P HA -0.096 nan 4.420 nan 0.000 0.230 469 P C 0.451 177.360 177.300 -0.652 0.000 1.158 469 P CA 1.390 64.031 63.100 -0.765 0.000 0.769 469 P CB -0.079 30.952 31.700 -1.115 0.000 0.807 470 F N -2.021 117.936 119.950 0.011 0.000 2.775 470 F HA 0.324 4.872 4.527 0.035 0.000 0.313 470 F C 0.704 176.504 175.800 -0.000 0.000 1.121 470 F CA -0.694 57.343 58.000 0.061 0.000 1.206 470 F CB -0.128 38.979 39.000 0.179 0.000 1.052 470 F HN -0.298 nan 8.300 nan 0.000 0.524 471 I N 1.154 121.702 120.570 -0.036 0.000 2.452 471 I HA 0.176 4.368 4.170 0.036 0.000 0.287 471 I C 1.468 177.553 176.117 -0.052 0.000 1.079 471 I CA 0.078 61.263 61.300 -0.193 0.000 1.387 471 I CB 0.977 38.662 38.000 -0.525 0.000 1.404 471 I HN 0.306 nan 8.210 nan 0.000 0.522 472 G N 6.143 114.996 108.800 0.088 0.000 2.985 472 G HA2 0.086 4.068 3.960 0.036 0.000 0.209 472 G HA3 0.086 4.068 3.960 0.036 0.000 0.209 472 G C 0.125 175.176 174.900 0.253 0.000 1.165 472 G CA 0.222 45.435 45.100 0.188 0.000 0.776 472 G HN 0.715 nan 8.290 nan 0.000 0.541 473 Y N -2.770 117.564 120.300 0.056 0.000 2.889 473 Y HA 0.513 5.089 4.550 0.043 0.000 0.317 473 Y C -0.201 175.721 175.900 0.036 0.000 1.414 473 Y CA -1.925 56.206 58.100 0.052 0.000 1.091 473 Y CB 0.340 38.832 38.460 0.054 0.000 1.358 473 Y HN -0.185 nan 8.280 nan 0.000 0.487 474 N N 0.819 119.593 118.700 0.123 0.000 2.301 474 N HA -0.066 4.695 4.740 0.036 0.000 0.267 474 N C 0.952 176.366 175.510 -0.161 0.000 1.304 474 N CA 0.904 53.941 53.050 -0.021 0.000 0.851 474 N CB 1.435 39.953 38.487 0.051 0.000 1.070 474 N HN 0.928 nan 8.380 nan 0.000 0.483 475 A N 3.850 126.552 122.820 -0.198 0.000 2.019 475 A HA -0.072 4.269 4.320 0.036 0.000 0.219 475 A C 1.939 179.483 177.584 -0.068 0.000 1.164 475 A CA 1.726 53.651 52.037 -0.187 0.000 0.644 475 A CB -0.529 18.340 19.000 -0.217 0.000 0.805 475 A HN 0.762 nan 8.150 nan 0.000 0.449 476 G N -0.885 107.865 108.800 -0.083 0.000 2.408 476 G HA2 -0.140 3.842 3.960 0.036 0.000 0.215 476 G HA3 -0.140 3.842 3.960 0.036 0.000 0.215 476 G C 1.433 176.351 174.900 0.030 0.000 1.156 476 G CA 0.825 45.894 45.100 -0.052 0.000 0.793 476 G HN 0.611 nan 8.290 nan 0.000 0.535 477 E N -0.340 119.905 120.200 0.076 0.000 2.077 477 E HA -0.217 4.155 4.350 0.036 0.000 0.193 477 E C 1.997 178.767 176.600 0.284 0.000 0.989 477 E CA 1.016 57.530 56.400 0.189 0.000 0.800 477 E CB -0.299 29.575 29.700 0.290 0.000 0.746 477 E HN 0.570 nan 8.360 nan 0.000 0.452 478 Y N 0.985 121.287 120.300 0.004 0.000 2.207 478 Y HA -0.219 4.353 4.550 0.036 0.000 0.287 478 Y C 1.877 177.899 175.900 0.202 0.000 1.156 478 Y CA 1.495 59.585 58.100 -0.017 0.000 1.182 478 Y CB -0.155 38.023 38.460 -0.470 0.000 0.979 478 Y HN 0.022 nan 8.280 nan 0.000 0.521 479 L N 0.146 121.416 121.223 0.079 0.000 2.141 479 L HA -0.199 4.162 4.340 0.036 0.000 0.209 479 L C 2.599 179.521 176.870 0.086 0.000 1.094 479 L CA 1.368 56.203 54.840 -0.008 0.000 0.763 479 L CB -0.589 41.450 42.059 -0.033 0.000 0.908 479 L HN 0.263 nan 8.230 nan 0.000 0.437 480 Q N 0.693 120.556 119.800 0.104 0.000 2.050 480 Q HA -0.243 4.118 4.340 0.036 0.000 0.202 480 Q C 1.862 177.946 176.000 0.141 0.000 0.980 480 Q CA 1.904 57.777 55.803 0.116 0.000 0.840 480 Q CB -0.473 28.328 28.738 0.105 0.000 0.898 480 Q HN 0.408 nan 8.270 nan 0.000 0.424 481 N N -1.133 117.652 118.700 0.141 0.000 2.049 481 N HA -0.225 4.536 4.740 0.036 0.000 0.198 481 N C 1.450 177.034 175.510 0.123 0.000 1.030 481 N CA 1.730 54.838 53.050 0.097 0.000 0.870 481 N CB -0.320 38.212 38.487 0.075 0.000 1.045 481 N HN 0.333 nan 8.380 nan 0.000 0.434 482 W N 1.332 122.610 121.300 -0.037 0.000 2.318 482 W HA -0.126 4.562 4.660 0.047 0.000 0.313 482 W C 2.318 179.061 176.519 0.374 0.000 1.221 482 W CA 0.429 57.869 57.345 0.157 0.000 1.266 482 W CB -0.540 28.925 29.460 0.008 0.000 1.150 482 W HN 0.138 nan 8.180 nan 0.000 0.496 483 I N 0.249 121.093 120.570 0.457 0.000 2.163 483 I HA -0.289 3.902 4.170 0.036 0.000 0.243 483 I C 1.806 178.060 176.117 0.229 0.000 1.085 483 I CA 1.752 63.264 61.300 0.354 0.000 1.347 483 I CB -1.676 36.454 38.000 0.217 0.000 1.044 483 I HN -0.003 nan 8.210 nan 0.000 0.408 484 D N 0.359 120.846 120.400 0.145 0.000 2.087 484 D HA -0.187 4.475 4.640 0.036 0.000 0.192 484 D C 2.362 178.663 176.300 0.003 0.000 0.993 484 D CA 1.096 55.132 54.000 0.060 0.000 0.828 484 D CB -0.265 40.555 40.800 0.034 0.000 0.968 484 D HN 0.106 nan 8.370 nan 0.000 0.448 485 M N 0.378 119.970 119.600 -0.014 0.000 2.089 485 M HA -0.127 4.374 4.480 0.036 0.000 0.257 485 M C 2.330 178.458 176.300 -0.286 0.000 1.071 485 M CA 1.706 56.931 55.300 -0.125 0.000 1.096 485 M CB -1.484 31.038 32.600 -0.129 0.000 1.330 485 M HN 0.119 nan 8.290 nan 0.000 0.403 486 G N -0.443 108.168 108.800 -0.315 0.000 2.509 486 G HA2 -0.189 3.793 3.960 0.036 0.000 0.218 486 G HA3 -0.189 3.793 3.960 0.036 0.000 0.218 486 G C 1.447 176.205 174.900 -0.236 0.000 1.124 486 G CA 0.639 45.342 45.100 -0.661 0.000 0.776 486 G HN 0.424 nan 8.290 nan 0.000 0.547 487 N N -0.042 118.604 118.700 -0.090 0.000 2.432 487 N HA 0.029 4.790 4.740 0.036 0.000 0.174 487 N C 1.899 177.374 175.510 -0.058 0.000 1.037 487 N CA 0.375 53.404 53.050 -0.034 0.000 0.892 487 N CB -0.000 38.496 38.487 0.015 0.000 1.049 487 N HN 0.289 nan 8.380 nan 0.000 0.442 488 K N 0.462 120.813 120.400 -0.083 0.000 2.209 488 K HA -0.014 4.327 4.320 0.036 0.000 0.204 488 K C 0.955 177.496 176.600 -0.099 0.000 1.048 488 K CA 0.886 57.125 56.287 -0.079 0.000 0.940 488 K CB 0.008 32.461 32.500 -0.079 0.000 0.729 488 K HN 0.117 nan 8.250 nan 0.000 0.451 489 G N -2.165 106.543 108.800 -0.155 0.000 3.013 489 G HA2 0.562 4.543 3.960 0.036 0.000 0.278 489 G HA3 0.562 4.543 3.960 0.036 0.000 0.278 489 G C -0.127 174.697 174.900 -0.127 0.000 1.353 489 G CA -0.393 44.617 45.100 -0.150 0.000 1.043 489 G HN 0.291 nan 8.290 nan 0.000 0.523 490 G N -0.955 107.792 108.800 -0.089 0.000 3.450 490 G HA2 0.140 4.122 3.960 0.036 0.000 0.147 490 G HA3 0.140 4.122 3.960 0.036 0.000 0.147 490 G C 0.509 175.407 174.900 -0.002 0.000 1.269 490 G CA 0.833 45.912 45.100 -0.035 0.000 1.388 490 G HN 0.495 nan 8.290 nan 0.000 0.731 491 D N 0.582 120.989 120.400 0.011 0.000 2.254 491 D HA -0.080 4.581 4.640 0.036 0.000 0.201 491 D C 2.236 178.545 176.300 0.016 0.000 0.998 491 D CA 1.235 55.249 54.000 0.023 0.000 0.885 491 D CB 0.221 41.032 40.800 0.018 0.000 0.915 491 D HN 0.276 nan 8.370 nan 0.000 0.460 492 K N -0.706 119.686 120.400 -0.014 0.000 2.155 492 K HA -0.017 4.325 4.320 0.036 0.000 0.203 492 K C 0.288 176.870 176.600 -0.031 0.000 1.052 492 K CA 0.323 56.598 56.287 -0.020 0.000 0.948 492 K CB 0.124 32.598 32.500 -0.042 0.000 0.728 492 K HN 0.178 nan 8.250 nan 0.000 0.448 493 M N 2.535 122.091 119.600 -0.073 0.000 2.238 493 M HA 0.108 4.609 4.480 0.036 0.000 0.350 493 M C -2.079 174.297 176.300 0.128 0.000 1.321 493 M CA -2.876 52.374 55.300 -0.084 0.000 1.097 493 M CB -0.488 31.963 32.600 -0.248 0.000 1.713 493 M HN -0.038 nan 8.290 nan 0.000 0.455 494 P HA 0.071 nan 4.420 nan 0.000 0.269 494 P C -0.181 177.338 177.300 0.364 0.000 1.215 494 P CA -0.221 63.036 63.100 0.262 0.000 0.780 494 P CB 0.518 32.371 31.700 0.255 0.000 0.898 495 S N 0.984 116.878 115.700 0.323 0.000 2.564 495 S HA 0.240 4.731 4.470 0.036 0.000 0.278 495 S C 0.349 175.144 174.600 0.325 0.000 1.333 495 S CA -0.522 57.856 58.200 0.296 0.000 1.048 495 S CB -0.361 63.024 63.200 0.308 0.000 0.900 495 S HN 0.206 nan 8.310 nan 0.000 0.505 496 I N 4.857 125.529 120.570 0.169 0.000 2.331 496 I HA 0.336 4.527 4.170 0.036 0.000 0.292 496 I C -0.808 175.317 176.117 0.014 0.000 0.998 496 I CA -0.269 61.105 61.300 0.123 0.000 1.267 496 I CB 0.753 38.781 38.000 0.048 0.000 1.386 496 I HN 0.484 nan 8.210 nan 0.000 0.476 497 F N 5.998 125.977 119.950 0.048 0.000 2.538 497 F HA 0.514 5.061 4.527 0.034 0.000 0.325 497 F C -0.281 175.562 175.800 0.071 0.000 1.066 497 F CA -0.896 57.148 58.000 0.073 0.000 0.946 497 F CB 1.802 40.863 39.000 0.102 0.000 1.199 497 F HN 0.192 nan 8.300 nan 0.000 0.473 498 L N 3.975 125.339 121.223 0.235 0.000 2.325 498 L HA 0.770 5.131 4.340 0.036 0.000 0.281 498 L C -0.963 175.942 176.870 0.058 0.000 1.004 498 L CA -0.794 54.132 54.840 0.144 0.000 0.823 498 L CB 1.170 43.275 42.059 0.076 0.000 1.236 498 L HN 0.403 nan 8.230 nan 0.000 0.415 499 V N 2.227 122.110 119.914 -0.051 0.000 2.919 499 V HA 0.807 4.949 4.120 0.036 0.000 0.316 499 V C -0.757 175.062 176.094 -0.459 0.000 1.077 499 V CA -0.592 61.517 62.300 -0.319 0.000 0.977 499 V CB 1.942 33.427 31.823 -0.564 0.000 1.039 499 V HN 0.898 nan 8.190 nan 0.000 0.441 500 N N 1.300 119.678 118.700 -0.536 0.000 2.812 500 N HA 0.302 5.064 4.740 0.036 0.000 0.262 500 N C -0.404 175.011 175.510 -0.158 0.000 1.241 500 N CA -0.608 52.234 53.050 -0.346 0.000 0.854 500 N CB 0.777 39.195 38.487 -0.115 0.000 1.506 500 N HN 0.911 nan 8.380 nan 0.000 0.576 501 W N 1.738 122.895 121.300 -0.238 0.000 2.595 501 W HA 0.105 4.786 4.660 0.036 0.000 0.257 501 W C 0.325 176.612 176.519 -0.386 0.000 1.267 501 W CA -0.005 57.065 57.345 -0.459 0.000 1.300 501 W CB 0.135 28.999 29.460 -0.994 0.000 1.120 501 W HN 0.444 nan 8.180 nan 0.000 0.618 502 F N -0.171 119.918 119.950 0.231 0.000 2.654 502 F HA 0.262 4.810 4.527 0.035 0.000 0.303 502 F C 1.127 177.134 175.800 0.346 0.000 1.099 502 F CA -0.651 57.521 58.000 0.288 0.000 1.270 502 F CB -0.249 38.867 39.000 0.194 0.000 1.024 502 F HN -0.465 nan 8.300 nan 0.000 0.548 503 R N 1.904 122.614 120.500 0.350 0.000 2.566 503 R HA 0.093 4.455 4.340 0.036 0.000 0.273 503 R C 0.220 176.655 176.300 0.225 0.000 0.981 503 R CA 0.500 56.736 56.100 0.227 0.000 1.091 503 R CB 0.278 30.666 30.300 0.147 0.000 0.924 503 R HN 0.302 nan 8.270 nan 0.000 0.411 504 R N -0.155 120.393 120.500 0.080 0.000 2.832 504 R HA 0.491 4.852 4.340 0.036 0.000 0.271 504 R C 0.350 176.637 176.300 -0.022 0.000 0.996 504 R CA -0.518 55.553 56.100 -0.048 0.000 0.977 504 R CB 1.914 32.108 30.300 -0.176 0.000 1.168 504 R HN 0.736 nan 8.270 nan 0.000 0.482 505 G N 0.286 109.060 108.800 -0.043 0.000 2.613 505 G HA2 0.254 4.235 3.960 0.036 0.000 0.303 505 G HA3 0.254 4.235 3.960 0.036 0.000 0.303 505 G C -0.981 173.895 174.900 -0.040 0.000 1.312 505 G CA -0.472 44.616 45.100 -0.020 0.000 1.036 505 G HN 0.454 nan 8.290 nan 0.000 0.513 506 E N 0.301 120.487 120.200 -0.024 0.000 1.963 506 E HA 0.250 4.621 4.350 0.036 0.000 0.274 506 E C -0.578 176.006 176.600 -0.027 0.000 1.061 506 E CA -0.157 56.227 56.400 -0.028 0.000 0.847 506 E CB 0.799 30.489 29.700 -0.017 0.000 1.083 506 E HN 0.429 nan 8.360 nan 0.000 0.402 507 D N 2.451 122.827 120.400 -0.040 0.000 2.846 507 D HA -0.232 4.430 4.640 0.036 0.000 0.223 507 D C 1.211 177.498 176.300 -0.023 0.000 1.171 507 D CA 1.333 55.311 54.000 -0.038 0.000 0.627 507 D CB -0.425 40.357 40.800 -0.030 0.000 1.052 507 D HN 0.687 nan 8.370 nan 0.000 0.415 508 G N -0.999 107.790 108.800 -0.018 0.000 2.813 508 G HA2 0.008 3.989 3.960 0.036 0.000 0.209 508 G HA3 0.008 3.989 3.960 0.036 0.000 0.209 508 G C 1.006 175.908 174.900 0.003 0.000 1.150 508 G CA 0.556 45.656 45.100 -0.001 0.000 0.785 508 G HN 0.318 nan 8.290 nan 0.000 0.535 509 R N -1.510 118.971 120.500 -0.031 0.000 3.923 509 R HA -0.209 4.152 4.340 0.036 0.000 0.435 509 R C -0.510 175.756 176.300 -0.057 0.000 0.241 509 R CA 0.278 56.334 56.100 -0.072 0.000 1.381 509 R CB -1.627 28.659 30.300 -0.023 0.000 1.052 509 R HN 0.127 nan 8.270 nan 0.000 0.540 510 F N 1.964 121.958 119.950 0.072 0.000 2.519 510 F HA 0.092 4.640 4.527 0.036 0.000 0.375 510 F C 1.647 177.502 175.800 0.091 0.000 1.084 510 F CA 0.216 58.274 58.000 0.097 0.000 1.147 510 F CB 0.174 39.239 39.000 0.108 0.000 1.088 510 F HN 0.241 nan 8.300 nan 0.000 0.555 511 L N 4.466 125.880 121.223 0.319 0.000 2.478 511 L HA -0.075 4.287 4.340 0.036 0.000 0.223 511 L C 0.302 177.366 176.870 0.324 0.000 1.140 511 L CA 0.515 55.502 54.840 0.244 0.000 0.842 511 L CB -0.042 42.136 42.059 0.198 0.000 0.953 511 L HN 0.601 nan 8.230 nan 0.000 0.452 512 W N 1.869 123.218 121.300 0.082 0.000 2.715 512 W HA 0.275 4.956 4.660 0.036 0.000 0.331 512 W C -2.085 174.400 176.519 -0.057 0.000 1.031 512 W CA -1.628 55.710 57.345 -0.011 0.000 1.237 512 W CB 2.131 31.572 29.460 -0.033 0.000 1.378 512 W HN -0.172 nan 8.180 nan 0.000 0.454 513 P HA -0.008 nan 4.420 nan 0.000 0.226 513 P C 1.163 178.219 177.300 -0.408 0.000 1.153 513 P CA 1.671 64.510 63.100 -0.435 0.000 0.777 513 P CB 0.407 31.831 31.700 -0.460 0.000 0.794 514 G N -0.199 108.147 108.800 -0.757 0.000 2.602 514 G HA2 -0.346 3.635 3.960 0.036 0.000 0.306 514 G HA3 -0.346 3.635 3.960 0.036 0.000 0.306 514 G C 0.327 175.027 174.900 -0.334 0.000 1.301 514 G CA 0.351 45.136 45.100 -0.524 0.000 0.974 514 G HN 0.191 nan 8.290 nan 0.000 0.547 515 F N -1.760 117.920 119.950 -0.449 0.000 2.484 515 F HA -0.324 4.225 4.527 0.036 0.000 0.231 515 F C 2.732 178.368 175.800 -0.274 0.000 1.469 515 F CA 3.125 60.940 58.000 -0.308 0.000 1.998 515 F CB -1.721 37.143 39.000 -0.226 0.000 0.484 515 F HN 1.333 nan 8.300 nan 0.000 0.213 516 G N -0.522 108.283 108.800 0.008 0.000 2.394 516 G HA2 -0.124 3.858 3.960 0.036 0.000 0.215 516 G HA3 -0.124 3.858 3.960 0.036 0.000 0.215 516 G C 0.949 175.781 174.900 -0.114 0.000 1.165 516 G CA 1.051 46.117 45.100 -0.056 0.000 0.784 516 G HN 0.633 nan 8.290 nan 0.000 0.535 517 D N 1.051 121.346 120.400 -0.174 0.000 2.403 517 D HA -0.076 4.586 4.640 0.036 0.000 0.227 517 D C 1.553 177.801 176.300 -0.087 0.000 0.995 517 D CA 0.325 54.192 54.000 -0.222 0.000 0.928 517 D CB -0.029 40.483 40.800 -0.480 0.000 0.887 517 D HN 0.142 nan 8.370 nan 0.000 0.529 518 N N 0.412 119.023 118.700 -0.148 0.000 2.459 518 N HA -0.095 4.666 4.740 0.036 0.000 0.181 518 N C 1.858 177.296 175.510 -0.121 0.000 1.046 518 N CA 0.408 53.337 53.050 -0.203 0.000 0.904 518 N CB -0.008 38.086 38.487 -0.656 0.000 0.964 518 N HN 0.185 nan 8.380 nan 0.000 0.444 519 S N 0.622 116.255 115.700 -0.112 0.000 2.419 519 S HA -0.069 4.423 4.470 0.036 0.000 0.233 519 S C 1.803 176.276 174.600 -0.212 0.000 1.016 519 S CA 0.480 58.580 58.200 -0.166 0.000 0.974 519 S CB -0.164 62.931 63.200 -0.174 0.000 0.786 519 S HN 0.272 nan 8.310 nan 0.000 0.492 520 R N 0.828 121.282 120.500 -0.078 0.000 2.091 520 R HA -0.023 4.339 4.340 0.036 0.000 0.238 520 R C 2.271 178.570 176.300 -0.002 0.000 1.136 520 R CA 1.507 57.597 56.100 -0.017 0.000 0.959 520 R CB -0.980 29.427 30.300 0.179 0.000 0.856 520 R HN 0.378 nan 8.270 nan 0.000 0.437 521 V N 1.326 121.241 119.914 0.002 0.000 2.343 521 V HA -0.205 3.936 4.120 0.036 0.000 0.247 521 V C 2.261 178.361 176.094 0.009 0.000 1.051 521 V CA 1.388 63.669 62.300 -0.031 0.000 1.036 521 V CB -0.396 31.423 31.823 -0.006 0.000 0.654 521 V HN 0.220 nan 8.190 nan 0.000 0.451 522 L N 0.157 121.339 121.223 -0.069 0.000 2.093 522 L HA -0.082 4.280 4.340 0.036 0.000 0.208 522 L C 2.422 179.125 176.870 -0.278 0.000 1.085 522 L CA 1.708 56.463 54.840 -0.142 0.000 0.755 522 L CB -1.464 40.524 42.059 -0.119 0.000 0.904 522 L HN 0.370 nan 8.230 nan 0.000 0.435 523 K N -0.493 119.667 120.400 -0.401 0.000 2.089 523 K HA -0.275 4.066 4.320 0.036 0.000 0.210 523 K C 2.144 178.638 176.600 -0.177 0.000 1.048 523 K CA 1.742 57.721 56.287 -0.513 0.000 0.926 523 K CB -0.784 31.380 32.500 -0.560 0.000 0.714 523 K HN 0.347 nan 8.250 nan 0.000 0.448 524 W N -0.006 121.158 121.300 -0.227 0.000 2.441 524 W HA -0.073 4.609 4.660 0.035 0.000 0.302 524 W C 1.779 178.213 176.519 -0.142 0.000 1.191 524 W CA 1.462 58.732 57.345 -0.125 0.000 1.327 524 W CB -0.209 29.206 29.460 -0.074 0.000 1.128 524 W HN -0.117 nan 8.180 nan 0.000 0.522 525 V N 2.391 122.280 119.914 -0.042 0.000 2.250 525 V HA -0.415 3.727 4.120 0.036 0.000 0.253 525 V C 2.278 178.122 176.094 -0.417 0.000 1.065 525 V CA 2.644 64.605 62.300 -0.565 0.000 1.039 525 V CB -1.505 29.811 31.823 -0.846 0.000 0.647 525 V HN 0.472 nan 8.190 nan 0.000 0.446 526 I N -0.374 119.973 120.570 -0.373 0.000 2.179 526 I HA -0.217 3.975 4.170 0.036 0.000 0.242 526 I C 2.071 178.007 176.117 -0.301 0.000 1.088 526 I CA 2.288 63.343 61.300 -0.408 0.000 1.357 526 I CB -0.827 36.772 38.000 -0.668 0.000 1.051 526 I HN 0.218 nan 8.210 nan 0.000 0.409 527 D N 0.973 121.213 120.400 -0.266 0.000 2.190 527 D HA -0.170 4.491 4.640 0.036 0.000 0.200 527 D C 2.189 178.271 176.300 -0.365 0.000 0.992 527 D CA 1.021 54.865 54.000 -0.261 0.000 0.854 527 D CB -0.297 40.374 40.800 -0.215 0.000 0.936 527 D HN 0.451 nan 8.370 nan 0.000 0.462 528 R N 0.361 120.603 120.500 -0.430 0.000 2.080 528 R HA 0.068 4.430 4.340 0.036 0.000 0.222 528 R C 2.503 178.717 176.300 -0.144 0.000 1.107 528 R CA 0.254 56.132 56.100 -0.370 0.000 0.980 528 R CB -0.421 29.604 30.300 -0.459 0.000 0.879 528 R HN 0.359 nan 8.270 nan 0.000 0.439 529 I N -1.085 119.462 120.570 -0.039 0.000 2.916 529 I HA -0.038 4.153 4.170 0.036 0.000 0.267 529 I C 1.183 177.269 176.117 -0.052 0.000 1.263 529 I CA 1.255 62.569 61.300 0.024 0.000 1.471 529 I CB -0.181 37.885 38.000 0.109 0.000 1.089 529 I HN -0.061 nan 8.210 nan 0.000 0.468 530 E N 1.317 121.416 120.200 -0.168 0.000 2.501 530 E HA 0.229 4.601 4.350 0.036 0.000 0.200 530 E C 1.287 177.618 176.600 -0.447 0.000 1.016 530 E CA 0.183 56.409 56.400 -0.291 0.000 0.921 530 E CB 0.366 29.831 29.700 -0.392 0.000 1.034 530 E HN 0.498 nan 8.360 nan 0.000 0.468 531 G N 1.944 110.588 108.800 -0.259 0.000 2.379 531 G HA2 -0.285 3.697 3.960 0.036 0.000 0.297 531 G HA3 -0.285 3.697 3.960 0.036 0.000 0.297 531 G C 0.176 175.063 174.900 -0.021 0.000 1.004 531 G CA 0.739 45.755 45.100 -0.139 0.000 0.921 531 G HN 0.429 nan 8.290 nan 0.000 0.511 532 H N -1.662 117.372 119.070 -0.060 0.000 2.505 532 H HA 0.409 4.987 4.556 0.036 0.000 0.286 532 H C 0.729 176.019 175.328 -0.063 0.000 1.072 532 H CA 0.394 56.418 56.048 -0.041 0.000 1.141 532 H CB 0.049 29.800 29.762 -0.017 0.000 1.550 532 H HN 0.853 nan 8.280 nan 0.000 0.547 533 V N -2.384 117.507 119.914 -0.038 0.000 2.851 533 V HA 0.814 4.955 4.120 0.036 0.000 0.307 533 V C 0.606 176.669 176.094 -0.051 0.000 1.129 533 V CA -1.021 61.242 62.300 -0.061 0.000 0.932 533 V CB 1.608 33.299 31.823 -0.220 0.000 1.024 533 V HN 0.221 nan 8.190 nan 0.000 0.426 534 G N 1.717 110.553 108.800 0.060 0.000 2.535 534 G HA2 0.873 4.854 3.960 0.036 0.000 0.282 534 G HA3 0.873 4.854 3.960 0.036 0.000 0.282 534 G C -0.208 174.828 174.900 0.227 0.000 1.350 534 G CA -0.216 44.940 45.100 0.092 0.000 1.039 534 G HN 1.927 nan 8.290 nan 0.000 0.509 535 A N -0.907 122.044 122.820 0.219 0.000 2.594 535 A HA 0.583 4.925 4.320 0.036 0.000 0.295 535 A C -1.542 176.157 177.584 0.191 0.000 1.071 535 A CA -0.644 51.576 52.037 0.306 0.000 0.685 535 A CB 1.646 20.870 19.000 0.374 0.000 1.285 535 A HN 0.442 nan 8.150 nan 0.000 0.405 536 D N 2.234 122.723 120.400 0.148 0.000 2.325 536 D HA 0.254 4.915 4.640 0.036 0.000 0.251 536 D C -0.216 176.135 176.300 0.083 0.000 1.196 536 D CA 0.262 54.315 54.000 0.089 0.000 0.866 536 D CB 0.930 41.755 40.800 0.042 0.000 1.101 536 D HN 0.357 nan 8.370 nan 0.000 0.476 537 E N 1.546 121.802 120.200 0.094 0.000 2.480 537 E HA 0.054 4.426 4.350 0.036 0.000 0.258 537 E C 0.490 177.089 176.600 -0.002 0.000 0.984 537 E CA 0.424 56.869 56.400 0.075 0.000 0.930 537 E CB 0.480 30.237 29.700 0.095 0.000 0.936 537 E HN 0.455 nan 8.360 nan 0.000 0.466 538 T N -1.875 112.639 114.554 -0.066 0.000 2.858 538 T HA 0.297 4.668 4.350 0.036 0.000 0.285 538 T C 1.199 175.781 174.700 -0.198 0.000 1.052 538 T CA -0.832 61.189 62.100 -0.131 0.000 1.009 538 T CB 0.960 69.727 68.868 -0.169 0.000 1.241 538 T HN 0.089 nan 8.240 nan 0.000 0.542 539 V N 0.735 120.474 119.914 -0.292 0.000 2.287 539 V HA -0.179 3.962 4.120 0.036 0.000 0.248 539 V C 2.734 178.526 176.094 -0.503 0.000 1.053 539 V CA 2.117 64.185 62.300 -0.386 0.000 1.027 539 V CB -0.740 30.813 31.823 -0.450 0.000 0.646 539 V HN 0.779 nan 8.190 nan 0.000 0.447 540 V N -0.665 118.818 119.914 -0.720 0.000 2.343 540 V HA 0.131 4.272 4.120 0.036 0.000 0.247 540 V C 1.170 177.051 176.094 -0.355 0.000 1.051 540 V CA 1.755 63.682 62.300 -0.622 0.000 1.036 540 V CB -1.000 30.506 31.823 -0.528 0.000 0.654 540 V HN 0.747 nan 8.190 nan 0.000 0.451 541 G N -2.023 106.532 108.800 -0.408 0.000 2.398 541 G HA2 0.107 4.089 3.960 0.036 0.000 0.251 541 G HA3 0.107 4.089 3.960 0.036 0.000 0.251 541 G C -1.172 173.441 174.900 -0.478 0.000 1.277 541 G CA -0.669 44.000 45.100 -0.719 0.000 0.927 541 G HN 0.227 nan 8.290 nan 0.000 0.477 542 H N 1.211 120.137 119.070 -0.240 0.000 3.082 542 H HA 0.414 4.991 4.556 0.035 0.000 0.275 542 H C -0.068 175.293 175.328 0.054 0.000 1.032 542 H CA 0.817 56.847 56.048 -0.029 0.000 1.477 542 H CB -0.203 29.572 29.762 0.022 0.000 1.520 542 H HN 0.388 nan 8.280 nan 0.000 0.521 543 T N 1.734 116.364 114.554 0.127 0.000 2.855 543 T HA 0.454 4.826 4.350 0.036 0.000 0.281 543 T C 0.574 175.242 174.700 -0.053 0.000 1.007 543 T CA -0.797 61.302 62.100 -0.001 0.000 1.009 543 T CB 1.717 70.533 68.868 -0.087 0.000 0.983 543 T HN 0.707 nan 8.240 nan 0.000 0.455 544 A N 2.544 125.047 122.820 -0.529 0.000 2.591 544 A HA 0.034 4.376 4.320 0.036 0.000 0.244 544 A C 1.484 178.910 177.584 -0.263 0.000 1.031 544 A CA 0.253 51.785 52.037 -0.842 0.000 0.767 544 A CB -0.000 18.086 19.000 -1.523 0.000 0.942 544 A HN 0.891 nan 8.150 nan 0.000 0.514 545 K N 2.122 122.517 120.400 -0.009 0.000 2.362 545 K HA 0.058 4.399 4.320 0.036 0.000 0.200 545 K C 1.583 178.180 176.600 -0.005 0.000 1.046 545 K CA 0.966 57.281 56.287 0.047 0.000 0.952 545 K CB -0.248 32.339 32.500 0.144 0.000 0.753 545 K HN 1.388 nan 8.250 nan 0.000 0.466 546 A N 0.872 123.651 122.820 -0.068 0.000 2.666 546 A HA -0.339 4.002 4.320 0.036 0.000 0.229 546 A C 1.578 179.176 177.584 0.023 0.000 0.648 546 A CA 1.666 53.675 52.037 -0.046 0.000 1.273 546 A CB -1.575 17.412 19.000 -0.022 0.000 1.323 546 A HN 0.568 nan 8.150 nan 0.000 0.692 547 E N -0.186 120.045 120.200 0.052 0.000 2.371 547 E HA 0.091 4.463 4.350 0.036 0.000 0.194 547 E C 0.682 177.348 176.600 0.111 0.000 1.012 547 E CA 0.927 57.371 56.400 0.074 0.000 0.860 547 E CB -0.261 29.480 29.700 0.068 0.000 0.811 547 E HN 0.561 nan 8.360 nan 0.000 0.502 548 D N 0.236 120.731 120.400 0.159 0.000 2.340 548 D HA 0.099 4.760 4.640 0.036 0.000 0.220 548 D C -0.441 176.036 176.300 0.294 0.000 1.039 548 D CA 0.058 54.211 54.000 0.254 0.000 0.866 548 D CB 0.198 41.247 40.800 0.415 0.000 0.913 548 D HN 0.102 nan 8.370 nan 0.000 0.523 549 L N 0.968 122.293 121.223 0.170 0.000 2.350 549 L HA 0.189 4.550 4.340 0.036 0.000 0.275 549 L C 0.275 177.225 176.870 0.134 0.000 1.099 549 L CA -0.217 54.708 54.840 0.141 0.000 0.808 549 L CB 1.205 43.288 42.059 0.041 0.000 1.149 549 L HN -0.160 nan 8.230 nan 0.000 0.442 550 D N 3.767 124.240 120.400 0.123 0.000 2.422 550 D HA 0.154 4.815 4.640 0.036 0.000 0.227 550 D C 0.530 176.879 176.300 0.082 0.000 1.190 550 D CA 0.035 54.090 54.000 0.091 0.000 0.905 550 D CB 0.647 41.488 40.800 0.069 0.000 1.034 550 D HN 0.439 nan 8.370 nan 0.000 0.507 551 L N 1.802 123.071 121.223 0.077 0.000 2.575 551 L HA 0.178 4.539 4.340 0.036 0.000 0.228 551 L C 0.691 177.575 176.870 0.025 0.000 1.075 551 L CA -0.301 54.573 54.840 0.057 0.000 0.867 551 L CB -0.092 42.010 42.059 0.071 0.000 1.097 551 L HN 0.087 nan 8.230 nan 0.000 0.485 552 D N 2.334 122.756 120.400 0.036 0.000 3.465 552 D HA 0.226 4.888 4.640 0.036 0.000 0.252 552 D C 1.200 177.507 176.300 0.012 0.000 1.399 552 D CA 1.787 55.803 54.000 0.028 0.000 0.946 552 D CB -0.237 40.588 40.800 0.041 0.000 1.183 552 D HN 0.495 nan 8.370 nan 0.000 0.622 553 G N 2.122 110.921 108.800 -0.002 0.000 2.159 553 G HA2 -0.211 3.770 3.960 0.036 0.000 0.170 553 G HA3 -0.211 3.770 3.960 0.036 0.000 0.170 553 G C 0.097 174.971 174.900 -0.043 0.000 1.007 553 G CA -0.683 44.406 45.100 -0.017 0.000 0.672 553 G HN 0.487 nan 8.290 nan 0.000 0.507 554 L N 1.784 122.977 121.223 -0.051 0.000 2.264 554 L HA 0.444 4.806 4.340 0.036 0.000 0.287 554 L C -0.252 176.573 176.870 -0.075 0.000 1.039 554 L CA -0.571 54.215 54.840 -0.089 0.000 0.829 554 L CB 0.898 42.890 42.059 -0.112 0.000 1.211 554 L HN 0.124 nan 8.230 nan 0.000 0.427 559 E N 1.235 121.462 120.200 0.045 0.000 3.673 559 E HA -0.199 4.172 4.350 0.036 0.000 0.309 559 E C 0.532 177.165 176.600 0.056 0.000 0.819 559 E CA 1.274 57.705 56.400 0.051 0.000 1.111 559 E CB -0.787 28.935 29.700 0.037 0.000 1.561 559 E HN 0.722 nan 8.360 nan 0.000 0.450 560 D N -0.336 120.105 120.400 0.068 0.000 2.363 560 D HA -0.001 4.660 4.640 0.036 0.000 0.226 560 D C 1.703 178.064 176.300 0.101 0.000 1.020 560 D CA 0.583 54.629 54.000 0.078 0.000 0.892 560 D CB 0.269 41.123 40.800 0.088 0.000 0.900 560 D HN 0.133 nan 8.370 nan 0.000 0.531 561 V N 1.497 121.475 119.914 0.108 0.000 2.453 561 V HA -0.262 3.879 4.120 0.036 0.000 0.247 561 V C 2.445 178.566 176.094 0.046 0.000 1.048 561 V CA 1.682 64.052 62.300 0.117 0.000 1.049 561 V CB -0.313 31.589 31.823 0.132 0.000 0.672 561 V HN 0.234 nan 8.190 nan 0.000 0.457 562 K N 1.452 121.874 120.400 0.037 0.000 2.148 562 K HA -0.181 4.160 4.320 0.036 0.000 0.204 562 K C 1.841 178.450 176.600 0.014 0.000 1.050 562 K CA 1.796 58.092 56.287 0.014 0.000 0.942 562 K CB -0.294 32.218 32.500 0.020 0.000 0.724 562 K HN 0.426 nan 8.250 nan 0.000 0.446 563 E N 1.806 122.025 120.200 0.031 0.000 2.015 563 E HA -0.061 4.310 4.350 0.036 0.000 0.191 563 E C 2.026 178.648 176.600 0.037 0.000 0.991 563 E CA 1.847 58.267 56.400 0.035 0.000 0.802 563 E CB -0.776 28.950 29.700 0.043 0.000 0.759 563 E HN 0.297 nan 8.360 nan 0.000 0.447 564 A N 0.415 123.266 122.820 0.052 0.000 2.032 564 A HA -0.138 4.204 4.320 0.036 0.000 0.221 564 A C 2.023 179.602 177.584 -0.009 0.000 1.165 564 A CA 1.520 53.584 52.037 0.046 0.000 0.645 564 A CB -0.630 18.420 19.000 0.083 0.000 0.807 564 A HN 0.382 nan 8.150 nan 0.000 0.453 565 L N 0.587 121.788 121.223 -0.038 0.000 2.599 565 L HA 0.071 4.433 4.340 0.036 0.000 0.230 565 L C 1.362 178.205 176.870 -0.044 0.000 1.141 565 L CA 1.216 56.007 54.840 -0.082 0.000 0.877 565 L CB -1.148 40.840 42.059 -0.120 0.000 1.009 565 L HN 0.523 nan 8.230 nan 0.000 0.447 566 T N -2.293 112.259 114.554 -0.003 0.000 2.897 566 T HA 0.546 4.917 4.350 0.036 0.000 0.294 566 T C 0.297 175.032 174.700 0.059 0.000 1.004 566 T CA -0.259 61.852 62.100 0.018 0.000 1.106 566 T CB 1.699 70.584 68.868 0.029 0.000 0.949 566 T HN 0.221 nan 8.240 nan 0.000 0.520 567 A N 4.280 127.127 122.820 0.044 0.000 3.047 567 A HA 0.578 4.920 4.320 0.036 0.000 0.337 567 A C -2.587 175.075 177.584 0.129 0.000 1.143 567 A CA -1.664 50.432 52.037 0.099 0.000 0.905 567 A CB -0.400 18.520 19.000 -0.133 0.000 1.088 567 A HN 0.687 nan 8.150 nan 0.000 0.488 568 P HA 0.188 nan 4.420 nan 0.000 0.266 568 P C 1.098 178.541 177.300 0.240 0.000 1.215 568 P CA 0.398 63.593 63.100 0.159 0.000 0.763 568 P CB 1.236 33.006 31.700 0.117 0.000 0.806 569 A N 4.801 127.707 122.820 0.142 0.000 1.978 569 A HA -0.218 4.124 4.320 0.036 0.000 0.220 569 A C 1.942 179.610 177.584 0.140 0.000 1.170 569 A CA 1.580 53.703 52.037 0.142 0.000 0.636 569 A CB -0.833 18.201 19.000 0.057 0.000 0.810 569 A HN 0.659 nan 8.150 nan 0.000 0.448 570 E N 0.073 120.331 120.200 0.095 0.000 2.204 570 E HA -0.257 4.114 4.350 0.036 0.000 0.194 570 E C 1.709 178.347 176.600 0.062 0.000 0.989 570 E CA 1.467 57.906 56.400 0.064 0.000 0.824 570 E CB -0.444 29.279 29.700 0.039 0.000 0.756 570 E HN 0.790 nan 8.360 nan 0.000 0.477 571 Q N -0.755 119.098 119.800 0.088 0.000 2.245 571 Q HA -0.055 4.306 4.340 0.036 0.000 0.201 571 Q C 1.438 177.394 176.000 -0.073 0.000 0.955 571 Q CA 1.145 56.957 55.803 0.015 0.000 0.870 571 Q CB -0.059 28.693 28.738 0.023 0.000 0.945 571 Q HN 0.387 nan 8.270 nan 0.000 0.461 572 W N -0.133 121.161 121.300 -0.011 0.000 2.640 572 W HA 0.156 4.837 4.660 0.035 0.000 0.268 572 W C 2.203 178.720 176.519 -0.003 0.000 1.263 572 W CA 0.732 58.073 57.345 -0.007 0.000 1.344 572 W CB 0.070 29.523 29.460 -0.012 0.000 1.093 572 W HN 0.081 nan 8.180 nan 0.000 0.603 573 A N 0.136 123.058 122.820 0.170 0.000 1.929 573 A HA -0.200 4.141 4.320 0.036 0.000 0.216 573 A C 1.980 179.593 177.584 0.049 0.000 1.176 573 A CA 1.592 53.685 52.037 0.094 0.000 0.628 573 A CB -0.860 18.183 19.000 0.072 0.000 0.816 573 A HN 0.283 nan 8.150 nan 0.000 0.444 574 N N 0.666 119.376 118.700 0.017 0.000 2.192 574 N HA -0.159 4.602 4.740 0.036 0.000 0.188 574 N C 0.433 175.918 175.510 -0.041 0.000 1.013 574 N CA 1.763 54.799 53.050 -0.024 0.000 0.863 574 N CB -0.192 38.261 38.487 -0.058 0.000 0.990 574 N HN 0.537 nan 8.380 nan 0.000 0.430 575 D N -0.606 119.761 120.400 -0.056 0.000 2.398 575 D HA 0.055 4.717 4.640 0.036 0.000 0.210 575 D C 1.817 178.166 176.300 0.082 0.000 1.094 575 D CA -0.040 53.933 54.000 -0.045 0.000 0.839 575 D CB 0.523 41.223 40.800 -0.167 0.000 0.963 575 D HN 0.038 nan 8.370 nan 0.000 0.506 576 V N 1.592 121.582 119.914 0.126 0.000 2.282 576 V HA -0.297 3.844 4.120 0.036 0.000 0.249 576 V C 2.611 178.883 176.094 0.296 0.000 1.057 576 V CA 1.975 64.418 62.300 0.239 0.000 1.032 576 V CB -0.397 31.502 31.823 0.126 0.000 0.645 576 V HN 0.116 nan 8.190 nan 0.000 0.447 577 E N 0.347 120.647 120.200 0.166 0.000 2.051 577 E HA -0.238 4.134 4.350 0.036 0.000 0.192 577 E C 2.049 178.723 176.600 0.122 0.000 0.991 577 E CA 1.754 58.236 56.400 0.137 0.000 0.799 577 E CB -0.520 29.227 29.700 0.078 0.000 0.748 577 E HN 0.640 nan 8.360 nan 0.000 0.449 578 D N -0.502 119.961 120.400 0.105 0.000 2.087 578 D HA -0.185 4.477 4.640 0.036 0.000 0.192 578 D C 1.532 177.918 176.300 0.144 0.000 0.993 578 D CA 1.321 55.390 54.000 0.114 0.000 0.828 578 D CB -0.176 40.677 40.800 0.087 0.000 0.968 578 D HN 0.126 nan 8.370 nan 0.000 0.448 579 N N 0.899 119.699 118.700 0.166 0.000 2.037 579 N HA -0.208 4.554 4.740 0.036 0.000 0.196 579 N C 1.837 177.179 175.510 -0.281 0.000 1.034 579 N CA 1.746 54.839 53.050 0.071 0.000 0.861 579 N CB -0.847 37.818 38.487 0.296 0.000 1.039 579 N HN 0.260 nan 8.380 nan 0.000 0.427 580 A N 1.288 123.995 122.820 -0.188 0.000 1.908 580 A HA -0.195 4.147 4.320 0.036 0.000 0.218 580 A C 2.083 179.596 177.584 -0.118 0.000 1.181 580 A CA 1.736 53.617 52.037 -0.259 0.000 0.627 580 A CB -0.543 18.588 19.000 0.218 0.000 0.818 580 A HN 0.466 nan 8.150 nan 0.000 0.445 581 E N -1.855 118.334 120.200 -0.019 0.000 2.106 581 E HA -0.179 4.192 4.350 0.036 0.000 0.192 581 E C 1.864 178.447 176.600 -0.029 0.000 0.984 581 E CA 1.145 57.542 56.400 -0.006 0.000 0.806 581 E CB -0.343 29.367 29.700 0.018 0.000 0.750 581 E HN 0.731 nan 8.360 nan 0.000 0.458 582 Y N 2.075 122.266 120.300 -0.183 0.000 2.014 582 Y HA -0.296 4.275 4.550 0.035 0.000 0.270 582 Y C 2.200 178.006 175.900 -0.156 0.000 1.145 582 Y CA 1.713 59.656 58.100 -0.262 0.000 1.106 582 Y CB -0.518 37.532 38.460 -0.684 0.000 0.968 582 Y HN -0.060 nan 8.280 nan 0.000 0.484 583 L N -1.110 119.958 121.223 -0.259 0.000 2.064 583 L HA -0.375 3.986 4.340 0.036 0.000 0.216 583 L C 2.244 179.017 176.870 -0.162 0.000 1.077 583 L CA 2.120 56.795 54.840 -0.275 0.000 0.766 583 L CB -1.227 40.627 42.059 -0.341 0.000 0.890 583 L HN 0.308 nan 8.230 nan 0.000 0.435 584 T N -0.465 114.034 114.554 -0.092 0.000 2.770 584 T HA -0.170 4.201 4.350 0.036 0.000 0.263 584 T C 1.570 176.214 174.700 -0.093 0.000 1.039 584 T CA 1.197 63.272 62.100 -0.041 0.000 1.142 584 T CB -0.363 68.493 68.868 -0.019 0.000 0.868 584 T HN 0.267 nan 8.240 nan 0.000 0.435 585 F N 2.476 122.262 119.950 -0.274 0.000 2.087 585 F HA -0.148 4.402 4.527 0.037 0.000 0.299 585 F C 1.800 177.395 175.800 -0.342 0.000 1.100 585 F CA 1.277 59.084 58.000 -0.322 0.000 1.226 585 F CB -0.760 37.972 39.000 -0.447 0.000 0.983 585 F HN 0.059 nan 8.300 nan 0.000 0.479 586 L N 0.046 120.882 121.223 -0.645 0.000 2.261 586 L HA 0.041 4.402 4.340 0.036 0.000 0.216 586 L C 1.480 178.098 176.870 -0.420 0.000 1.114 586 L CA 0.655 55.118 54.840 -0.628 0.000 0.777 586 L CB -1.663 40.124 42.059 -0.453 0.000 0.910 586 L HN 0.584 nan 8.230 nan 0.000 0.440 587 G N -1.022 107.601 108.800 -0.296 0.000 2.526 587 G HA2 -0.175 3.807 3.960 0.036 0.000 0.250 587 G HA3 -0.175 3.807 3.960 0.036 0.000 0.250 587 G C -2.261 172.576 174.900 -0.105 0.000 1.289 587 G CA -0.330 44.642 45.100 -0.213 0.000 0.947 587 G HN -0.058 nan 8.290 nan 0.000 0.517 588 P HA -0.010 nan 4.420 nan 0.000 0.216 588 P C 1.699 178.990 177.300 -0.015 0.000 1.150 588 P CA 1.287 64.358 63.100 -0.047 0.000 0.837 588 P CB -0.024 31.641 31.700 -0.058 0.000 0.786 589 R N -0.770 119.713 120.500 -0.028 0.000 2.323 589 R HA 0.088 4.449 4.340 0.036 0.000 0.198 589 R C 0.125 176.432 176.300 0.011 0.000 0.988 589 R CA -0.046 56.053 56.100 -0.002 0.000 1.041 589 R CB -0.606 29.693 30.300 -0.001 0.000 0.926 589 R HN 0.024 nan 8.270 nan 0.000 0.476 590 V N 3.598 123.514 119.914 0.004 0.000 2.557 590 V HA 0.014 4.155 4.120 0.036 0.000 0.301 590 V C -1.947 174.158 176.094 0.018 0.000 1.026 590 V CA -1.185 61.098 62.300 -0.027 0.000 1.137 590 V CB 0.519 32.275 31.823 -0.112 0.000 0.917 590 V HN 0.112 nan 8.190 nan 0.000 0.484 591 P HA -0.061 nan 4.420 nan 0.000 0.261 591 P C 0.501 177.851 177.300 0.084 0.000 1.165 591 P CA 0.477 63.601 63.100 0.040 0.000 0.759 591 P CB 0.488 32.208 31.700 0.032 0.000 0.772 592 A N 3.811 126.716 122.820 0.143 0.000 2.216 592 A HA -0.156 4.185 4.320 0.036 0.000 0.214 592 A C 1.607 179.280 177.584 0.148 0.000 1.160 592 A CA 1.325 53.478 52.037 0.194 0.000 0.725 592 A CB -0.626 18.449 19.000 0.125 0.000 0.784 592 A HN 0.491 nan 8.150 nan 0.000 0.472 593 E N -1.056 119.207 120.200 0.104 0.000 2.318 593 E HA 0.036 4.407 4.350 0.036 0.000 0.193 593 E C 1.767 178.414 176.600 0.078 0.000 0.998 593 E CA 0.581 57.039 56.400 0.098 0.000 0.859 593 E CB -0.143 29.619 29.700 0.104 0.000 0.812 593 E HN 0.310 nan 8.360 nan 0.000 0.492 594 V N 0.644 120.565 119.914 0.012 0.000 2.358 594 V HA -0.266 3.875 4.120 0.036 0.000 0.246 594 V C 1.662 177.730 176.094 -0.043 0.000 1.047 594 V CA 1.997 64.258 62.300 -0.066 0.000 1.035 594 V CB -0.499 31.209 31.823 -0.191 0.000 0.658 594 V HN 0.341 nan 8.190 nan 0.000 0.452 595 H N -0.659 118.457 119.070 0.077 0.000 2.321 595 H HA -0.163 4.415 4.556 0.036 0.000 0.300 595 H C 2.635 178.047 175.328 0.141 0.000 1.087 595 H CA 1.814 57.928 56.048 0.110 0.000 1.319 595 H CB -0.241 29.561 29.762 0.066 0.000 1.379 595 H HN 0.358 nan 8.280 nan 0.000 0.501 596 S N -0.002 115.826 115.700 0.213 0.000 2.378 596 S HA -0.300 4.191 4.470 0.036 0.000 0.229 596 S C 2.126 176.798 174.600 0.120 0.000 1.052 596 S CA 1.767 60.050 58.200 0.138 0.000 1.084 596 S CB -0.151 63.111 63.200 0.103 0.000 0.950 596 S HN 0.414 nan 8.310 nan 0.000 0.440 597 Q N -0.569 119.312 119.800 0.135 0.000 2.050 597 Q HA -0.084 4.277 4.340 0.036 0.000 0.202 597 Q C 1.974 178.073 176.000 0.165 0.000 0.980 597 Q CA 1.423 57.307 55.803 0.135 0.000 0.840 597 Q CB -0.689 28.155 28.738 0.178 0.000 0.898 597 Q HN 0.754 nan 8.270 nan 0.000 0.424 598 F N 2.342 122.337 119.950 0.075 0.000 2.161 598 F HA -0.244 4.304 4.527 0.036 0.000 0.300 598 F C 1.561 177.409 175.800 0.079 0.000 1.089 598 F CA 1.418 59.470 58.000 0.086 0.000 1.282 598 F CB 0.142 39.192 39.000 0.084 0.000 1.010 598 F HN 0.048 nan 8.300 nan 0.000 0.485 599 D N 0.566 120.998 120.400 0.054 0.000 2.097 599 D HA -0.171 4.490 4.640 0.036 0.000 0.195 599 D C 2.418 178.662 176.300 -0.093 0.000 0.989 599 D CA 1.491 55.463 54.000 -0.048 0.000 0.827 599 D CB -0.766 40.063 40.800 0.047 0.000 0.966 599 D HN 0.387 nan 8.370 nan 0.000 0.456 600 A N 0.891 123.682 122.820 -0.049 0.000 1.940 600 A HA -0.169 4.173 4.320 0.036 0.000 0.219 600 A C 2.173 179.696 177.584 -0.101 0.000 1.176 600 A CA 1.146 53.137 52.037 -0.077 0.000 0.631 600 A CB -0.671 18.282 19.000 -0.078 0.000 0.814 600 A HN 0.254 nan 8.150 nan 0.000 0.446 601 L N -0.443 120.721 121.223 -0.099 0.000 2.027 601 L HA -0.088 4.273 4.340 0.036 0.000 0.206 601 L C 2.178 178.948 176.870 -0.167 0.000 1.074 601 L CA 2.292 57.071 54.840 -0.102 0.000 0.745 601 L CB -0.561 41.482 42.059 -0.026 0.000 0.898 601 L HN 0.323 nan 8.230 nan 0.000 0.433 602 K N -0.519 119.704 120.400 -0.296 0.000 2.002 602 K HA -0.141 4.200 4.320 0.036 0.000 0.209 602 K C 2.114 178.625 176.600 -0.148 0.000 1.048 602 K CA 1.485 57.601 56.287 -0.286 0.000 0.930 602 K CB -0.455 31.812 32.500 -0.388 0.000 0.714 602 K HN 0.496 nan 8.250 nan 0.000 0.438 603 A N 1.482 124.227 122.820 -0.125 0.000 1.917 603 A HA -0.238 4.103 4.320 0.036 0.000 0.219 603 A C 2.037 179.573 177.584 -0.079 0.000 1.182 603 A CA 1.719 53.705 52.037 -0.085 0.000 0.633 603 A CB -0.473 18.482 19.000 -0.076 0.000 0.819 603 A HN 0.147 nan 8.150 nan 0.000 0.448 604 R N -0.111 120.334 120.500 -0.093 0.000 2.112 604 R HA -0.167 4.194 4.340 0.036 0.000 0.242 604 R C 1.901 178.155 176.300 -0.076 0.000 1.137 604 R CA 2.004 58.050 56.100 -0.090 0.000 0.944 604 R CB -1.055 29.179 30.300 -0.110 0.000 0.857 604 R HN 0.674 nan 8.270 nan 0.000 0.435 605 I N 0.260 120.791 120.570 -0.065 0.000 2.127 605 I HA -0.257 3.934 4.170 0.036 0.000 0.241 605 I C 1.433 177.542 176.117 -0.014 0.000 1.075 605 I CA 1.194 62.481 61.300 -0.021 0.000 1.334 605 I CB -0.532 37.491 38.000 0.038 0.000 1.040 605 I HN 0.201 nan 8.210 nan 0.000 0.405 606 S N 0.000 115.685 115.700 -0.024 0.000 2.498 606 S HA 0.000 4.491 4.470 0.036 0.000 0.327 606 S CA 0.000 58.190 58.200 -0.016 0.000 1.107 606 S CB 0.000 63.188 63.200 -0.019 0.000 0.593 606 S HN 0.000 nan 8.310 nan 0.000 0.517