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 3omb_1_A DATA FIRST_RESID 32 DATA SEQUENCE TTTADGKPIV TVLVKKNANQ EKXANXQWAK DLEADCDCKI EWQEVTREAW DATA SEQUENCE AQQKNATLAS GDIADVNLNG YGAVEAYQYP GXFEDLSKDL DKLPNVKAFF DATA SEQUENCE KQKPDAKKXS TDSKGRIYAI ADGRGKAYSG TGQHXLINKA WLDKLGLQVP DATA SEQUENCE TTWDELENVL KAFKTQDPNG NGQADEIPXN IKKLEGSYFT WYSPXLLLNS DATA SEQUENCE TGIVTGFNKG VSEYGFYAKN GVVKSFLTSD EYKEVIKYYH KLISEGLIPA DATA SEQUENCE EWATKDDDAY NADQISDGKT AKTGVVFGWS PSDNFGKLKD QYIAXPVPSA DATA SEQUENCE PGVSPDQTVW DGSSSELSPA GLSISSHAAN KDAALKLANL LYSEKYSVQQ DATA SEQUENCE FLGSFGKAIT KTGEHEYTVD NDKLSQLTGD NQYPGLSELL VGWIPDEATI DATA SEQUENCE KGDTHADELI EVNKVYEEQR SHFDPVKDYI PDYVNXDNXD PSDATKLNTN DATA SEQUENCE NAEIFNTTXQ KTATWXSKGG IDEEWDAYCK QLDSIGLQES TKIWQKWYDT DATA SEQUENCE YTK 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 32 T HA 0.000 nan 4.350 nan 0.000 0.228 32 T C 0.000 174.686 174.700 -0.024 0.000 1.109 32 T CA 0.000 62.087 62.100 -0.022 0.000 1.349 32 T CB 0.000 68.857 68.868 -0.018 0.000 0.612 33 T N 2.045 116.587 114.554 -0.021 0.000 2.912 33 T HA 0.623 4.974 4.350 0.001 0.000 0.299 33 T C 0.416 175.105 174.700 -0.018 0.000 1.052 33 T CA 0.559 62.648 62.100 -0.020 0.000 0.996 33 T CB 1.346 70.205 68.868 -0.015 0.000 1.070 33 T HN 0.615 nan 8.240 nan 0.000 0.465 34 T N 1.611 116.153 114.554 -0.019 0.000 2.698 34 T HA 0.520 4.871 4.350 0.001 0.000 0.295 34 T C 1.843 176.536 174.700 -0.012 0.000 1.007 34 T CA 0.060 62.151 62.100 -0.016 0.000 0.980 34 T CB 0.174 69.032 68.868 -0.017 0.000 1.036 34 T HN 0.719 nan 8.240 nan 0.000 0.526 35 A N 0.329 123.143 122.820 -0.009 0.000 1.969 35 A HA -0.009 4.312 4.320 0.001 0.000 0.218 35 A C 1.846 179.426 177.584 -0.005 0.000 1.169 35 A CA 1.340 53.373 52.037 -0.007 0.000 0.635 35 A CB -0.808 18.188 19.000 -0.006 0.000 0.810 35 A HN 0.865 nan 8.150 nan 0.000 0.445 36 D N -1.002 119.395 120.400 -0.006 0.000 2.349 36 D HA 0.235 4.876 4.640 0.001 0.000 0.224 36 D C 1.298 177.596 176.300 -0.004 0.000 1.029 36 D CA 1.017 55.015 54.000 -0.004 0.000 0.879 36 D CB -0.096 40.703 40.800 -0.003 0.000 0.906 36 D HN 0.609 nan 8.370 nan 0.000 0.528 37 G N 1.108 109.904 108.800 -0.007 0.000 2.136 37 G HA2 -0.264 3.697 3.960 0.001 0.000 0.242 37 G HA3 -0.264 3.697 3.960 0.001 0.000 0.242 37 G C 0.179 175.073 174.900 -0.009 0.000 0.989 37 G CA -0.210 44.886 45.100 -0.007 0.000 0.682 37 G HN 0.135 nan 8.290 nan 0.000 0.522 38 K N 0.728 121.120 120.400 -0.012 0.000 2.298 38 K HA 0.414 4.735 4.320 0.001 0.000 0.280 38 K C -2.419 174.168 176.600 -0.022 0.000 1.032 38 K CA -2.152 54.125 56.287 -0.016 0.000 0.958 38 K CB 0.818 33.308 32.500 -0.017 0.000 0.978 38 K HN 0.098 nan 8.250 nan 0.000 0.472 39 P HA 0.160 nan 4.420 nan 0.000 0.268 39 P C -0.202 177.070 177.300 -0.046 0.000 1.205 39 P CA 0.045 63.126 63.100 -0.032 0.000 0.771 39 P CB 0.407 32.090 31.700 -0.030 0.000 0.858 40 I N 2.300 122.840 120.570 -0.050 0.000 2.359 40 I HA 0.281 4.452 4.170 0.001 0.000 0.294 40 I C -0.299 175.768 176.117 -0.084 0.000 0.987 40 I CA -0.727 60.531 61.300 -0.070 0.000 1.225 40 I CB 1.421 39.386 38.000 -0.059 0.000 1.366 40 I HN -0.032 nan 8.210 nan 0.000 0.466 41 V N 4.258 124.097 119.914 -0.125 0.000 2.407 41 V HA 0.285 4.406 4.120 0.001 0.000 0.291 41 V C 0.149 176.126 176.094 -0.195 0.000 1.018 41 V CA -0.756 61.459 62.300 -0.142 0.000 0.842 41 V CB 1.687 33.417 31.823 -0.155 0.000 0.996 41 V HN 0.839 nan 8.190 nan 0.000 0.426 42 T N 2.225 116.695 114.554 -0.141 0.000 2.832 42 T HA 0.653 5.004 4.350 0.001 0.000 0.296 42 T C -0.422 174.185 174.700 -0.155 0.000 0.968 42 T CA -0.529 61.485 62.100 -0.142 0.000 1.107 42 T CB 1.336 70.161 68.868 -0.071 0.000 0.916 42 T HN 0.364 nan 8.240 nan 0.000 0.517 43 V N 4.577 124.368 119.914 -0.206 0.000 2.482 43 V HA 0.398 4.519 4.120 0.001 0.000 0.295 43 V C -0.219 175.861 176.094 -0.024 0.000 1.026 43 V CA -1.030 61.173 62.300 -0.161 0.000 0.856 43 V CB 1.449 33.027 31.823 -0.409 0.000 1.001 43 V HN 0.998 nan 8.190 nan 0.000 0.424 44 L N 5.823 127.043 121.223 -0.004 0.000 2.349 44 L HA 0.786 5.127 4.340 0.001 0.000 0.275 44 L C -0.457 176.388 176.870 -0.041 0.000 1.115 44 L CA 0.231 55.035 54.840 -0.060 0.000 0.820 44 L CB 1.489 43.445 42.059 -0.171 0.000 1.135 44 L HN 0.538 nan 8.230 nan 0.000 0.445 45 V N 6.059 125.946 119.914 -0.046 0.000 2.612 45 V HA 0.369 4.490 4.120 0.001 0.000 0.301 45 V C -0.565 175.444 176.094 -0.141 0.000 1.059 45 V CA -0.782 61.508 62.300 -0.018 0.000 0.886 45 V CB 1.687 33.606 31.823 0.160 0.000 1.007 45 V HN 0.910 nan 8.190 nan 0.000 0.426 46 K N 5.770 126.052 120.400 -0.196 0.000 2.298 46 K HA 0.459 4.779 4.320 0.001 0.000 0.280 46 K C -0.636 175.910 176.600 -0.090 0.000 1.032 46 K CA -0.459 55.717 56.287 -0.184 0.000 0.958 46 K CB 0.593 32.977 32.500 -0.193 0.000 0.978 46 K HN 0.606 nan 8.250 nan 0.000 0.472 47 K N 2.542 122.900 120.400 -0.071 0.000 2.395 47 K HA 0.336 4.657 4.320 0.001 0.000 0.247 47 K C -0.648 175.920 176.600 -0.055 0.000 0.973 47 K CA -1.046 55.207 56.287 -0.056 0.000 0.828 47 K CB 1.263 33.730 32.500 -0.055 0.000 1.272 47 K HN 0.577 nan 8.250 nan 0.000 0.439 48 N N 0.382 119.041 118.700 -0.069 0.000 2.524 48 N HA 0.155 4.896 4.740 0.001 0.000 0.283 48 N C 0.791 176.264 175.510 -0.061 0.000 1.142 48 N CA -0.082 52.919 53.050 -0.081 0.000 0.984 48 N CB 1.459 39.866 38.487 -0.134 0.000 1.155 48 N HN 0.672 nan 8.380 nan 0.000 0.467 49 A N 1.907 124.695 122.820 -0.054 0.000 2.076 49 A HA -0.219 4.101 4.320 0.001 0.000 0.220 49 A C 1.423 178.985 177.584 -0.037 0.000 1.160 49 A CA 1.473 53.487 52.037 -0.039 0.000 0.653 49 A CB -0.539 18.441 19.000 -0.033 0.000 0.801 49 A HN 0.794 nan 8.150 nan 0.000 0.455 50 N N -0.074 118.596 118.700 -0.050 0.000 2.461 50 N HA -0.018 4.723 4.740 0.001 0.000 0.188 50 N C 0.178 175.698 175.510 0.016 0.000 1.134 50 N CA 0.164 53.197 53.050 -0.029 0.000 0.878 50 N CB -0.402 38.053 38.487 -0.053 0.000 0.972 50 N HN 0.611 nan 8.380 nan 0.000 0.456 51 Q N 0.609 120.414 119.800 0.008 0.000 2.235 51 Q HA 0.136 4.477 4.340 0.001 0.000 0.250 51 Q C -0.342 175.662 176.000 0.006 0.000 0.909 51 Q CA -0.672 55.161 55.803 0.050 0.000 0.910 51 Q CB 1.673 30.434 28.738 0.038 0.000 1.223 51 Q HN 0.382 nan 8.270 nan 0.000 0.432 52 E N 2.276 122.478 120.200 0.004 0.000 2.436 52 E HA -0.050 4.300 4.350 0.001 0.000 0.262 52 E C -0.596 175.948 176.600 -0.094 0.000 1.063 52 E CA 0.017 56.388 56.400 -0.049 0.000 0.944 52 E CB 0.707 30.371 29.700 -0.060 0.000 0.950 52 E HN 0.276 nan 8.360 nan 0.000 0.444 59 W N 1.179 122.466 121.300 -0.022 0.000 2.374 59 W HA 0.161 4.822 4.660 0.001 0.000 0.288 59 W C 1.161 177.735 176.519 0.091 0.000 1.218 59 W CA 1.401 58.781 57.345 0.058 0.000 1.245 59 W CB -0.990 28.465 29.460 -0.009 0.000 1.126 59 W HN 0.286 nan 8.180 nan 0.000 0.545 60 A N 1.622 123.978 122.820 -0.774 0.000 1.968 60 A HA -0.129 4.192 4.320 0.001 0.000 0.217 60 A C 2.148 179.656 177.584 -0.127 0.000 1.169 60 A CA 1.701 53.349 52.037 -0.648 0.000 0.638 60 A CB -0.561 17.793 19.000 -1.076 0.000 0.812 60 A HN 0.326 nan 8.150 nan 0.000 0.446 61 K N -0.246 120.083 120.400 -0.118 0.000 2.062 61 K HA -0.084 4.237 4.320 0.001 0.000 0.205 61 K C 1.430 178.057 176.600 0.046 0.000 1.051 61 K CA 1.239 57.519 56.287 -0.012 0.000 0.941 61 K CB -0.175 32.311 32.500 -0.025 0.000 0.719 61 K HN 0.327 nan 8.250 nan 0.000 0.440 62 D N 1.270 121.736 120.400 0.110 0.000 2.104 62 D HA -0.187 4.454 4.640 0.001 0.000 0.194 62 D C 1.853 178.255 176.300 0.171 0.000 0.994 62 D CA 0.906 55.034 54.000 0.213 0.000 0.830 62 D CB -0.298 40.729 40.800 0.379 0.000 0.959 62 D HN 0.009 nan 8.370 nan 0.000 0.452 63 L N 1.238 122.465 121.223 0.005 0.000 2.012 63 L HA -0.194 4.147 4.340 0.001 0.000 0.210 63 L C 2.176 178.975 176.870 -0.118 0.000 1.073 63 L CA 1.943 56.567 54.840 -0.361 0.000 0.748 63 L CB -0.546 41.279 42.059 -0.390 0.000 0.891 63 L HN 0.007 nan 8.230 nan 0.000 0.431 64 E N -0.660 119.520 120.200 -0.033 0.000 2.058 64 E HA -0.283 4.068 4.350 0.001 0.000 0.194 64 E C 2.083 178.679 176.600 -0.006 0.000 0.997 64 E CA 1.437 57.822 56.400 -0.026 0.000 0.801 64 E CB -0.276 29.422 29.700 -0.003 0.000 0.746 64 E HN 0.633 nan 8.360 nan 0.000 0.450 65 A N 0.973 123.808 122.820 0.025 0.000 1.902 65 A HA -0.210 4.111 4.320 0.001 0.000 0.217 65 A C 1.819 179.436 177.584 0.054 0.000 1.181 65 A CA 1.886 53.949 52.037 0.042 0.000 0.623 65 A CB -0.528 18.509 19.000 0.061 0.000 0.818 65 A HN 0.289 nan 8.150 nan 0.000 0.443 66 D N -0.772 119.674 120.400 0.077 0.000 2.178 66 D HA -0.095 4.546 4.640 0.001 0.000 0.202 66 D C 1.888 178.223 176.300 0.057 0.000 0.974 66 D CA 1.054 55.115 54.000 0.100 0.000 0.841 66 D CB -0.502 40.412 40.800 0.189 0.000 0.953 66 D HN 0.440 nan 8.370 nan 0.000 0.478 67 C N -0.063 119.246 119.300 0.016 0.000 2.457 67 C HA -0.088 4.373 4.460 0.001 0.000 0.278 67 C C 0.833 175.825 174.990 0.004 0.000 1.309 67 C CA 0.235 59.254 59.018 0.001 0.000 1.735 67 C CB -0.610 27.110 27.740 -0.034 0.000 1.992 67 C HN 0.453 nan 8.230 nan 0.000 0.493 68 D N -1.136 119.267 120.400 0.004 0.000 2.809 68 D HA -0.148 4.492 4.640 0.001 0.000 0.234 68 D C -0.234 176.058 176.300 -0.012 0.000 1.111 68 D CA 0.851 54.853 54.000 0.003 0.000 0.726 68 D CB -1.335 39.471 40.800 0.011 0.000 1.089 68 D HN 0.693 nan 8.370 nan 0.000 0.436 69 C N -1.077 118.207 119.300 -0.027 0.000 3.307 69 C HA 0.873 5.333 4.460 0.001 0.000 0.350 69 C C -0.410 174.546 174.990 -0.057 0.000 1.549 69 C CA -1.134 57.857 59.018 -0.044 0.000 1.396 69 C CB 1.664 29.368 27.740 -0.060 0.000 1.970 69 C HN 0.428 nan 8.230 nan 0.000 0.441 70 K N 0.803 121.158 120.400 -0.075 0.000 2.323 70 K HA 0.751 5.071 4.320 0.001 0.000 0.259 70 K C -1.362 175.147 176.600 -0.153 0.000 0.947 70 K CA -0.455 55.780 56.287 -0.087 0.000 0.819 70 K CB 0.849 33.311 32.500 -0.063 0.000 1.109 70 K HN 0.732 nan 8.250 nan 0.000 0.429 71 I N 3.814 124.254 120.570 -0.216 0.000 2.331 71 I HA 0.181 4.351 4.170 0.001 0.000 0.292 71 I C -0.170 175.696 176.117 -0.420 0.000 0.998 71 I CA -0.521 60.518 61.300 -0.435 0.000 1.267 71 I CB 1.595 39.157 38.000 -0.730 0.000 1.386 71 I HN 0.556 nan 8.210 nan 0.000 0.476 72 E N 5.983 125.962 120.200 -0.368 0.000 2.055 72 E HA 0.183 4.534 4.350 0.001 0.000 0.274 72 E C -1.447 175.010 176.600 -0.238 0.000 0.949 72 E CA -0.543 55.730 56.400 -0.212 0.000 0.775 72 E CB 0.872 30.505 29.700 -0.111 0.000 1.097 72 E HN 0.385 nan 8.360 nan 0.000 0.404 73 W N 2.272 123.539 121.300 -0.055 0.000 2.266 73 W HA 0.130 4.791 4.660 0.001 0.000 0.317 73 W C 0.637 177.124 176.519 -0.054 0.000 1.310 73 W CA -0.306 57.002 57.345 -0.062 0.000 1.207 73 W CB 0.708 30.118 29.460 -0.083 0.000 1.199 73 W HN 0.326 nan 8.180 nan 0.000 0.544 74 Q N 3.491 123.401 119.800 0.184 0.000 2.456 74 Q HA 0.179 4.520 4.340 0.001 0.000 0.252 74 Q C -0.815 175.220 176.000 0.059 0.000 1.042 74 Q CA -0.326 55.531 55.803 0.089 0.000 0.766 74 Q CB 0.745 29.504 28.738 0.035 0.000 1.196 74 Q HN 0.515 nan 8.270 nan 0.000 0.504 75 E N 2.141 122.371 120.200 0.050 0.000 2.200 75 E HA 0.342 4.693 4.350 0.001 0.000 0.283 75 E C -0.660 175.928 176.600 -0.021 0.000 1.015 75 E CA -0.552 55.847 56.400 -0.002 0.000 0.819 75 E CB 1.574 31.261 29.700 -0.022 0.000 1.081 75 E HN 0.399 nan 8.360 nan 0.000 0.397 76 V N -0.037 119.840 119.914 -0.063 0.000 2.638 76 V HA 0.516 4.637 4.120 0.001 0.000 0.306 76 V C 0.201 176.286 176.094 -0.014 0.000 1.052 76 V CA -1.057 61.232 62.300 -0.018 0.000 0.885 76 V CB 1.368 33.189 31.823 -0.004 0.000 0.999 76 V HN 0.758 nan 8.190 nan 0.000 0.424 77 T N 1.420 115.992 114.554 0.030 0.000 2.788 77 T HA 0.372 4.722 4.350 0.001 0.000 0.287 77 T C 1.117 175.858 174.700 0.068 0.000 1.007 77 T CA -0.056 62.057 62.100 0.023 0.000 1.005 77 T CB 0.831 69.709 68.868 0.016 0.000 1.012 77 T HN 0.760 nan 8.240 nan 0.000 0.530 78 R N 0.739 121.264 120.500 0.041 0.000 2.117 78 R HA -0.130 4.210 4.340 0.001 0.000 0.243 78 R C 2.453 178.809 176.300 0.094 0.000 1.143 78 R CA 2.195 58.336 56.100 0.067 0.000 0.968 78 R CB -0.244 30.065 30.300 0.016 0.000 0.863 78 R HN 0.820 nan 8.270 nan 0.000 0.444 79 E N 0.101 120.338 120.200 0.061 0.000 2.140 79 E HA 0.012 4.363 4.350 0.001 0.000 0.191 79 E C 2.006 178.640 176.600 0.058 0.000 0.973 79 E CA 0.717 57.143 56.400 0.043 0.000 0.829 79 E CB -0.056 29.656 29.700 0.021 0.000 0.781 79 E HN 0.287 nan 8.360 nan 0.000 0.466 80 A N 2.234 125.104 122.820 0.084 0.000 1.930 80 A HA -0.151 4.170 4.320 0.001 0.000 0.217 80 A C 1.882 179.562 177.584 0.161 0.000 1.175 80 A CA 0.886 52.983 52.037 0.099 0.000 0.627 80 A CB -1.143 17.917 19.000 0.100 0.000 0.815 80 A HN 0.589 nan 8.150 nan 0.000 0.443 81 W N 0.681 121.966 121.300 -0.025 0.000 2.381 81 W HA -0.144 4.517 4.660 0.001 0.000 0.301 81 W C 2.259 178.760 176.519 -0.030 0.000 1.205 81 W CA 1.315 58.639 57.345 -0.035 0.000 1.285 81 W CB -0.078 29.349 29.460 -0.056 0.000 1.133 81 W HN 0.433 nan 8.180 nan 0.000 0.521 82 A N 0.772 123.553 122.820 -0.064 0.000 1.948 82 A HA -0.308 4.013 4.320 0.001 0.000 0.220 82 A C 1.800 179.267 177.584 -0.196 0.000 1.177 82 A CA 2.235 54.172 52.037 -0.166 0.000 0.636 82 A CB -0.898 18.070 19.000 -0.053 0.000 0.815 82 A HN 0.549 nan 8.150 nan 0.000 0.449 83 Q N -1.685 118.037 119.800 -0.130 0.000 2.163 83 Q HA -0.045 4.296 4.340 0.001 0.000 0.198 83 Q C 2.242 178.147 176.000 -0.158 0.000 0.954 83 Q CA 1.213 56.949 55.803 -0.111 0.000 0.851 83 Q CB -0.012 28.697 28.738 -0.048 0.000 0.928 83 Q HN 0.799 nan 8.270 nan 0.000 0.459 84 Q N 0.267 119.952 119.800 -0.191 0.000 2.269 84 Q HA -0.090 4.251 4.340 0.001 0.000 0.201 84 Q C 1.736 177.460 176.000 -0.461 0.000 0.946 84 Q CA 0.624 56.314 55.803 -0.188 0.000 0.877 84 Q CB 0.248 29.011 28.738 0.041 0.000 0.963 84 Q HN 0.128 nan 8.270 nan 0.000 0.472 85 K N 0.550 120.395 120.400 -0.925 0.000 1.977 85 K HA -0.206 4.114 4.320 0.001 0.000 0.218 85 K C 1.557 177.896 176.600 -0.435 0.000 1.051 85 K CA 1.816 57.396 56.287 -1.179 0.000 0.953 85 K CB -0.063 31.677 32.500 -1.265 0.000 0.727 85 K HN 0.196 nan 8.250 nan 0.000 0.445 86 N N 0.732 119.264 118.700 -0.280 0.000 2.205 86 N HA -0.174 4.567 4.740 0.001 0.000 0.186 86 N C 1.682 177.128 175.510 -0.107 0.000 1.015 86 N CA 1.314 54.290 53.050 -0.124 0.000 0.862 86 N CB -0.503 37.946 38.487 -0.063 0.000 0.986 86 N HN 0.371 nan 8.380 nan 0.000 0.429 87 A N 0.494 123.243 122.820 -0.119 0.000 1.940 87 A HA -0.140 4.181 4.320 0.001 0.000 0.219 87 A C 2.363 179.905 177.584 -0.070 0.000 1.176 87 A CA 1.988 53.978 52.037 -0.079 0.000 0.631 87 A CB -0.933 18.026 19.000 -0.068 0.000 0.814 87 A HN 0.318 nan 8.150 nan 0.000 0.446 88 T N 0.190 114.700 114.554 -0.074 0.000 2.812 88 T HA 0.010 4.361 4.350 0.001 0.000 0.264 88 T C 1.802 176.447 174.700 -0.091 0.000 1.042 88 T CA 1.303 63.402 62.100 -0.003 0.000 1.140 88 T CB -0.307 68.667 68.868 0.177 0.000 0.870 88 T HN 0.372 nan 8.240 nan 0.000 0.445 89 L N 0.898 122.008 121.223 -0.188 0.000 2.056 89 L HA -0.017 4.324 4.340 0.001 0.000 0.207 89 L C 3.074 179.645 176.870 -0.499 0.000 1.078 89 L CA 1.147 55.671 54.840 -0.527 0.000 0.749 89 L CB -0.696 40.864 42.059 -0.832 0.000 0.901 89 L HN 0.221 nan 8.230 nan 0.000 0.433 90 A N -0.735 121.948 122.820 -0.228 0.000 1.902 90 A HA -0.256 4.065 4.320 0.001 0.000 0.217 90 A C 2.545 180.091 177.584 -0.062 0.000 1.181 90 A CA 2.047 54.055 52.037 -0.048 0.000 0.623 90 A CB -0.801 18.201 19.000 0.003 0.000 0.818 90 A HN 0.364 nan 8.150 nan 0.000 0.443 91 S N -1.422 114.228 115.700 -0.083 0.000 2.402 91 S HA 0.050 4.520 4.470 0.001 0.000 0.233 91 S C 1.653 176.194 174.600 -0.098 0.000 1.030 91 S CA 2.044 60.202 58.200 -0.070 0.000 1.003 91 S CB -0.612 62.557 63.200 -0.052 0.000 0.813 91 S HN 1.963 nan 8.310 nan 0.000 0.477 92 G N 0.407 109.115 108.800 -0.154 0.000 2.184 92 G HA2 -0.187 3.774 3.960 0.001 0.000 0.264 92 G HA3 -0.187 3.774 3.960 0.001 0.000 0.264 92 G C -0.375 174.393 174.900 -0.220 0.000 0.975 92 G CA 0.412 45.394 45.100 -0.196 0.000 0.642 92 G HN 0.582 nan 8.290 nan 0.000 0.536 93 D N 0.980 121.286 120.400 -0.157 0.000 2.464 93 D HA 0.510 5.151 4.640 0.001 0.000 0.243 93 D C 0.863 177.119 176.300 -0.074 0.000 1.104 93 D CA -0.133 53.794 54.000 -0.122 0.000 0.883 93 D CB 0.905 41.662 40.800 -0.072 0.000 1.050 93 D HN 0.687 nan 8.370 nan 0.000 0.524 94 I N -1.702 118.802 120.570 -0.110 0.000 2.863 94 I HA 0.797 4.968 4.170 0.001 0.000 0.311 94 I C 0.264 176.386 176.117 0.008 0.000 1.026 94 I CA -1.168 60.117 61.300 -0.025 0.000 1.077 94 I CB 1.647 39.552 38.000 -0.158 0.000 1.262 94 I HN 0.102 nan 8.210 nan 0.000 0.461 95 A N 2.497 125.368 122.820 0.084 0.000 2.406 95 A HA 0.161 4.482 4.320 0.001 0.000 0.243 95 A C 0.720 178.328 177.584 0.039 0.000 1.082 95 A CA -0.110 51.956 52.037 0.048 0.000 0.786 95 A CB 0.006 19.036 19.000 0.050 0.000 1.029 95 A HN 0.903 nan 8.150 nan 0.000 0.495 96 D N -0.165 120.240 120.400 0.008 0.000 2.104 96 D HA -0.066 4.574 4.640 0.001 0.000 0.194 96 D C 0.484 176.813 176.300 0.049 0.000 0.994 96 D CA 1.669 55.676 54.000 0.012 0.000 0.830 96 D CB -0.251 40.538 40.800 -0.019 0.000 0.959 96 D HN 0.224 nan 8.370 nan 0.000 0.452 97 V N 1.313 121.250 119.914 0.038 0.000 2.555 97 V HA 0.336 4.457 4.120 0.001 0.000 0.302 97 V C -0.333 175.825 176.094 0.105 0.000 1.038 97 V CA -0.857 61.489 62.300 0.076 0.000 0.887 97 V CB 2.128 33.967 31.823 0.026 0.000 0.991 97 V HN 0.041 nan 8.190 nan 0.000 0.434 98 N N 4.802 123.607 118.700 0.174 0.000 2.410 98 N HA 0.520 5.261 4.740 0.001 0.000 0.287 98 N C -1.398 174.189 175.510 0.128 0.000 1.044 98 N CA -0.461 52.690 53.050 0.169 0.000 0.881 98 N CB 2.706 41.422 38.487 0.382 0.000 1.405 98 N HN 0.476 nan 8.380 nan 0.000 0.490 99 L N 2.388 123.640 121.223 0.048 0.000 2.276 99 L HA 0.356 4.697 4.340 0.001 0.000 0.286 99 L C 0.503 177.347 176.870 -0.042 0.000 1.024 99 L CA -0.664 54.208 54.840 0.053 0.000 0.826 99 L CB 0.434 42.554 42.059 0.102 0.000 1.211 99 L HN 0.478 nan 8.230 nan 0.000 0.422 100 N N 2.689 121.388 118.700 -0.001 0.000 2.721 100 N HA -0.177 4.563 4.740 0.001 0.000 0.249 100 N C 0.956 176.383 175.510 -0.138 0.000 1.072 100 N CA 0.924 53.958 53.050 -0.028 0.000 0.710 100 N CB -0.484 37.988 38.487 -0.026 0.000 0.993 100 N HN 1.018 nan 8.380 nan 0.000 0.547 101 G N -1.866 106.813 108.800 -0.201 0.000 2.486 101 G HA2 0.135 4.095 3.960 0.001 0.000 0.210 101 G HA3 0.135 4.095 3.960 0.001 0.000 0.210 101 G C 0.008 174.695 174.900 -0.355 0.000 1.168 101 G CA 0.539 45.344 45.100 -0.492 0.000 0.820 101 G HN 0.318 nan 8.290 nan 0.000 0.544 102 Y N -1.006 119.420 120.300 0.209 0.000 2.581 102 Y HA 0.647 5.198 4.550 0.001 0.000 0.345 102 Y C 0.547 176.451 175.900 0.006 0.000 1.036 102 Y CA -1.037 57.132 58.100 0.116 0.000 1.042 102 Y CB 1.596 40.043 38.460 -0.021 0.000 1.289 102 Y HN 0.206 nan 8.280 nan 0.000 0.471 103 G N -0.280 108.613 108.800 0.156 0.000 2.509 103 G HA2 0.514 4.475 3.960 0.001 0.000 0.328 103 G HA3 0.514 4.475 3.960 0.001 0.000 0.328 103 G C 0.426 175.321 174.900 -0.007 0.000 1.194 103 G CA -0.391 44.755 45.100 0.077 0.000 0.967 103 G HN 0.855 nan 8.290 nan 0.000 0.488 104 A N -0.122 122.720 122.820 0.037 0.000 1.972 104 A HA -0.011 4.310 4.320 0.001 0.000 0.219 104 A C 2.423 180.076 177.584 0.115 0.000 1.169 104 A CA 1.836 53.920 52.037 0.078 0.000 0.635 104 A CB -0.618 18.513 19.000 0.218 0.000 0.810 104 A HN 0.993 nan 8.150 nan 0.000 0.446 105 V N 0.019 120.008 119.914 0.125 0.000 2.568 105 V HA -0.258 3.863 4.120 0.001 0.000 0.253 105 V C 2.171 178.350 176.094 0.142 0.000 1.072 105 V CA 2.669 65.064 62.300 0.159 0.000 1.084 105 V CB -0.539 31.314 31.823 0.051 0.000 0.676 105 V HN 0.720 nan 8.190 nan 0.000 0.469 106 E N -0.036 120.215 120.200 0.085 0.000 2.204 106 E HA -0.074 4.276 4.350 0.001 0.000 0.194 106 E C 2.229 178.929 176.600 0.167 0.000 0.989 106 E CA 1.143 57.647 56.400 0.174 0.000 0.824 106 E CB -0.378 29.442 29.700 0.200 0.000 0.756 106 E HN 0.702 nan 8.360 nan 0.000 0.477 107 A N -0.132 122.601 122.820 -0.144 0.000 2.019 107 A HA -0.177 4.144 4.320 0.001 0.000 0.219 107 A C 1.448 178.768 177.584 -0.440 0.000 1.164 107 A CA 1.150 52.965 52.037 -0.369 0.000 0.644 107 A CB -0.461 17.737 19.000 -1.336 0.000 0.805 107 A HN 0.295 nan 8.150 nan 0.000 0.449 108 Y N -0.809 119.420 120.300 -0.118 0.000 2.397 108 Y HA -0.006 4.544 4.550 0.001 0.000 0.292 108 Y C 2.600 178.457 175.900 -0.071 0.000 1.115 108 Y CA 1.215 59.281 58.100 -0.056 0.000 1.208 108 Y CB -0.203 38.247 38.460 -0.016 0.000 1.046 108 Y HN 0.343 nan 8.280 nan 0.000 0.552 109 Q N -1.013 118.818 119.800 0.053 0.000 2.172 109 Q HA -0.107 4.234 4.340 0.001 0.000 0.200 109 Q C -0.459 175.259 176.000 -0.469 0.000 0.964 109 Q CA 1.096 56.783 55.803 -0.193 0.000 0.855 109 Q CB 0.093 28.713 28.738 -0.196 0.000 0.918 109 Q HN 0.466 nan 8.270 nan 0.000 0.444 110 Y N 0.133 120.437 120.300 0.006 0.000 2.863 110 Y HA 0.322 4.873 4.550 0.001 0.000 0.348 110 Y C -2.225 173.637 175.900 -0.063 0.000 1.028 110 Y CA -2.880 55.203 58.100 -0.029 0.000 1.213 110 Y CB 0.733 39.166 38.460 -0.045 0.000 1.120 110 Y HN -0.002 nan 8.280 nan 0.000 0.598 111 P HA 0.135 nan 4.420 nan 0.000 0.265 111 P C 0.675 177.976 177.300 0.002 0.000 1.187 111 P CA 1.025 64.118 63.100 -0.011 0.000 0.766 111 P CB 0.752 32.456 31.700 0.006 0.000 0.820 115 E N 1.512 121.911 120.200 0.332 0.000 2.360 115 E HA 0.150 4.500 4.350 0.001 0.000 0.269 115 E C -0.767 176.025 176.600 0.321 0.000 1.022 115 E CA -0.036 56.515 56.400 0.251 0.000 0.887 115 E CB 0.672 30.467 29.700 0.158 0.000 0.990 115 E HN 0.427 nan 8.360 nan 0.000 0.426 116 D N 4.596 125.110 120.400 0.189 0.000 2.402 116 D HA 0.025 4.665 4.640 0.001 0.000 0.235 116 D C 0.629 176.897 176.300 -0.053 0.000 1.226 116 D CA 0.063 54.010 54.000 -0.088 0.000 0.918 116 D CB 0.141 40.836 40.800 -0.175 0.000 1.043 116 D HN 0.569 nan 8.370 nan 0.000 0.506 117 L N 2.532 123.735 121.223 -0.034 0.000 2.353 117 L HA -0.154 4.186 4.340 0.001 0.000 0.220 117 L C 2.409 179.266 176.870 -0.023 0.000 1.133 117 L CA 0.883 55.719 54.840 -0.006 0.000 0.798 117 L CB -0.478 41.592 42.059 0.018 0.000 0.922 117 L HN 0.384 nan 8.230 nan 0.000 0.445 118 S N -0.468 115.203 115.700 -0.050 0.000 2.419 118 S HA -0.146 4.325 4.470 0.001 0.000 0.233 118 S C 1.818 176.406 174.600 -0.021 0.000 1.016 118 S CA 0.706 58.889 58.200 -0.027 0.000 0.974 118 S CB -0.169 63.000 63.200 -0.051 0.000 0.786 118 S HN 0.309 nan 8.310 nan 0.000 0.492 119 K N 1.304 121.688 120.400 -0.026 0.000 2.525 119 K HA 0.139 4.460 4.320 0.001 0.000 0.192 119 K C 0.063 176.658 176.600 -0.009 0.000 1.029 119 K CA 0.492 56.770 56.287 -0.014 0.000 1.029 119 K CB -0.129 32.364 32.500 -0.012 0.000 0.814 119 K HN 0.538 nan 8.250 nan 0.000 0.503 120 D N 0.100 120.493 120.400 -0.011 0.000 2.535 120 D HA 0.109 4.750 4.640 0.001 0.000 0.229 120 D C 1.403 177.689 176.300 -0.022 0.000 1.238 120 D CA -0.095 53.898 54.000 -0.011 0.000 0.824 120 D CB 0.386 41.182 40.800 -0.006 0.000 1.045 120 D HN 0.019 nan 8.370 nan 0.000 0.500 121 L N 0.438 121.646 121.223 -0.025 0.000 2.191 121 L HA -0.154 4.186 4.340 0.001 0.000 0.212 121 L C 1.564 178.410 176.870 -0.039 0.000 1.103 121 L CA 1.065 55.878 54.840 -0.045 0.000 0.769 121 L CB -0.084 41.956 42.059 -0.031 0.000 0.908 121 L HN -0.151 nan 8.230 nan 0.000 0.438 122 D N -0.150 120.239 120.400 -0.019 0.000 2.218 122 D HA -0.129 4.512 4.640 0.001 0.000 0.204 122 D C 1.926 178.223 176.300 -0.005 0.000 0.976 122 D CA 0.887 54.882 54.000 -0.009 0.000 0.853 122 D CB 0.037 40.837 40.800 -0.001 0.000 0.939 122 D HN 0.048 nan 8.370 nan 0.000 0.481 123 K N -0.109 120.285 120.400 -0.009 0.000 2.444 123 K HA 0.183 4.504 4.320 0.001 0.000 0.193 123 K C 0.406 177.000 176.600 -0.009 0.000 1.024 123 K CA 0.088 56.374 56.287 -0.002 0.000 1.077 123 K CB 0.596 33.096 32.500 0.000 0.000 0.833 123 K HN 0.234 nan 8.250 nan 0.000 0.517 124 L N 1.941 123.142 121.223 -0.036 0.000 2.960 124 L HA 0.185 4.525 4.340 0.001 0.000 0.274 124 L C -1.607 175.217 176.870 -0.077 0.000 1.327 124 L CA -1.045 53.754 54.840 -0.070 0.000 0.860 124 L CB 1.072 43.046 42.059 -0.142 0.000 1.239 124 L HN -0.169 nan 8.230 nan 0.000 0.551 125 P HA -0.171 nan 4.420 nan 0.000 0.216 125 P C 0.829 178.146 177.300 0.028 0.000 1.150 125 P CA 1.386 64.490 63.100 0.005 0.000 0.837 125 P CB 0.258 31.985 31.700 0.044 0.000 0.786 126 N N -0.267 118.482 118.700 0.082 0.000 2.244 126 N HA -0.073 4.668 4.740 0.001 0.000 0.183 126 N C 1.876 177.433 175.510 0.079 0.000 1.016 126 N CA 0.841 54.016 53.050 0.208 0.000 0.866 126 N CB -0.858 37.825 38.487 0.327 0.000 0.980 126 N HN 0.089 nan 8.380 nan 0.000 0.430 127 V N 1.716 121.518 119.914 -0.187 0.000 2.358 127 V HA -0.154 3.966 4.120 0.001 0.000 0.246 127 V C 2.236 177.893 176.094 -0.728 0.000 1.047 127 V CA 1.333 63.289 62.300 -0.574 0.000 1.035 127 V CB -0.350 31.022 31.823 -0.751 0.000 0.658 127 V HN 0.252 nan 8.190 nan 0.000 0.452 128 K N 0.440 120.576 120.400 -0.440 0.000 2.063 128 K HA -0.177 4.144 4.320 0.001 0.000 0.208 128 K C 2.313 178.810 176.600 -0.172 0.000 1.048 128 K CA 1.561 57.679 56.287 -0.281 0.000 0.928 128 K CB -0.435 31.997 32.500 -0.113 0.000 0.713 128 K HN 0.482 nan 8.250 nan 0.000 0.442 129 A N 1.252 124.013 122.820 -0.098 0.000 1.933 129 A HA -0.185 4.135 4.320 0.001 0.000 0.218 129 A C 1.958 179.387 177.584 -0.258 0.000 1.175 129 A CA 1.172 53.216 52.037 0.011 0.000 0.628 129 A CB -0.616 18.546 19.000 0.270 0.000 0.814 129 A HN 0.346 nan 8.150 nan 0.000 0.444 130 F N 0.231 119.616 119.950 -0.943 0.000 2.075 130 F HA -0.113 4.414 4.527 0.001 0.000 0.297 130 F C 1.839 177.301 175.800 -0.563 0.000 1.113 130 F CA 0.998 58.002 58.000 -1.659 0.000 1.218 130 F CB -0.797 37.211 39.000 -1.653 0.000 0.984 130 F HN 0.227 nan 8.300 nan 0.000 0.472 131 F N 1.141 120.752 119.950 -0.565 0.000 2.216 131 F HA -0.122 4.406 4.527 0.001 0.000 0.300 131 F C 2.522 178.141 175.800 -0.301 0.000 1.085 131 F CA 1.356 59.066 58.000 -0.485 0.000 1.326 131 F CB -1.473 37.329 39.000 -0.330 0.000 1.027 131 F HN 0.092 nan 8.300 nan 0.000 0.497 132 K N 0.280 120.668 120.400 -0.021 0.000 2.031 132 K HA -0.195 4.126 4.320 0.001 0.000 0.205 132 K C 2.143 178.747 176.600 0.008 0.000 1.049 132 K CA 1.271 57.559 56.287 0.001 0.000 0.939 132 K CB -0.194 32.321 32.500 0.026 0.000 0.717 132 K HN 0.254 nan 8.250 nan 0.000 0.438 133 Q N 0.037 119.850 119.800 0.021 0.000 2.245 133 Q HA -0.040 4.301 4.340 0.001 0.000 0.201 133 Q C -0.288 175.766 176.000 0.091 0.000 0.955 133 Q CA 0.913 56.784 55.803 0.114 0.000 0.870 133 Q CB 0.514 29.432 28.738 0.301 0.000 0.945 133 Q HN -0.024 nan 8.270 nan 0.000 0.461 134 K N 0.513 120.907 120.400 -0.010 0.000 2.624 134 K HA 0.237 4.558 4.320 0.001 0.000 0.200 134 K C -2.402 174.102 176.600 -0.160 0.000 1.036 134 K CA -1.687 54.584 56.287 -0.027 0.000 1.029 134 K CB 1.500 34.014 32.500 0.023 0.000 1.317 134 K HN 0.014 nan 8.250 nan 0.000 0.555 135 P HA -0.100 nan 4.420 nan 0.000 0.225 135 P C 0.391 177.547 177.300 -0.240 0.000 1.148 135 P CA 0.914 63.904 63.100 -0.183 0.000 0.779 135 P CB 0.419 32.049 31.700 -0.117 0.000 0.780 136 D N -0.493 119.829 120.400 -0.130 0.000 2.224 136 D HA -0.038 4.603 4.640 0.001 0.000 0.205 136 D C 2.018 178.233 176.300 -0.142 0.000 0.965 136 D CA 1.102 55.059 54.000 -0.072 0.000 0.852 136 D CB -0.582 40.308 40.800 0.149 0.000 0.947 136 D HN 0.082 nan 8.370 nan 0.000 0.494 137 A N 0.636 123.306 122.820 -0.251 0.000 1.929 137 A HA -0.156 4.165 4.320 0.001 0.000 0.216 137 A C 2.060 179.286 177.584 -0.596 0.000 1.176 137 A CA 1.466 53.284 52.037 -0.365 0.000 0.628 137 A CB -0.363 18.148 19.000 -0.815 0.000 0.816 137 A HN 0.143 nan 8.150 nan 0.000 0.444 138 K N 0.263 120.138 120.400 -0.875 0.000 2.063 138 K HA -0.126 4.195 4.320 0.001 0.000 0.208 138 K C 0.855 176.967 176.600 -0.813 0.000 1.048 138 K CA 1.234 56.689 56.287 -1.388 0.000 0.928 138 K CB -0.143 31.748 32.500 -1.016 0.000 0.713 138 K HN 0.445 nan 8.250 nan 0.000 0.442 142 T N 4.082 118.534 114.554 -0.171 0.000 2.792 142 T HA 0.546 4.897 4.350 0.001 0.000 0.280 142 T C -0.649 174.059 174.700 0.013 0.000 0.990 142 T CA -0.702 61.339 62.100 -0.099 0.000 0.960 142 T CB 1.576 70.343 68.868 -0.170 0.000 0.939 142 T HN 0.374 nan 8.240 nan 0.000 0.439 143 D N 1.142 121.610 120.400 0.114 0.000 2.478 143 D HA 0.202 4.842 4.640 0.001 0.000 0.269 143 D C 1.451 177.937 176.300 0.310 0.000 1.232 143 D CA -0.671 53.487 54.000 0.264 0.000 1.059 143 D CB 0.249 41.212 40.800 0.272 0.000 1.104 143 D HN 0.358 nan 8.370 nan 0.000 0.566 144 S N -1.310 114.595 115.700 0.343 0.000 2.515 144 S HA -0.097 4.374 4.470 0.001 0.000 0.231 144 S C 1.112 175.771 174.600 0.098 0.000 0.987 144 S CA 0.259 58.554 58.200 0.159 0.000 0.936 144 S CB -0.376 62.853 63.200 0.049 0.000 0.766 144 S HN 0.426 nan 8.310 nan 0.000 0.528 145 K N 0.844 121.321 120.400 0.129 0.000 2.404 145 K HA 0.248 4.569 4.320 0.001 0.000 0.194 145 K C 1.324 177.971 176.600 0.078 0.000 1.023 145 K CA 0.535 56.885 56.287 0.106 0.000 1.094 145 K CB -0.172 32.429 32.500 0.168 0.000 0.841 145 K HN 0.552 nan 8.250 nan 0.000 0.523 146 G N 2.507 111.349 108.800 0.069 0.000 2.155 146 G HA2 -0.325 3.636 3.960 0.001 0.000 0.257 146 G HA3 -0.325 3.636 3.960 0.001 0.000 0.257 146 G C -0.013 174.877 174.900 -0.016 0.000 0.983 146 G CA 0.226 45.339 45.100 0.022 0.000 0.676 146 G HN 0.323 nan 8.290 nan 0.000 0.528 147 R N -0.625 119.863 120.500 -0.020 0.000 2.528 147 R HA 0.682 5.022 4.340 0.001 0.000 0.271 147 R C 0.146 176.316 176.300 -0.216 0.000 1.056 147 R CA -0.425 55.560 56.100 -0.191 0.000 1.117 147 R CB 0.936 31.019 30.300 -0.362 0.000 1.085 147 R HN 0.248 nan 8.270 nan 0.000 0.530 148 I N 2.522 122.906 120.570 -0.310 0.000 2.437 148 I HA 0.143 4.314 4.170 0.001 0.000 0.279 148 I C -0.459 175.549 176.117 -0.181 0.000 1.028 148 I CA -0.265 60.946 61.300 -0.148 0.000 1.142 148 I CB 0.991 38.984 38.000 -0.012 0.000 1.266 148 I HN 0.639 nan 8.210 nan 0.000 0.461 149 Y N 4.235 124.560 120.300 0.042 0.000 2.507 149 Y HA 0.470 5.021 4.550 0.001 0.000 0.263 149 Y C 1.113 177.005 175.900 -0.013 0.000 1.093 149 Y CA -0.417 57.682 58.100 -0.001 0.000 1.285 149 Y CB 0.707 39.126 38.460 -0.068 0.000 1.115 149 Y HN 0.533 nan 8.280 nan 0.000 0.533 150 A N 0.518 123.439 122.820 0.168 0.000 2.476 150 A HA 0.556 4.876 4.320 0.001 0.000 0.280 150 A C -0.890 176.794 177.584 0.166 0.000 1.081 150 A CA -0.500 51.620 52.037 0.139 0.000 0.753 150 A CB 0.171 19.232 19.000 0.102 0.000 1.248 150 A HN 0.126 nan 8.150 nan 0.000 0.424 151 I N 2.425 123.114 120.570 0.199 0.000 2.428 151 I HA 0.437 4.608 4.170 0.001 0.000 0.289 151 I C 1.108 177.437 176.117 0.353 0.000 1.019 151 I CA -0.330 61.129 61.300 0.265 0.000 1.351 151 I CB 1.621 39.719 38.000 0.164 0.000 1.412 151 I HN 0.750 nan 8.210 nan 0.000 0.513 152 A N 5.060 128.123 122.820 0.405 0.000 2.310 152 A HA 0.378 4.699 4.320 0.001 0.000 0.260 152 A C -0.468 177.497 177.584 0.636 0.000 1.112 152 A CA -0.238 52.061 52.037 0.436 0.000 0.804 152 A CB 0.228 19.440 19.000 0.354 0.000 1.081 152 A HN 0.859 nan 8.150 nan 0.000 0.499 153 D N -2.093 118.576 120.400 0.449 0.000 2.531 153 D HA 0.648 5.288 4.640 0.001 0.000 0.244 153 D C -0.344 176.099 176.300 0.238 0.000 1.090 153 D CA -0.152 53.996 54.000 0.247 0.000 0.989 153 D CB 1.541 42.369 40.800 0.047 0.000 1.433 153 D HN 0.730 nan 8.370 nan 0.000 0.492 154 G N -0.913 107.897 108.800 0.015 0.000 2.682 154 G HA2 0.439 4.399 3.960 0.001 0.000 0.300 154 G HA3 0.439 4.399 3.960 0.001 0.000 0.300 154 G C -0.265 174.559 174.900 -0.127 0.000 1.391 154 G CA -0.931 44.223 45.100 0.089 0.000 0.990 154 G HN 0.355 nan 8.290 nan 0.000 0.501 155 R N 0.221 120.621 120.500 -0.166 0.000 2.334 155 R HA 0.361 4.702 4.340 0.001 0.000 0.216 155 R C 0.963 177.093 176.300 -0.283 0.000 0.905 155 R CA 0.675 56.472 56.100 -0.505 0.000 1.064 155 R CB 0.530 30.487 30.300 -0.571 0.000 1.046 155 R HN 1.143 nan 8.270 nan 0.000 0.508 156 G N 1.662 110.453 108.800 -0.015 0.000 2.650 156 G HA2 -0.229 3.732 3.960 0.001 0.000 0.686 156 G HA3 -0.229 3.732 3.960 0.001 0.000 0.686 156 G C 0.226 175.256 174.900 0.217 0.000 1.205 156 G CA -0.243 44.917 45.100 0.100 0.000 0.781 156 G HN 0.229 nan 8.290 nan 0.000 0.648 157 K N 0.137 120.642 120.400 0.175 0.000 2.281 157 K HA 0.132 4.453 4.320 0.001 0.000 0.203 157 K C 2.398 179.080 176.600 0.137 0.000 1.046 157 K CA 2.106 58.490 56.287 0.162 0.000 0.938 157 K CB -0.072 32.505 32.500 0.128 0.000 0.737 157 K HN 1.331 nan 8.250 nan 0.000 0.458 158 A N 0.803 123.697 122.820 0.123 0.000 2.070 158 A HA -0.112 4.209 4.320 0.001 0.000 0.220 158 A C 0.937 178.470 177.584 -0.084 0.000 1.159 158 A CA 0.852 52.888 52.037 -0.001 0.000 0.656 158 A CB -0.603 18.367 19.000 -0.050 0.000 0.800 158 A HN 0.505 nan 8.150 nan 0.000 0.453 159 Y N 0.012 120.402 120.300 0.150 0.000 2.524 159 Y HA 0.080 4.630 4.550 0.001 0.000 0.266 159 Y C 2.340 178.336 175.900 0.159 0.000 1.180 159 Y CA 0.299 58.513 58.100 0.189 0.000 1.244 159 Y CB 0.090 38.693 38.460 0.239 0.000 1.125 159 Y HN 0.430 nan 8.280 nan 0.000 0.524 160 S N -1.194 114.639 115.700 0.221 0.000 2.423 160 S HA -0.003 4.468 4.470 0.001 0.000 0.231 160 S C 1.436 176.117 174.600 0.136 0.000 1.014 160 S CA 0.499 58.805 58.200 0.177 0.000 0.965 160 S CB -0.541 62.741 63.200 0.138 0.000 0.785 160 S HN 0.303 nan 8.310 nan 0.000 0.495 161 G N 0.620 109.490 108.800 0.117 0.000 2.563 161 G HA2 0.414 4.375 3.960 0.001 0.000 0.283 161 G HA3 0.414 4.375 3.960 0.001 0.000 0.283 161 G C -0.289 174.663 174.900 0.086 0.000 1.309 161 G CA -0.149 45.008 45.100 0.096 0.000 1.022 161 G HN 0.299 nan 8.290 nan 0.000 0.501 162 T N -1.735 112.848 114.554 0.047 0.000 2.898 162 T HA 0.398 4.749 4.350 0.001 0.000 0.301 162 T C 1.591 176.221 174.700 -0.117 0.000 1.049 162 T CA 0.536 62.593 62.100 -0.071 0.000 1.095 162 T CB 0.855 69.613 68.868 -0.184 0.000 0.976 162 T HN 0.586 nan 8.240 nan 0.000 0.539 163 G N 2.400 111.096 108.800 -0.173 0.000 2.880 163 G HA2 0.101 4.061 3.960 0.001 0.000 0.209 163 G HA3 0.101 4.061 3.960 0.001 0.000 0.209 163 G C 0.305 175.112 174.900 -0.154 0.000 1.157 163 G CA -0.076 45.014 45.100 -0.016 0.000 0.779 163 G HN 0.636 nan 8.290 nan 0.000 0.539 164 Q N 1.037 120.543 119.800 -0.491 0.000 2.278 164 Q HA 0.506 4.846 4.340 0.001 0.000 0.257 164 Q C -0.946 174.803 176.000 -0.418 0.000 0.928 164 Q CA -0.113 55.556 55.803 -0.223 0.000 0.932 164 Q CB 1.472 30.045 28.738 -0.275 0.000 1.221 164 Q HN 0.600 nan 8.270 nan 0.000 0.434 168 I N 1.462 122.096 120.570 0.107 0.000 2.769 168 I HA 0.423 4.594 4.170 0.001 0.000 0.298 168 I C -0.829 175.189 176.117 -0.166 0.000 1.128 168 I CA -0.458 60.871 61.300 0.048 0.000 1.031 168 I CB 2.392 40.436 38.000 0.072 0.000 1.235 168 I HN 0.673 nan 8.210 nan 0.000 0.423 169 N N 5.576 123.974 118.700 -0.503 0.000 2.421 169 N HA 0.001 4.741 4.740 0.001 0.000 0.260 169 N C 0.573 175.751 175.510 -0.554 0.000 1.173 169 N CA 0.251 52.596 53.050 -1.174 0.000 0.960 169 N CB 0.903 38.207 38.487 -1.972 0.000 1.273 169 N HN 0.550 nan 8.380 nan 0.000 0.497 170 K N 3.901 124.048 120.400 -0.421 0.000 2.148 170 K HA 0.020 4.341 4.320 0.001 0.000 0.204 170 K C 1.585 178.097 176.600 -0.147 0.000 1.050 170 K CA 1.465 57.638 56.287 -0.191 0.000 0.942 170 K CB -0.282 32.121 32.500 -0.161 0.000 0.724 170 K HN 0.502 nan 8.250 nan 0.000 0.446 171 A N -0.181 122.493 122.820 -0.243 0.000 1.933 171 A HA -0.133 4.188 4.320 0.001 0.000 0.218 171 A C 1.796 179.415 177.584 0.058 0.000 1.175 171 A CA 1.455 53.428 52.037 -0.107 0.000 0.628 171 A CB -0.947 17.969 19.000 -0.140 0.000 0.814 171 A HN 0.491 nan 8.150 nan 0.000 0.444 172 W N 0.026 121.173 121.300 -0.256 0.000 2.381 172 W HA -0.016 4.644 4.660 0.001 0.000 0.301 172 W C 2.093 178.628 176.519 0.027 0.000 1.205 172 W CA 0.687 57.910 57.345 -0.203 0.000 1.285 172 W CB -1.251 27.877 29.460 -0.553 0.000 1.133 172 W HN 0.260 nan 8.180 nan 0.000 0.521 173 L N -0.137 121.277 121.223 0.318 0.000 1.989 173 L HA -0.251 4.090 4.340 0.001 0.000 0.211 173 L C 2.234 179.181 176.870 0.128 0.000 1.071 173 L CA 1.619 56.612 54.840 0.255 0.000 0.749 173 L CB -0.996 41.166 42.059 0.172 0.000 0.890 173 L HN -0.136 nan 8.230 nan 0.000 0.431 174 D N 0.126 120.571 120.400 0.075 0.000 2.092 174 D HA -0.231 4.410 4.640 0.001 0.000 0.193 174 D C 2.093 178.417 176.300 0.040 0.000 0.994 174 D CA 1.318 55.340 54.000 0.037 0.000 0.828 174 D CB -0.166 40.640 40.800 0.010 0.000 0.963 174 D HN 0.170 nan 8.370 nan 0.000 0.450 175 K N 0.189 120.619 120.400 0.050 0.000 2.113 175 K HA -0.111 4.209 4.320 0.001 0.000 0.208 175 K C 1.824 178.439 176.600 0.025 0.000 1.047 175 K CA 0.955 57.260 56.287 0.030 0.000 0.928 175 K CB -0.080 32.434 32.500 0.024 0.000 0.716 175 K HN 0.149 nan 8.250 nan 0.000 0.446 176 L N -0.566 120.691 121.223 0.056 0.000 2.592 176 L HA 0.182 4.523 4.340 0.001 0.000 0.227 176 L C 0.832 177.720 176.870 0.031 0.000 1.127 176 L CA 0.270 55.136 54.840 0.044 0.000 0.884 176 L CB 0.246 42.357 42.059 0.086 0.000 1.065 176 L HN 0.490 nan 8.230 nan 0.000 0.457 177 G N 1.407 110.225 108.800 0.031 0.000 2.272 177 G HA2 -0.259 3.702 3.960 0.001 0.000 0.280 177 G HA3 -0.259 3.702 3.960 0.001 0.000 0.280 177 G C -0.208 174.701 174.900 0.015 0.000 1.067 177 G CA 0.096 45.206 45.100 0.017 0.000 0.902 177 G HN 0.251 nan 8.290 nan 0.000 0.500 178 L N -1.004 120.236 121.223 0.028 0.000 2.301 178 L HA 0.690 5.030 4.340 0.001 0.000 0.264 178 L C 0.068 176.947 176.870 0.015 0.000 1.016 178 L CA -1.424 53.424 54.840 0.014 0.000 0.821 178 L CB 1.628 43.693 42.059 0.010 0.000 1.346 178 L HN 0.020 nan 8.230 nan 0.000 0.429 179 Q N 0.637 120.436 119.800 -0.001 0.000 2.215 179 Q HA 0.414 4.754 4.340 0.001 0.000 0.256 179 Q C -0.589 175.409 176.000 -0.004 0.000 0.972 179 Q CA -0.939 54.862 55.803 -0.003 0.000 0.889 179 Q CB 2.019 30.750 28.738 -0.011 0.000 1.281 179 Q HN 0.289 nan 8.270 nan 0.000 0.456 180 V N 4.455 124.367 119.914 -0.003 0.000 2.509 180 V HA 0.030 4.150 4.120 0.001 0.000 0.297 180 V C -1.829 174.261 176.094 -0.007 0.000 1.014 180 V CA -0.489 61.808 62.300 -0.004 0.000 1.127 180 V CB -0.089 31.723 31.823 -0.019 0.000 0.925 180 V HN 0.626 nan 8.190 nan 0.000 0.480 181 P HA 0.226 nan 4.420 nan 0.000 0.278 181 P C 0.324 177.636 177.300 0.019 0.000 1.238 181 P CA -0.185 62.918 63.100 0.005 0.000 0.794 181 P CB 1.123 32.829 31.700 0.010 0.000 0.955 182 T N -2.984 111.580 114.554 0.016 0.000 3.043 182 T HA 0.210 4.561 4.350 0.001 0.000 0.272 182 T C 0.474 175.181 174.700 0.011 0.000 0.990 182 T CA 0.004 62.112 62.100 0.014 0.000 0.897 182 T CB -0.488 68.378 68.868 -0.004 0.000 1.111 182 T HN 0.584 nan 8.240 nan 0.000 0.529 183 T N -3.072 111.499 114.554 0.027 0.000 2.883 183 T HA 0.488 4.839 4.350 0.001 0.000 0.296 183 T C -0.083 174.692 174.700 0.126 0.000 1.117 183 T CA -0.791 61.316 62.100 0.011 0.000 1.006 183 T CB 1.147 70.003 68.868 -0.020 0.000 1.191 183 T HN -0.027 nan 8.240 nan 0.000 0.508 184 W N 0.906 122.092 121.300 -0.190 0.000 2.342 184 W HA 0.031 4.692 4.660 0.001 0.000 0.297 184 W C 1.645 178.122 176.519 -0.069 0.000 1.213 184 W CA 1.164 58.317 57.345 -0.320 0.000 1.251 184 W CB -0.956 28.053 29.460 -0.752 0.000 1.136 184 W HN 0.779 nan 8.180 nan 0.000 0.526 185 D N -0.403 120.102 120.400 0.174 0.000 2.117 185 D HA -0.154 4.487 4.640 0.001 0.000 0.197 185 D C 1.899 178.248 176.300 0.082 0.000 0.987 185 D CA 1.514 55.590 54.000 0.127 0.000 0.829 185 D CB -0.473 40.369 40.800 0.070 0.000 0.961 185 D HN 0.292 nan 8.370 nan 0.000 0.460 186 E N 0.021 120.256 120.200 0.058 0.000 2.077 186 E HA -0.153 4.197 4.350 0.001 0.000 0.193 186 E C 2.075 178.684 176.600 0.015 0.000 0.989 186 E CA 0.286 56.699 56.400 0.022 0.000 0.800 186 E CB -0.092 29.614 29.700 0.011 0.000 0.746 186 E HN 0.093 nan 8.360 nan 0.000 0.452 187 L N 1.816 123.078 121.223 0.064 0.000 2.012 187 L HA -0.246 4.095 4.340 0.001 0.000 0.210 187 L C 2.284 179.165 176.870 0.018 0.000 1.073 187 L CA 2.030 56.903 54.840 0.054 0.000 0.748 187 L CB -0.481 41.662 42.059 0.140 0.000 0.891 187 L HN 0.106 nan 8.230 nan 0.000 0.431 188 E N -0.685 119.567 120.200 0.086 0.000 2.058 188 E HA -0.331 4.020 4.350 0.001 0.000 0.194 188 E C 2.056 178.626 176.600 -0.049 0.000 0.997 188 E CA 1.576 57.983 56.400 0.011 0.000 0.801 188 E CB -0.251 29.487 29.700 0.063 0.000 0.746 188 E HN 0.668 nan 8.360 nan 0.000 0.450 189 N N -0.156 118.521 118.700 -0.039 0.000 2.036 189 N HA -0.187 4.554 4.740 0.001 0.000 0.195 189 N C 1.815 177.238 175.510 -0.145 0.000 1.037 189 N CA 2.036 55.044 53.050 -0.070 0.000 0.855 189 N CB -0.225 38.233 38.487 -0.048 0.000 1.033 189 N HN 0.046 nan 8.380 nan 0.000 0.423 190 V N 0.719 120.510 119.914 -0.204 0.000 2.332 190 V HA -0.217 3.903 4.120 0.001 0.000 0.248 190 V C 2.256 177.966 176.094 -0.640 0.000 1.055 190 V CA 1.545 63.587 62.300 -0.429 0.000 1.038 190 V CB -0.583 30.988 31.823 -0.420 0.000 0.651 190 V HN 0.366 nan 8.190 nan 0.000 0.450 191 L N -0.706 120.292 121.223 -0.374 0.000 2.093 191 L HA -0.172 4.169 4.340 0.001 0.000 0.208 191 L C 2.518 179.327 176.870 -0.100 0.000 1.085 191 L CA 1.554 56.264 54.840 -0.217 0.000 0.755 191 L CB -0.643 41.376 42.059 -0.067 0.000 0.904 191 L HN 0.276 nan 8.230 nan 0.000 0.435 192 K N 0.278 120.614 120.400 -0.107 0.000 2.097 192 K HA -0.109 4.212 4.320 0.001 0.000 0.205 192 K C 2.305 178.876 176.600 -0.048 0.000 1.050 192 K CA 1.267 57.518 56.287 -0.059 0.000 0.938 192 K CB -0.268 32.197 32.500 -0.058 0.000 0.718 192 K HN 0.275 nan 8.250 nan 0.000 0.442 193 A N 1.277 124.041 122.820 -0.093 0.000 1.877 193 A HA -0.157 4.164 4.320 0.001 0.000 0.216 193 A C 1.877 179.503 177.584 0.070 0.000 1.186 193 A CA 1.305 53.312 52.037 -0.050 0.000 0.620 193 A CB -0.676 18.272 19.000 -0.087 0.000 0.822 193 A HN 0.153 nan 8.150 nan 0.000 0.443 194 F N 0.394 120.320 119.950 -0.039 0.000 2.161 194 F HA -0.156 4.372 4.527 0.001 0.000 0.300 194 F C 2.186 177.905 175.800 -0.135 0.000 1.089 194 F CA 1.616 59.561 58.000 -0.092 0.000 1.282 194 F CB -0.954 38.108 39.000 0.103 0.000 1.010 194 F HN 0.255 nan 8.300 nan 0.000 0.485 195 K N 0.543 121.022 120.400 0.131 0.000 2.026 195 K HA -0.147 4.174 4.320 0.001 0.000 0.208 195 K C 1.911 178.508 176.600 -0.004 0.000 1.048 195 K CA 2.198 58.517 56.287 0.053 0.000 0.929 195 K CB -0.535 31.988 32.500 0.039 0.000 0.713 195 K HN 0.341 nan 8.250 nan 0.000 0.439 196 T N -3.067 111.479 114.554 -0.013 0.000 2.990 196 T HA 0.129 4.480 4.350 0.001 0.000 0.250 196 T C 1.292 175.963 174.700 -0.048 0.000 1.041 196 T CA -0.116 61.967 62.100 -0.029 0.000 1.010 196 T CB 0.111 68.965 68.868 -0.023 0.000 1.003 196 T HN 0.196 nan 8.240 nan 0.000 0.499 197 Q N 1.160 120.925 119.800 -0.059 0.000 2.204 197 Q HA 0.210 4.550 4.340 0.001 0.000 0.209 197 Q C -0.405 175.517 176.000 -0.130 0.000 0.861 197 Q CA -0.151 55.608 55.803 -0.074 0.000 0.971 197 Q CB 0.152 28.861 28.738 -0.048 0.000 1.095 197 Q HN 0.434 nan 8.270 nan 0.000 0.486 198 D N 1.092 121.390 120.400 -0.169 0.000 2.740 198 D HA -0.150 4.491 4.640 0.001 0.000 0.231 198 D C -1.710 174.388 176.300 -0.336 0.000 1.194 198 D CA 0.350 54.214 54.000 -0.226 0.000 0.673 198 D CB 0.168 40.884 40.800 -0.139 0.000 0.995 198 D HN 0.250 nan 8.370 nan 0.000 0.411 199 P HA -0.142 nan 4.420 nan 0.000 0.226 199 P C 0.906 177.790 177.300 -0.694 0.000 1.153 199 P CA 0.993 63.666 63.100 -0.711 0.000 0.777 199 P CB -0.047 30.974 31.700 -1.131 0.000 0.794 200 N N -0.297 118.029 118.700 -0.624 0.000 2.461 200 N HA 0.037 4.778 4.740 0.001 0.000 0.188 200 N C 1.394 176.849 175.510 -0.091 0.000 1.134 200 N CA 0.696 53.650 53.050 -0.160 0.000 0.878 200 N CB -1.356 37.164 38.487 0.056 0.000 0.972 200 N HN 0.138 nan 8.380 nan 0.000 0.456 201 G N 1.189 109.905 108.800 -0.139 0.000 2.186 201 G HA2 -0.422 3.539 3.960 0.001 0.000 0.266 201 G HA3 -0.422 3.539 3.960 0.001 0.000 0.266 201 G C 0.708 175.576 174.900 -0.054 0.000 0.982 201 G CA 0.706 45.757 45.100 -0.082 0.000 0.670 201 G HN 0.731 nan 8.290 nan 0.000 0.533 202 N N 0.037 118.707 118.700 -0.051 0.000 2.336 202 N HA 0.366 5.107 4.740 0.001 0.000 0.189 202 N C 1.792 177.285 175.510 -0.029 0.000 1.113 202 N CA 1.099 54.132 53.050 -0.027 0.000 0.858 202 N CB -0.204 38.278 38.487 -0.010 0.000 0.970 202 N HN 1.560 nan 8.380 nan 0.000 0.471 203 G N -0.861 107.913 108.800 -0.043 0.000 2.253 203 G HA2 -0.281 3.680 3.960 0.001 0.000 0.251 203 G HA3 -0.281 3.680 3.960 0.001 0.000 0.251 203 G C -0.217 174.662 174.900 -0.035 0.000 0.998 203 G CA 0.155 45.233 45.100 -0.038 0.000 0.621 203 G HN 0.415 nan 8.290 nan 0.000 0.524 204 Q N 0.241 120.021 119.800 -0.032 0.000 2.259 204 Q HA 0.630 4.971 4.340 0.001 0.000 0.249 204 Q C 0.576 176.554 176.000 -0.035 0.000 0.914 204 Q CA 0.298 56.087 55.803 -0.024 0.000 0.904 204 Q CB 1.437 30.170 28.738 -0.009 0.000 1.213 204 Q HN 0.781 nan 8.270 nan 0.000 0.428 205 A N 2.855 125.660 122.820 -0.024 0.000 3.077 205 A HA 0.046 4.367 4.320 0.001 0.000 0.255 205 A C 0.452 178.033 177.584 -0.005 0.000 1.728 205 A CA -0.251 51.772 52.037 -0.024 0.000 1.383 205 A CB -0.618 18.374 19.000 -0.014 0.000 1.097 205 A HN 0.608 nan 8.150 nan 0.000 0.634 206 D N -0.703 119.693 120.400 -0.006 0.000 2.389 206 D HA 0.025 4.665 4.640 0.001 0.000 0.206 206 D C -0.108 176.224 176.300 0.054 0.000 1.055 206 D CA 0.029 54.045 54.000 0.026 0.000 0.856 206 D CB -0.168 40.651 40.800 0.032 0.000 0.957 206 D HN 0.359 nan 8.370 nan 0.000 0.509 207 E N 0.669 120.880 120.200 0.019 0.000 2.417 207 E HA 0.178 4.528 4.350 0.001 0.000 0.261 207 E C -0.098 176.590 176.600 0.147 0.000 1.000 207 E CA 0.266 56.712 56.400 0.077 0.000 0.919 207 E CB 0.890 30.505 29.700 -0.142 0.000 0.955 207 E HN 0.301 nan 8.360 nan 0.000 0.455 208 I N 6.620 127.325 120.570 0.225 0.000 2.291 208 I HA 0.189 4.360 4.170 0.001 0.000 0.292 208 I C -1.982 174.302 176.117 0.280 0.000 1.064 208 I CA -2.172 59.251 61.300 0.205 0.000 1.269 208 I CB 0.782 38.889 38.000 0.178 0.000 1.418 208 I HN 0.309 nan 8.210 nan 0.000 0.485 212 I N -1.557 119.215 120.570 0.336 0.000 2.828 212 I HA 0.618 4.788 4.170 0.001 0.000 0.302 212 I C -0.244 175.939 176.117 0.110 0.000 1.101 212 I CA -0.911 60.522 61.300 0.222 0.000 1.031 212 I CB 2.235 40.171 38.000 -0.106 0.000 1.231 212 I HN 0.139 nan 8.210 nan 0.000 0.427 213 K N 3.466 123.766 120.400 -0.166 0.000 2.295 213 K HA 0.214 4.534 4.320 0.001 0.000 0.270 213 K C -0.239 176.418 176.600 0.095 0.000 1.011 213 K CA -0.602 55.471 56.287 -0.357 0.000 0.953 213 K CB 0.921 33.221 32.500 -0.333 0.000 0.956 213 K HN 0.664 nan 8.250 nan 0.000 0.477 214 K N 2.415 122.842 120.400 0.046 0.000 2.336 214 K HA 0.086 4.407 4.320 0.001 0.000 0.262 214 K C -0.394 176.223 176.600 0.028 0.000 0.992 214 K CA -0.302 56.009 56.287 0.040 0.000 0.927 214 K CB 0.372 32.790 32.500 -0.137 0.000 0.956 214 K HN 0.362 nan 8.250 nan 0.000 0.495 215 L N 2.106 123.345 121.223 0.025 0.000 2.397 215 L HA 0.157 4.498 4.340 0.001 0.000 0.271 215 L C 0.674 177.441 176.870 -0.172 0.000 1.148 215 L CA -0.446 54.376 54.840 -0.031 0.000 0.825 215 L CB 0.746 42.833 42.059 0.047 0.000 1.117 215 L HN 0.699 nan 8.230 nan 0.000 0.456 216 E N 1.415 121.425 120.200 -0.318 0.000 2.277 216 E HA 0.131 4.482 4.350 0.001 0.000 0.274 216 E C 0.805 177.176 176.600 -0.383 0.000 1.022 216 E CA 0.032 56.179 56.400 -0.420 0.000 0.853 216 E CB 1.837 31.049 29.700 -0.814 0.000 1.086 216 E HN 0.761 nan 8.360 nan 0.000 0.397 217 G N 1.349 110.003 108.800 -0.244 0.000 2.418 217 G HA2 -0.248 3.713 3.960 0.001 0.000 0.217 217 G HA3 -0.248 3.713 3.960 0.001 0.000 0.217 217 G C 1.212 176.034 174.900 -0.131 0.000 1.158 217 G CA 1.218 46.242 45.100 -0.127 0.000 0.771 217 G HN 0.486 nan 8.290 nan 0.000 0.545 218 S N -1.424 114.151 115.700 -0.209 0.000 2.539 218 S HA 0.468 4.939 4.470 0.001 0.000 0.221 218 S C 0.096 174.383 174.600 -0.522 0.000 0.987 218 S CA -0.254 57.806 58.200 -0.233 0.000 0.929 218 S CB -0.001 63.232 63.200 0.055 0.000 0.832 218 S HN 0.807 nan 8.310 nan 0.000 0.492 219 Y N -2.218 117.654 120.300 -0.714 0.000 2.620 219 Y HA 0.705 5.256 4.550 0.001 0.000 0.331 219 Y C -1.594 173.922 175.900 -0.640 0.000 1.173 219 Y CA -2.623 55.044 58.100 -0.722 0.000 1.076 219 Y CB -0.102 38.088 38.460 -0.450 0.000 1.336 219 Y HN -0.108 nan 8.280 nan 0.000 0.459 220 F N 2.212 122.004 119.950 -0.264 0.000 2.456 220 F HA 0.488 5.016 4.527 0.001 0.000 0.358 220 F C 1.156 176.726 175.800 -0.383 0.000 1.095 220 F CA 0.106 57.846 58.000 -0.434 0.000 1.216 220 F CB 1.159 39.755 39.000 -0.673 0.000 1.125 220 F HN 0.689 nan 8.300 nan 0.000 0.549 221 T N -0.860 113.577 114.554 -0.196 0.000 2.862 221 T HA 0.285 4.635 4.350 0.001 0.000 0.276 221 T C -0.373 174.339 174.700 0.020 0.000 0.974 221 T CA -0.867 61.246 62.100 0.021 0.000 0.966 221 T CB 0.573 69.436 68.868 -0.009 0.000 1.072 221 T HN 0.358 nan 8.240 nan 0.000 0.538 222 W N 1.457 122.677 121.300 -0.133 0.000 2.314 222 W HA 0.278 4.939 4.660 0.001 0.000 0.339 222 W C 0.150 176.519 176.519 -0.249 0.000 1.293 222 W CA 0.370 57.505 57.345 -0.350 0.000 1.288 222 W CB -0.989 28.086 29.460 -0.642 0.000 1.186 222 W HN 0.831 nan 8.180 nan 0.000 0.566 223 Y N -0.033 120.445 120.300 0.297 0.000 4.490 223 Y HA -0.297 4.253 4.550 0.001 0.000 0.233 223 Y C 1.172 177.169 175.900 0.161 0.000 1.101 223 Y CA 0.233 58.514 58.100 0.302 0.000 2.010 223 Y CB -2.197 36.525 38.460 0.436 0.000 1.622 223 Y HN 0.307 nan 8.280 nan 0.000 0.675 224 S N 2.634 118.379 115.700 0.075 0.000 2.558 224 S HA 0.249 4.720 4.470 0.001 0.000 0.288 224 S C -1.172 173.400 174.600 -0.047 0.000 1.318 224 S CA -0.877 57.299 58.200 -0.041 0.000 1.056 224 S CB 0.720 63.727 63.200 -0.323 0.000 0.853 224 S HN 0.212 nan 8.310 nan 0.000 0.505 228 L N 0.599 121.826 121.223 0.006 0.000 2.456 228 L HA -0.100 4.241 4.340 0.001 0.000 0.224 228 L C 2.136 179.091 176.870 0.141 0.000 1.148 228 L CA 0.954 55.919 54.840 0.208 0.000 0.825 228 L CB -0.138 42.026 42.059 0.175 0.000 0.937 228 L HN 0.373 nan 8.230 nan 0.000 0.450 229 L N -0.385 120.794 121.223 -0.072 0.000 2.127 229 L HA -0.244 4.097 4.340 0.001 0.000 0.211 229 L C 2.237 178.987 176.870 -0.200 0.000 1.089 229 L CA 0.964 55.684 54.840 -0.199 0.000 0.757 229 L CB -0.543 41.212 42.059 -0.507 0.000 0.899 229 L HN 0.411 nan 8.230 nan 0.000 0.434 230 N N -0.532 118.056 118.700 -0.187 0.000 2.223 230 N HA -0.147 4.594 4.740 0.001 0.000 0.185 230 N C 1.921 177.446 175.510 0.024 0.000 1.016 230 N CA 1.482 54.463 53.050 -0.115 0.000 0.863 230 N CB -0.149 38.280 38.487 -0.097 0.000 0.983 230 N HN 0.272 nan 8.380 nan 0.000 0.429 231 S N 0.011 115.770 115.700 0.098 0.000 2.419 231 S HA -0.115 4.356 4.470 0.001 0.000 0.235 231 S C 2.017 176.492 174.600 -0.208 0.000 1.019 231 S CA 1.680 59.883 58.200 0.004 0.000 0.982 231 S CB -0.335 62.945 63.200 0.133 0.000 0.789 231 S HN 0.647 nan 8.310 nan 0.000 0.490 232 T N -2.221 112.226 114.554 -0.178 0.000 3.107 232 T HA 0.462 4.812 4.350 0.001 0.000 0.249 232 T C 1.359 175.959 174.700 -0.167 0.000 1.096 232 T CA 0.743 62.703 62.100 -0.234 0.000 1.012 232 T CB 0.364 69.125 68.868 -0.178 0.000 0.977 232 T HN 0.537 nan 8.240 nan 0.000 0.527 233 G N 1.201 109.923 108.800 -0.129 0.000 2.176 233 G HA2 -0.166 3.795 3.960 0.001 0.000 0.232 233 G HA3 -0.166 3.795 3.960 0.001 0.000 0.232 233 G C -0.071 174.751 174.900 -0.130 0.000 0.986 233 G CA -0.147 44.901 45.100 -0.088 0.000 0.643 233 G HN 0.623 nan 8.290 nan 0.000 0.522 234 I N 1.738 122.162 120.570 -0.243 0.000 2.315 234 I HA 0.369 4.540 4.170 0.001 0.000 0.291 234 I C 0.661 176.539 176.117 -0.399 0.000 1.006 234 I CA -0.994 60.067 61.300 -0.399 0.000 1.265 234 I CB 1.733 39.317 38.000 -0.692 0.000 1.387 234 I HN -0.116 nan 8.210 nan 0.000 0.475 235 V N 5.870 125.565 119.914 -0.365 0.000 2.470 235 V HA 0.115 4.236 4.120 0.001 0.000 0.276 235 V C 0.788 176.589 176.094 -0.488 0.000 1.040 235 V CA -0.389 61.611 62.300 -0.499 0.000 1.008 235 V CB 0.817 32.208 31.823 -0.719 0.000 0.990 235 V HN 0.857 nan 8.190 nan 0.000 0.477 236 T N 1.732 115.875 114.554 -0.685 0.000 2.874 236 T HA 0.637 4.987 4.350 0.001 0.000 0.281 236 T C 0.406 174.708 174.700 -0.663 0.000 0.994 236 T CA -0.121 61.438 62.100 -0.903 0.000 1.015 236 T CB 1.729 69.642 68.868 -1.590 0.000 1.028 236 T HN 0.931 nan 8.240 nan 0.000 0.523 237 G N 0.736 109.166 108.800 -0.618 0.000 4.142 237 G HA2 0.479 4.440 3.960 0.001 0.000 0.310 237 G HA3 0.479 4.440 3.960 0.001 0.000 0.310 237 G C -0.242 174.530 174.900 -0.213 0.000 1.384 237 G CA -0.574 44.376 45.100 -0.251 0.000 0.838 237 G HN 0.547 nan 8.290 nan 0.000 0.512 238 F N 0.319 120.082 119.950 -0.312 0.000 2.797 238 F HA 0.151 4.679 4.527 0.001 0.000 0.302 238 F C 1.860 177.316 175.800 -0.574 0.000 1.130 238 F CA -0.811 56.983 58.000 -0.344 0.000 1.387 238 F CB -0.101 38.693 39.000 -0.342 0.000 1.107 238 F HN 0.237 nan 8.300 nan 0.000 0.577 239 N N 1.092 119.511 118.700 -0.467 0.000 2.120 239 N HA -0.123 4.617 4.740 0.001 0.000 0.188 239 N C 0.261 175.807 175.510 0.060 0.000 1.024 239 N CA 1.280 53.992 53.050 -0.564 0.000 0.852 239 N CB 0.045 38.376 38.487 -0.259 0.000 1.003 239 N HN 0.370 nan 8.380 nan 0.000 0.424 240 K N -3.622 116.812 120.400 0.056 0.000 2.642 240 K HA 0.543 4.864 4.320 0.001 0.000 0.290 240 K C -0.126 176.498 176.600 0.041 0.000 1.006 240 K CA -0.601 55.748 56.287 0.104 0.000 0.869 240 K CB 1.166 33.758 32.500 0.155 0.000 1.499 240 K HN 0.092 nan 8.250 nan 0.000 0.403 241 G N 0.198 109.016 108.800 0.030 0.000 2.545 241 G HA2 -0.257 3.703 3.960 0.001 0.000 0.216 241 G HA3 -0.257 3.703 3.960 0.001 0.000 0.216 241 G C 0.476 175.349 174.900 -0.045 0.000 1.314 241 G CA -0.099 45.019 45.100 0.029 0.000 0.906 241 G HN 1.050 nan 8.290 nan 0.000 0.563 242 V N 0.494 120.323 119.914 -0.143 0.000 2.392 242 V HA -0.090 4.030 4.120 0.001 0.000 0.249 242 V C 2.954 178.992 176.094 -0.094 0.000 1.059 242 V CA 3.703 65.816 62.300 -0.313 0.000 1.051 242 V CB -0.514 30.727 31.823 -0.971 0.000 0.658 242 V HN 1.591 nan 8.190 nan 0.000 0.455 243 S N 0.323 115.976 115.700 -0.078 0.000 2.400 243 S HA -0.251 4.219 4.470 0.001 0.000 0.232 243 S C 1.873 176.695 174.600 0.369 0.000 1.025 243 S CA 1.805 60.074 58.200 0.114 0.000 0.993 243 S CB -0.490 62.701 63.200 -0.015 0.000 0.808 243 S HN 0.951 nan 8.310 nan 0.000 0.478 244 E N -1.061 119.244 120.200 0.174 0.000 2.418 244 E HA -0.134 4.217 4.350 0.001 0.000 0.197 244 E C 0.604 177.156 176.600 -0.080 0.000 1.026 244 E CA 0.821 57.277 56.400 0.094 0.000 0.862 244 E CB -0.343 29.283 29.700 -0.123 0.000 0.799 244 E HN 0.733 nan 8.360 nan 0.000 0.518 245 Y N 0.117 120.598 120.300 0.302 0.000 2.485 245 Y HA 0.387 4.938 4.550 0.001 0.000 0.260 245 Y C 1.476 177.508 175.900 0.220 0.000 1.173 245 Y CA -0.054 58.247 58.100 0.336 0.000 1.252 245 Y CB 1.121 39.869 38.460 0.479 0.000 1.123 245 Y HN 0.207 nan 8.280 nan 0.000 0.524 246 G N -0.661 108.179 108.800 0.067 0.000 2.134 246 G HA2 -0.246 3.714 3.960 0.001 0.000 0.209 246 G HA3 -0.246 3.714 3.960 0.001 0.000 0.209 246 G C -0.261 173.902 174.900 -1.229 0.000 0.993 246 G CA -0.583 43.955 45.100 -0.936 0.000 0.669 246 G HN 0.158 nan 8.290 nan 0.000 0.519 247 F N 0.176 119.944 119.950 -0.304 0.000 2.432 247 F HA 0.807 5.334 4.527 0.001 0.000 0.329 247 F C 0.548 176.328 175.800 -0.034 0.000 1.076 247 F CA -0.688 57.169 58.000 -0.239 0.000 1.018 247 F CB 1.163 39.906 39.000 -0.428 0.000 1.201 247 F HN 0.335 nan 8.300 nan 0.000 0.489 248 Y N -0.281 120.020 120.300 0.001 0.000 2.705 248 Y HA 0.887 5.438 4.550 0.001 0.000 0.332 248 Y C -1.643 174.185 175.900 -0.120 0.000 1.221 248 Y CA -2.088 55.972 58.100 -0.067 0.000 1.059 248 Y CB 0.964 39.441 38.460 0.027 0.000 1.298 248 Y HN 0.753 nan 8.280 nan 0.000 0.459 249 A N 1.631 124.397 122.820 -0.089 0.000 2.454 249 A HA 0.837 5.157 4.320 0.001 0.000 0.302 249 A C -1.548 176.051 177.584 0.025 0.000 1.079 249 A CA -0.962 50.938 52.037 -0.227 0.000 0.731 249 A CB 2.005 20.776 19.000 -0.382 0.000 1.299 249 A HN 0.828 nan 8.150 nan 0.000 0.413 250 K N 0.868 121.260 120.400 -0.014 0.000 2.535 250 K HA 0.458 4.778 4.320 0.001 0.000 0.251 250 K C -0.567 176.069 176.600 0.060 0.000 0.942 250 K CA -0.302 56.042 56.287 0.095 0.000 0.798 250 K CB 0.787 33.395 32.500 0.180 0.000 1.267 250 K HN 0.781 nan 8.250 nan 0.000 0.434 251 N N 2.610 121.367 118.700 0.095 0.000 2.708 251 N HA -0.255 4.486 4.740 0.001 0.000 0.249 251 N C 0.432 175.998 175.510 0.093 0.000 1.097 251 N CA 1.018 54.123 53.050 0.091 0.000 0.710 251 N CB -0.965 37.564 38.487 0.070 0.000 1.032 251 N HN 1.025 nan 8.380 nan 0.000 0.551 252 G N -2.731 106.141 108.800 0.119 0.000 2.159 252 G HA2 -0.285 3.676 3.960 0.001 0.000 0.256 252 G HA3 -0.285 3.676 3.960 0.001 0.000 0.256 252 G C -0.016 174.922 174.900 0.064 0.000 0.977 252 G CA 0.199 45.415 45.100 0.192 0.000 0.652 252 G HN 0.470 nan 8.290 nan 0.000 0.531 253 V N 1.320 121.198 119.914 -0.060 0.000 2.370 253 V HA 0.573 4.694 4.120 0.001 0.000 0.283 253 V C 0.762 176.695 176.094 -0.269 0.000 1.023 253 V CA -0.859 61.370 62.300 -0.118 0.000 0.857 253 V CB 1.801 33.584 31.823 -0.068 0.000 0.985 253 V HN 0.248 nan 8.190 nan 0.000 0.443 254 V N 5.854 125.595 119.914 -0.289 0.000 2.583 254 V HA 0.432 4.553 4.120 0.001 0.000 0.287 254 V C 0.208 176.147 176.094 -0.258 0.000 1.051 254 V CA -0.294 61.812 62.300 -0.322 0.000 1.010 254 V CB 1.093 32.783 31.823 -0.221 0.000 0.988 254 V HN 0.878 nan 8.190 nan 0.000 0.478 255 K N 1.879 122.030 120.400 -0.415 0.000 2.509 255 K HA 0.567 4.888 4.320 0.001 0.000 0.266 255 K C -0.904 175.569 176.600 -0.210 0.000 0.987 255 K CA -0.623 55.444 56.287 -0.367 0.000 0.868 255 K CB 2.206 34.298 32.500 -0.679 0.000 1.421 255 K HN 0.577 nan 8.250 nan 0.000 0.444 256 S N 1.138 116.793 115.700 -0.074 0.000 2.442 256 S HA 0.245 4.716 4.470 0.001 0.000 0.297 256 S C 0.598 175.228 174.600 0.050 0.000 1.131 256 S CA -0.764 57.300 58.200 -0.226 0.000 1.092 256 S CB 0.166 63.143 63.200 -0.372 0.000 0.998 256 S HN 0.553 nan 8.310 nan 0.000 0.478 257 F N 4.461 124.513 119.950 0.169 0.000 2.748 257 F HA 0.229 4.757 4.527 0.001 0.000 0.299 257 F C 1.104 176.830 175.800 -0.123 0.000 1.154 257 F CA 0.273 58.341 58.000 0.113 0.000 1.446 257 F CB -0.784 38.176 39.000 -0.067 0.000 1.112 257 F HN 0.487 nan 8.300 nan 0.000 0.584 258 L N 0.787 121.830 121.223 -0.300 0.000 2.191 258 L HA -0.116 4.225 4.340 0.001 0.000 0.212 258 L C 1.982 178.914 176.870 0.105 0.000 1.103 258 L CA 1.720 56.356 54.840 -0.340 0.000 0.769 258 L CB -0.960 40.898 42.059 -0.336 0.000 0.908 258 L HN 0.461 nan 8.230 nan 0.000 0.438 259 T N -4.482 110.146 114.554 0.123 0.000 3.174 259 T HA 0.160 4.511 4.350 0.001 0.000 0.269 259 T C 0.592 175.596 174.700 0.507 0.000 1.017 259 T CA -0.224 61.989 62.100 0.188 0.000 0.899 259 T CB -0.052 68.786 68.868 -0.049 0.000 1.077 259 T HN 0.200 nan 8.240 nan 0.000 0.552 260 S N 0.627 116.675 115.700 0.581 0.000 2.562 260 S HA 0.324 4.794 4.470 0.001 0.000 0.275 260 S C 0.460 175.352 174.600 0.488 0.000 1.281 260 S CA -0.622 57.872 58.200 0.490 0.000 1.045 260 S CB 1.279 64.719 63.200 0.399 0.000 0.962 260 S HN 0.032 nan 8.310 nan 0.000 0.503 261 D N 1.921 122.494 120.400 0.288 0.000 2.158 261 D HA -0.130 4.511 4.640 0.001 0.000 0.197 261 D C 1.627 177.937 176.300 0.015 0.000 0.995 261 D CA 1.693 55.730 54.000 0.063 0.000 0.846 261 D CB -0.269 40.553 40.800 0.036 0.000 0.941 261 D HN 0.792 nan 8.370 nan 0.000 0.456 262 E N -0.528 119.727 120.200 0.090 0.000 2.085 262 E HA -0.198 4.153 4.350 0.001 0.000 0.194 262 E C 1.901 178.577 176.600 0.126 0.000 0.994 262 E CA 0.745 57.181 56.400 0.060 0.000 0.801 262 E CB -0.337 29.367 29.700 0.006 0.000 0.743 262 E HN 0.383 nan 8.360 nan 0.000 0.453 263 Y N 1.528 121.882 120.300 0.090 0.000 2.145 263 Y HA -0.254 4.296 4.550 0.001 0.000 0.286 263 Y C 2.239 178.175 175.900 0.061 0.000 1.145 263 Y CA 1.984 60.181 58.100 0.162 0.000 1.148 263 Y CB -0.122 38.596 38.460 0.430 0.000 0.981 263 Y HN -0.107 nan 8.280 nan 0.000 0.507 264 K N -0.050 120.272 120.400 -0.131 0.000 2.032 264 K HA -0.220 4.101 4.320 0.001 0.000 0.209 264 K C 1.922 178.342 176.600 -0.300 0.000 1.048 264 K CA 1.941 57.877 56.287 -0.585 0.000 0.927 264 K CB -0.133 31.587 32.500 -1.301 0.000 0.712 264 K HN 0.195 nan 8.250 nan 0.000 0.441 265 E N 0.443 120.561 120.200 -0.137 0.000 2.110 265 E HA -0.139 4.212 4.350 0.001 0.000 0.193 265 E C 2.142 178.821 176.600 0.131 0.000 0.988 265 E CA 1.049 57.469 56.400 0.034 0.000 0.804 265 E CB -0.345 29.419 29.700 0.106 0.000 0.745 265 E HN 0.185 nan 8.360 nan 0.000 0.458 266 V N 1.438 121.419 119.914 0.111 0.000 2.287 266 V HA -0.248 3.873 4.120 0.001 0.000 0.248 266 V C 2.409 178.472 176.094 -0.052 0.000 1.053 266 V CA 1.532 63.832 62.300 -0.000 0.000 1.027 266 V CB -0.423 31.425 31.823 0.042 0.000 0.646 266 V HN 0.193 nan 8.190 nan 0.000 0.447 267 I N -0.622 119.912 120.570 -0.060 0.000 2.252 267 I HA -0.238 3.933 4.170 0.001 0.000 0.245 267 I C 2.508 178.648 176.117 0.038 0.000 1.102 267 I CA 1.551 62.858 61.300 0.012 0.000 1.385 267 I CB -0.360 37.607 38.000 -0.055 0.000 1.064 267 I HN 0.247 nan 8.210 nan 0.000 0.414 268 K N -0.198 120.184 120.400 -0.029 0.000 2.097 268 K HA -0.236 4.085 4.320 0.001 0.000 0.206 268 K C 2.186 178.802 176.600 0.026 0.000 1.049 268 K CA 1.596 57.889 56.287 0.010 0.000 0.933 268 K CB -0.337 32.145 32.500 -0.030 0.000 0.717 268 K HN 0.239 nan 8.250 nan 0.000 0.442 269 Y N 0.361 120.534 120.300 -0.212 0.000 2.163 269 Y HA -0.268 4.282 4.550 0.001 0.000 0.288 269 Y C 1.851 177.533 175.900 -0.364 0.000 1.136 269 Y CA 1.399 59.257 58.100 -0.404 0.000 1.147 269 Y CB -0.364 37.527 38.460 -0.949 0.000 0.987 269 Y HN 0.015 nan 8.280 nan 0.000 0.509 270 Y N -0.701 119.404 120.300 -0.325 0.000 2.207 270 Y HA -0.248 4.303 4.550 0.001 0.000 0.287 270 Y C 2.749 178.499 175.900 -0.250 0.000 1.156 270 Y CA 2.003 59.890 58.100 -0.354 0.000 1.182 270 Y CB -1.169 37.128 38.460 -0.270 0.000 0.979 270 Y HN 0.361 nan 8.280 nan 0.000 0.521 271 H N 0.409 119.460 119.070 -0.032 0.000 2.353 271 H HA -0.118 4.438 4.556 0.001 0.000 0.300 271 H C 2.330 177.616 175.328 -0.069 0.000 1.090 271 H CA 2.106 58.145 56.048 -0.014 0.000 1.327 271 H CB -0.092 29.687 29.762 0.027 0.000 1.383 271 H HN 0.238 nan 8.280 nan 0.000 0.508 272 K N 0.170 120.425 120.400 -0.241 0.000 2.032 272 K HA -0.134 4.187 4.320 0.001 0.000 0.209 272 K C 2.162 178.566 176.600 -0.328 0.000 1.048 272 K CA 1.752 57.864 56.287 -0.292 0.000 0.927 272 K CB -0.170 32.207 32.500 -0.204 0.000 0.712 272 K HN 0.361 nan 8.250 nan 0.000 0.441 273 L N 0.613 121.597 121.223 -0.399 0.000 2.017 273 L HA -0.182 4.158 4.340 0.001 0.000 0.208 273 L C 2.521 179.272 176.870 -0.199 0.000 1.073 273 L CA 1.135 55.778 54.840 -0.329 0.000 0.745 273 L CB -0.435 41.382 42.059 -0.405 0.000 0.894 273 L HN 0.205 nan 8.230 nan 0.000 0.432 274 I N 0.001 120.467 120.570 -0.175 0.000 2.179 274 I HA -0.284 3.887 4.170 0.001 0.000 0.242 274 I C 2.812 178.871 176.117 -0.096 0.000 1.088 274 I CA 1.633 62.880 61.300 -0.088 0.000 1.357 274 I CB -0.308 37.690 38.000 -0.004 0.000 1.051 274 I HN 0.326 nan 8.210 nan 0.000 0.409 275 S N 0.043 115.605 115.700 -0.231 0.000 2.442 275 S HA -0.173 4.298 4.470 0.001 0.000 0.236 275 S C 1.623 176.148 174.600 -0.124 0.000 1.007 275 S CA 1.051 59.124 58.200 -0.210 0.000 0.965 275 S CB -0.463 62.488 63.200 -0.415 0.000 0.773 275 S HN 0.503 nan 8.310 nan 0.000 0.504 276 E N 0.732 120.854 120.200 -0.130 0.000 2.476 276 E HA 0.303 4.654 4.350 0.001 0.000 0.191 276 E C 1.057 177.628 176.600 -0.049 0.000 1.064 276 E CA 0.164 56.513 56.400 -0.085 0.000 0.866 276 E CB -0.151 29.489 29.700 -0.100 0.000 0.952 276 E HN 0.712 nan 8.360 nan 0.000 0.492 277 G N 1.020 109.800 108.800 -0.034 0.000 2.143 277 G HA2 -0.289 3.672 3.960 0.001 0.000 0.248 277 G HA3 -0.289 3.672 3.960 0.001 0.000 0.248 277 G C 0.690 175.598 174.900 0.012 0.000 0.991 277 G CA 0.246 45.347 45.100 0.002 0.000 0.689 277 G HN 0.315 nan 8.290 nan 0.000 0.522 278 L N -0.877 120.338 121.223 -0.012 0.000 2.529 278 L HA 0.483 4.824 4.340 0.001 0.000 0.223 278 L C 1.115 178.005 176.870 0.033 0.000 1.113 278 L CA 0.455 55.298 54.840 0.005 0.000 0.861 278 L CB 0.185 42.217 42.059 -0.045 0.000 1.012 278 L HN 0.281 nan 8.230 nan 0.000 0.461 279 I N -0.752 119.831 120.570 0.022 0.000 2.686 279 I HA 0.343 4.514 4.170 0.001 0.000 0.295 279 I C -2.427 173.749 176.117 0.098 0.000 1.114 279 I CA -2.058 59.266 61.300 0.040 0.000 1.038 279 I CB 2.591 40.547 38.000 -0.072 0.000 1.238 279 I HN -0.304 nan 8.210 nan 0.000 0.420 280 P HA 0.058 nan 4.420 nan 0.000 0.266 280 P C 0.340 177.802 177.300 0.270 0.000 1.195 280 P CA 0.053 63.269 63.100 0.194 0.000 0.768 280 P CB 0.901 32.726 31.700 0.209 0.000 0.838 281 A N 3.940 126.879 122.820 0.198 0.000 1.917 281 A HA -0.221 4.100 4.320 0.001 0.000 0.219 281 A C 1.552 179.252 177.584 0.194 0.000 1.182 281 A CA 1.876 54.034 52.037 0.201 0.000 0.633 281 A CB -0.951 18.119 19.000 0.117 0.000 0.819 281 A HN 0.732 nan 8.150 nan 0.000 0.448 282 E N 0.459 120.736 120.200 0.128 0.000 2.394 282 E HA -0.033 4.318 4.350 0.001 0.000 0.191 282 E C 1.293 177.880 176.600 -0.022 0.000 1.044 282 E CA -0.048 56.358 56.400 0.011 0.000 0.939 282 E CB -0.437 29.268 29.700 0.008 0.000 1.089 282 E HN 0.872 nan 8.360 nan 0.000 0.456 283 W N 0.461 121.784 121.300 0.038 0.000 2.325 283 W HA -0.203 4.458 4.660 0.001 0.000 0.299 283 W C 1.270 177.790 176.519 0.002 0.000 1.215 283 W CA 1.396 58.763 57.345 0.037 0.000 1.244 283 W CB -0.881 28.596 29.460 0.029 0.000 1.140 283 W HN 0.208 nan 8.180 nan 0.000 0.523 284 A N 1.110 123.099 122.820 -1.386 0.000 2.119 284 A HA -0.071 4.250 4.320 0.001 0.000 0.217 284 A C 1.912 179.120 177.584 -0.626 0.000 1.153 284 A CA 2.134 53.268 52.037 -1.504 0.000 0.692 284 A CB -0.977 17.088 19.000 -1.559 0.000 0.799 284 A HN 0.435 nan 8.150 nan 0.000 0.458 285 T N -3.742 110.582 114.554 -0.384 0.000 3.040 285 T HA 0.269 4.619 4.350 0.001 0.000 0.266 285 T C 0.400 175.033 174.700 -0.113 0.000 1.005 285 T CA -0.205 61.767 62.100 -0.213 0.000 0.906 285 T CB -0.169 68.598 68.868 -0.168 0.000 1.082 285 T HN 0.293 nan 8.240 nan 0.000 0.531 286 K N 2.113 122.467 120.400 -0.076 0.000 2.297 286 K HA 0.236 4.556 4.320 0.001 0.000 0.286 286 K C -0.646 175.969 176.600 0.024 0.000 1.053 286 K CA -0.430 55.865 56.287 0.013 0.000 0.940 286 K CB 0.551 33.109 32.500 0.097 0.000 1.019 286 K HN 0.095 nan 8.250 nan 0.000 0.475 287 D N 2.922 123.342 120.400 0.032 0.000 2.399 287 D HA -0.049 4.592 4.640 0.001 0.000 0.241 287 D C 0.783 177.133 176.300 0.084 0.000 1.133 287 D CA 0.187 54.206 54.000 0.032 0.000 0.890 287 D CB 1.126 41.941 40.800 0.024 0.000 1.201 287 D HN 0.617 nan 8.370 nan 0.000 0.432 288 D N 1.202 121.644 120.400 0.071 0.000 2.133 288 D HA -0.217 4.423 4.640 0.001 0.000 0.192 288 D C 0.986 177.393 176.300 0.178 0.000 1.001 288 D CA 1.515 55.594 54.000 0.132 0.000 0.844 288 D CB 0.126 40.980 40.800 0.090 0.000 0.944 288 D HN 0.416 nan 8.370 nan 0.000 0.447 289 D N -0.440 120.020 120.400 0.100 0.000 2.123 289 D HA -0.158 4.483 4.640 0.001 0.000 0.196 289 D C 1.974 178.317 176.300 0.071 0.000 0.992 289 D CA 1.479 55.522 54.000 0.071 0.000 0.833 289 D CB -0.458 40.364 40.800 0.038 0.000 0.954 289 D HN 0.338 nan 8.370 nan 0.000 0.455 290 A N 0.318 123.188 122.820 0.084 0.000 1.930 290 A HA -0.197 4.124 4.320 0.001 0.000 0.217 290 A C 2.175 179.819 177.584 0.100 0.000 1.175 290 A CA 1.267 53.350 52.037 0.075 0.000 0.627 290 A CB -1.028 18.016 19.000 0.073 0.000 0.815 290 A HN 0.370 nan 8.150 nan 0.000 0.443 291 Y N 1.441 121.760 120.300 0.033 0.000 2.128 291 Y HA -0.245 4.306 4.550 0.001 0.000 0.284 291 Y C 2.157 178.064 175.900 0.012 0.000 1.154 291 Y CA 2.208 60.335 58.100 0.046 0.000 1.149 291 Y CB -0.294 38.211 38.460 0.075 0.000 0.976 291 Y HN 0.307 nan 8.280 nan 0.000 0.505 292 N N 0.629 119.276 118.700 -0.088 0.000 2.188 292 N HA -0.138 4.603 4.740 0.001 0.000 0.184 292 N C 1.987 177.367 175.510 -0.218 0.000 1.018 292 N CA 1.339 54.248 53.050 -0.235 0.000 0.858 292 N CB -0.615 37.846 38.487 -0.042 0.000 0.989 292 N HN 0.550 nan 8.380 nan 0.000 0.426 293 A N 1.328 124.085 122.820 -0.105 0.000 1.972 293 A HA -0.147 4.174 4.320 0.001 0.000 0.219 293 A C 1.755 179.289 177.584 -0.083 0.000 1.169 293 A CA 1.353 53.345 52.037 -0.075 0.000 0.635 293 A CB -0.288 18.697 19.000 -0.025 0.000 0.810 293 A HN 0.106 nan 8.150 nan 0.000 0.446 294 D N -0.349 119.989 120.400 -0.104 0.000 2.116 294 D HA -0.176 4.464 4.640 0.001 0.000 0.193 294 D C 2.110 178.361 176.300 -0.083 0.000 0.998 294 D CA 1.786 55.741 54.000 -0.074 0.000 0.836 294 D CB -0.289 40.461 40.800 -0.083 0.000 0.951 294 D HN 0.457 nan 8.370 nan 0.000 0.449 295 Q N -0.191 119.478 119.800 -0.217 0.000 2.083 295 Q HA 0.006 4.346 4.340 0.001 0.000 0.198 295 Q C 2.230 178.156 176.000 -0.122 0.000 0.969 295 Q CA 0.441 56.106 55.803 -0.230 0.000 0.838 295 Q CB -0.067 28.227 28.738 -0.741 0.000 0.900 295 Q HN 0.292 nan 8.270 nan 0.000 0.436 296 I N -0.384 120.086 120.570 -0.166 0.000 2.315 296 I HA -0.179 3.992 4.170 0.001 0.000 0.248 296 I C 1.495 177.614 176.117 0.003 0.000 1.117 296 I CA 0.999 62.252 61.300 -0.079 0.000 1.404 296 I CB -0.979 36.965 38.000 -0.093 0.000 1.071 296 I HN 0.270 nan 8.210 nan 0.000 0.419 297 S N 1.652 117.354 115.700 0.004 0.000 3.762 297 S HA -0.300 4.171 4.470 0.001 0.000 0.627 297 S C 0.831 175.448 174.600 0.027 0.000 2.389 297 S CA 1.851 60.071 58.200 0.033 0.000 3.978 297 S CB -1.294 61.950 63.200 0.073 0.000 0.234 297 S HN 0.635 nan 8.310 nan 0.000 0.960 298 D N 1.034 121.457 120.400 0.039 0.000 2.363 298 D HA 0.376 5.016 4.640 0.001 0.000 0.214 298 D C 1.383 177.703 176.300 0.034 0.000 1.093 298 D CA 1.271 55.289 54.000 0.031 0.000 0.837 298 D CB -0.539 40.280 40.800 0.032 0.000 0.948 298 D HN 1.723 nan 8.370 nan 0.000 0.507 299 G N 0.724 109.550 108.800 0.043 0.000 2.184 299 G HA2 -0.379 3.581 3.960 0.001 0.000 0.264 299 G HA3 -0.379 3.581 3.960 0.001 0.000 0.264 299 G C 1.097 176.027 174.900 0.051 0.000 0.975 299 G CA 0.751 45.879 45.100 0.047 0.000 0.642 299 G HN 0.469 nan 8.290 nan 0.000 0.536 300 K N -0.976 119.455 120.400 0.052 0.000 2.362 300 K HA 0.145 4.465 4.320 0.001 0.000 0.203 300 K C 0.292 176.930 176.600 0.063 0.000 1.198 300 K CA 1.014 57.331 56.287 0.049 0.000 0.908 300 K CB 0.630 33.153 32.500 0.038 0.000 1.236 300 K HN 0.283 nan 8.250 nan 0.000 0.487 301 T N 1.778 116.377 114.554 0.075 0.000 2.772 301 T HA 0.457 4.808 4.350 0.001 0.000 0.288 301 T C -0.531 174.252 174.700 0.138 0.000 0.994 301 T CA -0.615 61.545 62.100 0.100 0.000 0.951 301 T CB 1.621 70.540 68.868 0.085 0.000 0.933 301 T HN 0.165 nan 8.240 nan 0.000 0.447 302 A N 3.186 126.112 122.820 0.176 0.000 2.462 302 A HA 0.415 4.736 4.320 0.001 0.000 0.243 302 A C 1.165 178.944 177.584 0.326 0.000 1.076 302 A CA -0.230 51.925 52.037 0.196 0.000 0.773 302 A CB 0.349 19.374 19.000 0.040 0.000 1.010 302 A HN 0.724 nan 8.150 nan 0.000 0.493 303 K N 0.676 121.238 120.400 0.270 0.000 2.399 303 K HA 0.121 4.442 4.320 0.001 0.000 0.196 303 K C -0.119 176.714 176.600 0.388 0.000 1.117 303 K CA 0.835 57.311 56.287 0.315 0.000 0.965 303 K CB 0.588 33.199 32.500 0.184 0.000 0.983 303 K HN 0.666 nan 8.250 nan 0.000 0.531 304 T N -0.041 114.636 114.554 0.206 0.000 2.807 304 T HA 0.359 4.710 4.350 0.001 0.000 0.279 304 T C 0.955 175.571 174.700 -0.140 0.000 0.993 304 T CA -0.476 61.723 62.100 0.165 0.000 0.970 304 T CB 2.007 71.001 68.868 0.209 0.000 0.950 304 T HN 0.199 nan 8.240 nan 0.000 0.441 305 G N 1.938 110.748 108.800 0.016 0.000 2.411 305 G HA2 0.270 4.231 3.960 0.001 0.000 0.213 305 G HA3 0.270 4.231 3.960 0.001 0.000 0.213 305 G C 0.101 175.039 174.900 0.062 0.000 1.166 305 G CA 0.330 45.318 45.100 -0.187 0.000 0.802 305 G HN 0.594 nan 8.290 nan 0.000 0.533 306 V N 0.276 120.305 119.914 0.192 0.000 2.733 306 V HA 0.589 4.710 4.120 0.001 0.000 0.306 306 V C -0.590 175.559 176.094 0.092 0.000 1.084 306 V CA -0.678 61.707 62.300 0.141 0.000 0.905 306 V CB 1.920 33.816 31.823 0.122 0.000 1.010 306 V HN 0.455 nan 8.190 nan 0.000 0.424 307 V N 0.803 120.748 119.914 0.052 0.000 3.188 307 V HA 0.752 4.873 4.120 0.001 0.000 0.305 307 V C -1.344 174.684 176.094 -0.109 0.000 1.232 307 V CA -0.994 61.315 62.300 0.016 0.000 1.043 307 V CB 2.278 34.169 31.823 0.113 0.000 1.068 307 V HN 0.497 nan 8.190 nan 0.000 0.439 308 F N 1.235 121.367 119.950 0.305 0.000 2.394 308 F HA 0.961 5.489 4.527 0.001 0.000 0.340 308 F C 1.054 176.938 175.800 0.141 0.000 1.105 308 F CA 0.733 58.928 58.000 0.326 0.000 1.124 308 F CB 1.588 40.849 39.000 0.434 0.000 1.145 308 F HN 1.136 nan 8.300 nan 0.000 0.505 309 G N 1.749 110.677 108.800 0.213 0.000 2.489 309 G HA2 0.044 4.004 3.960 0.001 0.000 0.305 309 G HA3 0.044 4.004 3.960 0.001 0.000 0.305 309 G C -0.798 174.162 174.900 0.100 0.000 1.311 309 G CA -0.740 44.102 45.100 -0.429 0.000 0.813 309 G HN 0.684 nan 8.290 nan 0.000 0.480 310 W N 0.809 122.076 121.300 -0.055 0.000 2.452 310 W HA 0.290 4.951 4.660 0.001 0.000 0.313 310 W C 0.682 177.347 176.519 0.243 0.000 1.176 310 W CA 2.127 59.713 57.345 0.402 0.000 1.350 310 W CB 0.121 29.810 29.460 0.381 0.000 1.148 310 W HN 0.978 nan 8.180 nan 0.000 0.498 311 S N -2.461 113.429 115.700 0.318 0.000 2.565 311 S HA 0.283 4.754 4.470 0.001 0.000 0.274 311 S C -2.224 172.488 174.600 0.188 0.000 1.144 311 S CA -1.026 57.269 58.200 0.158 0.000 0.849 311 S CB 1.792 65.117 63.200 0.208 0.000 1.103 311 S HN -0.255 nan 8.310 nan 0.000 0.455 312 P HA -0.150 nan 4.420 nan 0.000 0.216 312 P C 1.693 179.111 177.300 0.197 0.000 1.154 312 P CA 2.103 65.335 63.100 0.219 0.000 0.865 312 P CB 0.010 31.805 31.700 0.157 0.000 0.789 313 S N -1.098 114.697 115.700 0.159 0.000 2.368 313 S HA -0.196 4.275 4.470 0.001 0.000 0.224 313 S C 1.933 176.601 174.600 0.114 0.000 1.029 313 S CA 1.808 60.089 58.200 0.135 0.000 0.988 313 S CB -1.187 62.096 63.200 0.138 0.000 0.838 313 S HN 0.035 nan 8.310 nan 0.000 0.462 314 D N 0.505 121.004 120.400 0.166 0.000 2.144 314 D HA -0.025 4.616 4.640 0.001 0.000 0.200 314 D C 1.668 177.950 176.300 -0.029 0.000 0.978 314 D CA 1.345 55.417 54.000 0.121 0.000 0.833 314 D CB -0.287 40.669 40.800 0.259 0.000 0.961 314 D HN 0.549 nan 8.370 nan 0.000 0.470 315 N N -1.804 116.822 118.700 -0.123 0.000 2.405 315 N HA 0.103 4.843 4.740 0.001 0.000 0.175 315 N C 0.337 175.329 175.510 -0.864 0.000 1.051 315 N CA 0.405 53.154 53.050 -0.501 0.000 0.899 315 N CB 0.285 38.385 38.487 -0.645 0.000 1.000 315 N HN 0.153 nan 8.380 nan 0.000 0.451 316 F N -0.706 119.113 119.950 -0.218 0.000 2.746 316 F HA 0.407 4.934 4.527 0.001 0.000 0.320 316 F C 1.766 177.493 175.800 -0.121 0.000 1.097 316 F CA -0.058 57.781 58.000 -0.268 0.000 1.195 316 F CB 0.105 38.770 39.000 -0.557 0.000 1.056 316 F HN -0.052 nan 8.300 nan 0.000 0.562 317 G N 1.557 110.382 108.800 0.041 0.000 2.685 317 G HA2 -0.412 3.548 3.960 0.001 0.000 0.329 317 G HA3 -0.412 3.548 3.960 0.001 0.000 0.329 317 G C 1.500 176.444 174.900 0.073 0.000 1.271 317 G CA 0.820 45.947 45.100 0.045 0.000 1.003 317 G HN 0.162 nan 8.290 nan 0.000 0.549 318 K N 0.464 120.899 120.400 0.060 0.000 2.281 318 K HA 0.031 4.352 4.320 0.001 0.000 0.203 318 K C 2.408 179.054 176.600 0.077 0.000 1.046 318 K CA 1.243 57.566 56.287 0.060 0.000 0.938 318 K CB -0.312 32.215 32.500 0.045 0.000 0.737 318 K HN 0.535 nan 8.250 nan 0.000 0.458 319 L N 1.345 122.634 121.223 0.111 0.000 2.591 319 L HA 0.022 4.362 4.340 0.001 0.000 0.228 319 L C 2.075 179.050 176.870 0.176 0.000 1.133 319 L CA 0.097 55.020 54.840 0.138 0.000 0.880 319 L CB -0.298 41.876 42.059 0.192 0.000 1.033 319 L HN 0.150 nan 8.230 nan 0.000 0.450 320 K N -0.498 119.995 120.400 0.154 0.000 2.160 320 K HA -0.224 4.096 4.320 0.001 0.000 0.206 320 K C 0.810 177.485 176.600 0.124 0.000 1.047 320 K CA 1.769 58.154 56.287 0.164 0.000 0.930 320 K CB -0.297 32.278 32.500 0.125 0.000 0.720 320 K HN 0.232 nan 8.250 nan 0.000 0.450 321 D N 1.343 121.780 120.400 0.061 0.000 2.310 321 D HA -0.105 4.535 4.640 0.001 0.000 0.212 321 D C 1.699 177.961 176.300 -0.063 0.000 0.965 321 D CA 0.873 54.877 54.000 0.006 0.000 0.879 321 D CB 0.011 40.809 40.800 -0.002 0.000 0.921 321 D HN 0.480 nan 8.370 nan 0.000 0.510 322 Q N -0.771 118.958 119.800 -0.119 0.000 2.378 322 Q HA -0.040 4.301 4.340 0.001 0.000 0.205 322 Q C -0.146 175.483 176.000 -0.619 0.000 0.954 322 Q CA 0.581 56.147 55.803 -0.395 0.000 0.901 322 Q CB 0.301 28.678 28.738 -0.601 0.000 0.981 322 Q HN 0.351 nan 8.270 nan 0.000 0.483 323 Y N 0.154 120.277 120.300 -0.295 0.000 2.468 323 Y HA 0.465 5.016 4.550 0.001 0.000 0.342 323 Y C 0.099 175.895 175.900 -0.173 0.000 1.021 323 Y CA -1.265 56.639 58.100 -0.325 0.000 1.079 323 Y CB 1.302 39.482 38.460 -0.466 0.000 1.226 323 Y HN -0.072 nan 8.280 nan 0.000 0.460 324 I N -0.476 120.092 120.570 -0.004 0.000 3.042 324 I HA 1.007 5.178 4.170 0.001 0.000 0.310 324 I C -0.642 175.483 176.117 0.014 0.000 1.117 324 I CA -1.339 59.954 61.300 -0.010 0.000 1.003 324 I CB 1.893 39.858 38.000 -0.057 0.000 1.228 324 I HN 0.610 nan 8.210 nan 0.000 0.443 328 V N 2.928 122.859 119.914 0.028 0.000 2.655 328 V HA 0.295 4.416 4.120 0.001 0.000 0.300 328 V C -2.041 174.150 176.094 0.162 0.000 1.044 328 V CA -1.198 61.203 62.300 0.168 0.000 1.095 328 V CB 0.528 32.596 31.823 0.408 0.000 0.952 328 V HN 0.480 nan 8.190 nan 0.000 0.485 329 P HA 0.157 nan 4.420 nan 0.000 0.269 329 P C -0.771 176.567 177.300 0.063 0.000 1.209 329 P CA 0.073 63.255 63.100 0.138 0.000 0.776 329 P CB 0.417 32.255 31.700 0.230 0.000 0.876 330 S N 0.924 116.579 115.700 -0.074 0.000 2.565 330 S HA 0.484 4.955 4.470 0.001 0.000 0.274 330 S C 0.353 174.568 174.600 -0.642 0.000 1.309 330 S CA -0.506 57.545 58.200 -0.249 0.000 1.043 330 S CB 0.571 63.666 63.200 -0.176 0.000 0.939 330 S HN 0.567 nan 8.310 nan 0.000 0.504 331 A N 3.866 126.087 122.820 -0.999 0.000 2.366 331 A HA 0.525 4.845 4.320 0.001 0.000 0.249 331 A C -2.491 174.618 177.584 -0.792 0.000 1.084 331 A CA -1.548 49.518 52.037 -1.618 0.000 0.794 331 A CB -0.630 17.342 19.000 -1.713 0.000 1.034 331 A HN 0.501 nan 8.150 nan 0.000 0.491 332 P HA 0.208 nan 4.420 nan 0.000 0.262 332 P C 0.986 178.127 177.300 -0.265 0.000 1.182 332 P CA 2.073 64.987 63.100 -0.311 0.000 0.761 332 P CB 0.482 32.066 31.700 -0.195 0.000 0.795 333 G N 1.336 110.023 108.800 -0.188 0.000 2.179 333 G HA2 -0.210 3.751 3.960 0.001 0.000 0.260 333 G HA3 -0.210 3.751 3.960 0.001 0.000 0.260 333 G C -0.025 174.783 174.900 -0.152 0.000 0.977 333 G CA -0.069 44.944 45.100 -0.146 0.000 0.641 333 G HN 0.533 nan 8.290 nan 0.000 0.533 334 V N 2.312 122.106 119.914 -0.200 0.000 2.347 334 V HA 0.641 4.762 4.120 0.001 0.000 0.280 334 V C 0.955 176.964 176.094 -0.143 0.000 1.021 334 V CA -0.183 62.011 62.300 -0.177 0.000 0.847 334 V CB 1.370 33.055 31.823 -0.230 0.000 0.990 334 V HN 0.926 nan 8.190 nan 0.000 0.444 335 S N 5.802 121.438 115.700 -0.108 0.000 2.593 335 S HA 0.300 4.771 4.470 0.001 0.000 0.269 335 S C -1.557 172.994 174.600 -0.081 0.000 1.334 335 S CA -0.826 57.319 58.200 -0.092 0.000 1.015 335 S CB 1.193 64.341 63.200 -0.086 0.000 0.912 335 S HN 0.502 nan 8.310 nan 0.000 0.541 336 P HA -0.094 nan 4.420 nan 0.000 0.216 336 P C 0.665 177.923 177.300 -0.069 0.000 1.153 336 P CA 1.323 64.415 63.100 -0.014 0.000 0.858 336 P CB -0.083 31.619 31.700 0.003 0.000 0.789 337 D N -0.937 119.330 120.400 -0.222 0.000 2.178 337 D HA -0.153 4.488 4.640 0.001 0.000 0.201 337 D C 1.841 177.851 176.300 -0.483 0.000 0.980 337 D CA 1.113 54.784 54.000 -0.548 0.000 0.842 337 D CB -0.466 40.149 40.800 -0.308 0.000 0.948 337 D HN 0.346 nan 8.370 nan 0.000 0.472 338 Q N -0.560 119.130 119.800 -0.185 0.000 2.392 338 Q HA 0.090 4.431 4.340 0.001 0.000 0.203 338 Q C -0.002 176.013 176.000 0.024 0.000 0.917 338 Q CA 0.320 56.082 55.803 -0.068 0.000 0.939 338 Q CB 0.606 29.306 28.738 -0.064 0.000 1.063 338 Q HN 0.075 nan 8.270 nan 0.000 0.516 339 T N 1.500 116.102 114.554 0.080 0.000 2.832 339 T HA 0.331 4.681 4.350 0.001 0.000 0.296 339 T C 0.049 174.931 174.700 0.303 0.000 0.968 339 T CA -0.464 61.721 62.100 0.142 0.000 1.107 339 T CB 1.142 70.076 68.868 0.110 0.000 0.916 339 T HN 0.065 nan 8.240 nan 0.000 0.517 340 V N 0.662 120.712 119.914 0.227 0.000 3.204 340 V HA 0.799 4.919 4.120 0.001 0.000 0.316 340 V C -0.913 175.377 176.094 0.328 0.000 1.160 340 V CA -1.243 61.222 62.300 0.276 0.000 1.044 340 V CB 2.295 34.211 31.823 0.154 0.000 1.136 340 V HN 0.938 nan 8.190 nan 0.000 0.455 341 W N 0.269 121.616 121.300 0.078 0.000 3.029 341 W HA 0.382 5.043 4.660 0.001 0.000 0.339 341 W C -0.789 175.643 176.519 -0.145 0.000 1.198 341 W CA -0.485 56.850 57.345 -0.017 0.000 1.148 341 W CB 1.940 31.446 29.460 0.076 0.000 1.451 341 W HN 0.941 nan 8.180 nan 0.000 0.564 342 D N 1.049 120.570 120.400 -1.464 0.000 2.583 342 D HA -0.012 4.629 4.640 0.001 0.000 0.232 342 D C 0.917 176.872 176.300 -0.576 0.000 1.128 342 D CA 1.079 54.414 54.000 -1.109 0.000 0.859 342 D CB 1.252 41.241 40.800 -1.351 0.000 1.169 342 D HN 0.610 nan 8.370 nan 0.000 0.481 343 G N 2.688 111.170 108.800 -0.530 0.000 3.233 343 G HA2 0.013 3.974 3.960 0.001 0.000 0.227 343 G HA3 0.013 3.974 3.960 0.001 0.000 0.227 343 G C 0.543 175.118 174.900 -0.541 0.000 1.175 343 G CA -0.234 44.551 45.100 -0.525 0.000 0.781 343 G HN 0.405 nan 8.290 nan 0.000 0.542 344 S N -0.221 115.302 115.700 -0.294 0.000 2.580 344 S HA 0.398 4.869 4.470 0.001 0.000 0.266 344 S C 0.398 174.954 174.600 -0.074 0.000 1.354 344 S CA -0.113 58.008 58.200 -0.131 0.000 1.008 344 S CB 1.481 64.573 63.200 -0.182 0.000 0.898 344 S HN 0.268 nan 8.310 nan 0.000 0.555 345 S N 0.073 115.789 115.700 0.027 0.000 2.500 345 S HA 0.394 4.864 4.470 0.001 0.000 0.301 345 S C 0.325 175.027 174.600 0.170 0.000 1.092 345 S CA -0.831 57.426 58.200 0.096 0.000 1.030 345 S CB 1.295 64.565 63.200 0.116 0.000 1.031 345 S HN 0.504 nan 8.310 nan 0.000 0.483 346 S N 3.010 118.860 115.700 0.251 0.000 2.575 346 S HA 0.110 4.580 4.470 0.001 0.000 0.215 346 S C 1.305 176.105 174.600 0.334 0.000 0.966 346 S CA -0.110 58.318 58.200 0.379 0.000 0.911 346 S CB 0.025 63.578 63.200 0.587 0.000 0.780 346 S HN 0.845 nan 8.310 nan 0.000 0.514 347 E N 1.200 121.568 120.200 0.279 0.000 2.030 347 E HA 0.092 4.442 4.350 0.001 0.000 0.189 347 E C -0.011 176.708 176.600 0.199 0.000 0.974 347 E CA 0.415 56.961 56.400 0.243 0.000 0.807 347 E CB 0.158 30.011 29.700 0.254 0.000 0.771 347 E HN 0.353 nan 8.360 nan 0.000 0.451 348 L N 0.869 122.229 121.223 0.229 0.000 2.357 348 L HA 0.332 4.673 4.340 0.001 0.000 0.273 348 L C -0.050 176.948 176.870 0.215 0.000 1.080 348 L CA -0.582 54.409 54.840 0.251 0.000 0.803 348 L CB 1.688 43.905 42.059 0.263 0.000 1.174 348 L HN -0.008 nan 8.230 nan 0.000 0.443 349 S N 2.720 118.550 115.700 0.217 0.000 2.614 349 S HA 0.622 5.093 4.470 0.001 0.000 0.275 349 S C -2.768 171.945 174.600 0.189 0.000 1.161 349 S CA -1.151 57.158 58.200 0.182 0.000 0.969 349 S CB 2.038 65.326 63.200 0.148 0.000 1.059 349 S HN 0.225 nan 8.310 nan 0.000 0.482 350 P HA 0.493 nan 4.420 nan 0.000 0.276 350 P C -0.315 177.077 177.300 0.153 0.000 1.261 350 P CA 0.361 63.555 63.100 0.156 0.000 0.800 350 P CB 0.551 32.327 31.700 0.126 0.000 1.066 351 A N 0.122 123.035 122.820 0.155 0.000 2.800 351 A HA -0.102 4.218 4.320 0.001 0.000 0.292 351 A C 1.415 179.089 177.584 0.149 0.000 1.474 351 A CA 1.027 53.149 52.037 0.142 0.000 0.744 351 A CB -2.372 16.699 19.000 0.118 0.000 1.044 351 A HN 0.704 nan 8.150 nan 0.000 0.489 352 G N -1.130 107.784 108.800 0.190 0.000 2.447 352 G HA2 0.392 4.353 3.960 0.001 0.000 0.211 352 G HA3 0.392 4.353 3.960 0.001 0.000 0.211 352 G C 0.520 175.539 174.900 0.197 0.000 1.184 352 G CA 0.865 46.074 45.100 0.181 0.000 0.813 352 G HN 1.206 nan 8.290 nan 0.000 0.540 353 L N 1.329 122.706 121.223 0.256 0.000 2.333 353 L HA 0.707 5.048 4.340 0.001 0.000 0.280 353 L C -1.021 175.975 176.870 0.209 0.000 1.004 353 L CA -0.275 54.714 54.840 0.248 0.000 0.820 353 L CB 2.347 44.602 42.059 0.327 0.000 1.247 353 L HN 0.000 nan 8.230 nan 0.000 0.416 354 S N 4.798 120.633 115.700 0.225 0.000 2.548 354 S HA 0.689 5.159 4.470 0.001 0.000 0.286 354 S C -0.865 173.920 174.600 0.309 0.000 1.098 354 S CA -0.491 57.861 58.200 0.253 0.000 0.930 354 S CB 1.833 65.150 63.200 0.195 0.000 1.070 354 S HN 0.462 nan 8.310 nan 0.000 0.480 355 I N 1.557 122.320 120.570 0.321 0.000 2.465 355 I HA 0.346 4.517 4.170 0.001 0.000 0.291 355 I C 0.249 176.511 176.117 0.242 0.000 1.014 355 I CA -0.545 60.898 61.300 0.239 0.000 1.093 355 I CB 2.079 40.170 38.000 0.151 0.000 1.267 355 I HN 0.564 nan 8.210 nan 0.000 0.431 356 S N 3.039 118.809 115.700 0.116 0.000 2.546 356 S HA -0.022 4.449 4.470 0.001 0.000 0.290 356 S C 1.465 176.080 174.600 0.026 0.000 1.290 356 S CA 0.161 58.349 58.200 -0.019 0.000 1.069 356 S CB 0.621 63.800 63.200 -0.035 0.000 0.846 356 S HN 0.796 nan 8.310 nan 0.000 0.495 357 S N 3.958 119.664 115.700 0.011 0.000 2.419 357 S HA -0.136 4.335 4.470 0.001 0.000 0.233 357 S C 1.019 175.582 174.600 -0.062 0.000 1.016 357 S CA 1.202 59.406 58.200 0.007 0.000 0.974 357 S CB -0.599 62.604 63.200 0.005 0.000 0.786 357 S HN 0.913 nan 8.310 nan 0.000 0.492 358 H N 1.829 120.851 119.070 -0.079 0.000 2.538 358 H HA 0.626 5.183 4.556 0.001 0.000 0.286 358 H C 0.850 176.147 175.328 -0.051 0.000 1.035 358 H CA 0.015 56.024 56.048 -0.065 0.000 1.169 358 H CB -0.440 29.271 29.762 -0.084 0.000 1.417 358 H HN 0.586 nan 8.280 nan 0.000 0.567 359 A N 0.929 123.772 122.820 0.038 0.000 2.566 359 A HA 0.225 4.546 4.320 0.001 0.000 0.245 359 A C 1.831 179.418 177.584 0.005 0.000 1.056 359 A CA 0.526 52.572 52.037 0.017 0.000 0.757 359 A CB -0.142 18.864 19.000 0.011 0.000 0.979 359 A HN 0.575 nan 8.150 nan 0.000 0.508 360 A N 3.382 126.203 122.820 0.002 0.000 1.873 360 A HA -0.128 4.192 4.320 0.001 0.000 0.218 360 A C 1.048 178.624 177.584 -0.012 0.000 1.193 360 A CA 1.557 53.591 52.037 -0.005 0.000 0.629 360 A CB -0.310 18.684 19.000 -0.010 0.000 0.826 360 A HN 0.820 nan 8.150 nan 0.000 0.447 361 N N -0.609 118.081 118.700 -0.016 0.000 2.936 361 N HA 0.195 4.935 4.740 0.001 0.000 0.243 361 N C 0.265 175.767 175.510 -0.013 0.000 1.149 361 N CA -0.121 52.919 53.050 -0.017 0.000 0.914 361 N CB 1.472 39.946 38.487 -0.022 0.000 1.179 361 N HN 0.479 nan 8.380 nan 0.000 0.502 362 K N 1.134 121.528 120.400 -0.010 0.000 2.026 362 K HA -0.142 4.179 4.320 0.001 0.000 0.208 362 K C 0.562 177.162 176.600 -0.001 0.000 1.048 362 K CA 1.513 57.797 56.287 -0.004 0.000 0.929 362 K CB 0.314 32.809 32.500 -0.007 0.000 0.713 362 K HN 0.163 nan 8.250 nan 0.000 0.439 363 D N 0.205 120.604 120.400 -0.003 0.000 2.123 363 D HA -0.153 4.488 4.640 0.001 0.000 0.196 363 D C 1.733 178.034 176.300 0.001 0.000 0.992 363 D CA 1.423 55.423 54.000 0.001 0.000 0.833 363 D CB -0.269 40.532 40.800 0.000 0.000 0.954 363 D HN 0.354 nan 8.370 nan 0.000 0.455 364 A N 0.904 123.720 122.820 -0.006 0.000 1.902 364 A HA -0.053 4.268 4.320 0.001 0.000 0.217 364 A C 2.309 179.885 177.584 -0.014 0.000 1.181 364 A CA 2.235 54.265 52.037 -0.013 0.000 0.623 364 A CB -0.800 18.185 19.000 -0.025 0.000 0.818 364 A HN 0.232 nan 8.150 nan 0.000 0.443 365 A N -0.192 122.622 122.820 -0.011 0.000 1.883 365 A HA -0.114 4.206 4.320 0.001 0.000 0.217 365 A C 2.177 179.771 177.584 0.016 0.000 1.186 365 A CA 1.674 53.709 52.037 -0.002 0.000 0.624 365 A CB -0.665 18.340 19.000 0.008 0.000 0.822 365 A HN 0.481 nan 8.150 nan 0.000 0.444 366 L N -0.991 120.243 121.223 0.018 0.000 2.093 366 L HA -0.159 4.182 4.340 0.001 0.000 0.208 366 L C 2.611 179.499 176.870 0.029 0.000 1.085 366 L CA 1.754 56.608 54.840 0.023 0.000 0.755 366 L CB -0.340 41.728 42.059 0.015 0.000 0.904 366 L HN 0.415 nan 8.230 nan 0.000 0.435 367 K N 0.115 120.530 120.400 0.024 0.000 2.057 367 K HA -0.219 4.102 4.320 0.001 0.000 0.207 367 K C 2.126 178.750 176.600 0.040 0.000 1.049 367 K CA 1.240 57.546 56.287 0.032 0.000 0.931 367 K CB -0.061 32.453 32.500 0.022 0.000 0.714 367 K HN 0.067 nan 8.250 nan 0.000 0.440 368 L N 0.839 122.075 121.223 0.022 0.000 2.046 368 L HA -0.078 4.263 4.340 0.001 0.000 0.208 368 L C 2.120 179.036 176.870 0.076 0.000 1.077 368 L CA 2.053 56.903 54.840 0.017 0.000 0.747 368 L CB -0.752 41.291 42.059 -0.026 0.000 0.896 368 L HN 0.175 nan 8.230 nan 0.000 0.432 369 A N -0.458 122.418 122.820 0.094 0.000 1.902 369 A HA -0.265 4.055 4.320 0.001 0.000 0.217 369 A C 2.198 179.909 177.584 0.211 0.000 1.181 369 A CA 1.818 53.953 52.037 0.163 0.000 0.623 369 A CB -1.012 18.055 19.000 0.113 0.000 0.818 369 A HN 0.626 nan 8.150 nan 0.000 0.443 370 N N -0.091 118.688 118.700 0.131 0.000 2.166 370 N HA -0.076 4.664 4.740 0.001 0.000 0.186 370 N C 1.509 177.152 175.510 0.222 0.000 1.019 370 N CA 1.443 54.579 53.050 0.144 0.000 0.856 370 N CB -0.379 38.160 38.487 0.086 0.000 0.993 370 N HN 0.461 nan 8.380 nan 0.000 0.426 371 L N -0.057 121.278 121.223 0.187 0.000 2.141 371 L HA -0.081 4.260 4.340 0.001 0.000 0.209 371 L C 2.079 179.111 176.870 0.271 0.000 1.094 371 L CA 0.605 55.579 54.840 0.223 0.000 0.763 371 L CB -0.322 41.805 42.059 0.114 0.000 0.908 371 L HN 0.262 nan 8.230 nan 0.000 0.437 372 L N -1.667 119.691 121.223 0.226 0.000 2.131 372 L HA -0.231 4.110 4.340 0.001 0.000 0.210 372 L C 1.853 178.775 176.870 0.087 0.000 1.092 372 L CA 1.201 56.143 54.840 0.171 0.000 0.759 372 L CB -0.354 41.805 42.059 0.168 0.000 0.903 372 L HN 0.236 nan 8.230 nan 0.000 0.435 373 Y N -0.558 119.832 120.300 0.150 0.000 2.490 373 Y HA 0.052 4.603 4.550 0.001 0.000 0.281 373 Y C 1.727 177.768 175.900 0.236 0.000 1.174 373 Y CA -0.448 57.780 58.100 0.214 0.000 1.295 373 Y CB -0.249 38.336 38.460 0.208 0.000 1.062 373 Y HN 0.102 nan 8.280 nan 0.000 0.522 374 S N -0.576 115.289 115.700 0.276 0.000 2.603 374 S HA 0.006 4.477 4.470 0.001 0.000 0.268 374 S C 1.366 175.966 174.600 0.001 0.000 1.317 374 S CA -0.462 57.844 58.200 0.177 0.000 1.012 374 S CB 1.458 64.783 63.200 0.209 0.000 0.926 374 S HN 0.506 nan 8.310 nan 0.000 0.539 375 E N 1.384 121.548 120.200 -0.061 0.000 2.077 375 E HA -0.242 4.108 4.350 0.001 0.000 0.193 375 E C 1.951 178.485 176.600 -0.110 0.000 0.989 375 E CA 1.493 57.809 56.400 -0.139 0.000 0.800 375 E CB -0.200 29.482 29.700 -0.029 0.000 0.746 375 E HN 0.820 nan 8.360 nan 0.000 0.452 376 K N -0.526 119.824 120.400 -0.084 0.000 2.044 376 K HA -0.218 4.103 4.320 0.001 0.000 0.210 376 K C 1.753 178.084 176.600 -0.448 0.000 1.049 376 K CA 1.919 58.088 56.287 -0.196 0.000 0.927 376 K CB -0.249 32.048 32.500 -0.339 0.000 0.713 376 K HN 0.196 nan 8.250 nan 0.000 0.443 377 Y N 0.252 120.496 120.300 -0.093 0.000 2.490 377 Y HA 0.111 4.662 4.550 0.001 0.000 0.285 377 Y C 2.433 178.110 175.900 -0.371 0.000 1.117 377 Y CA 0.545 58.521 58.100 -0.206 0.000 1.262 377 Y CB 0.120 38.558 38.460 -0.037 0.000 1.043 377 Y HN 0.073 nan 8.280 nan 0.000 0.553 378 S N -0.533 115.042 115.700 -0.209 0.000 2.371 378 S HA -0.124 4.347 4.470 0.001 0.000 0.224 378 S C 2.224 176.628 174.600 -0.327 0.000 1.029 378 S CA 1.237 59.255 58.200 -0.304 0.000 0.978 378 S CB -0.527 62.465 63.200 -0.346 0.000 0.833 378 S HN 0.201 nan 8.310 nan 0.000 0.466 379 V N 2.051 121.764 119.914 -0.335 0.000 2.343 379 V HA -0.212 3.909 4.120 0.001 0.000 0.247 379 V C 2.443 178.320 176.094 -0.362 0.000 1.051 379 V CA 1.644 63.746 62.300 -0.330 0.000 1.036 379 V CB -0.685 30.820 31.823 -0.530 0.000 0.654 379 V HN 0.487 nan 8.190 nan 0.000 0.451 380 Q N -0.745 118.712 119.800 -0.571 0.000 2.119 380 Q HA -0.220 4.121 4.340 0.001 0.000 0.201 380 Q C 2.397 177.784 176.000 -1.022 0.000 0.972 380 Q CA 1.380 56.711 55.803 -0.785 0.000 0.847 380 Q CB -0.164 28.044 28.738 -0.883 0.000 0.903 380 Q HN 0.680 nan 8.270 nan 0.000 0.433 381 Q N -0.312 118.817 119.800 -1.118 0.000 2.096 381 Q HA -0.198 4.143 4.340 0.001 0.000 0.204 381 Q C 1.854 177.682 176.000 -0.286 0.000 0.982 381 Q CA 1.331 56.579 55.803 -0.925 0.000 0.850 381 Q CB -0.149 28.205 28.738 -0.640 0.000 0.901 381 Q HN 0.277 nan 8.270 nan 0.000 0.422 382 F N 0.255 119.991 119.950 -0.357 0.000 2.113 382 F HA -0.074 4.454 4.527 0.001 0.000 0.297 382 F C 1.475 177.255 175.800 -0.032 0.000 1.103 382 F CA 1.257 59.157 58.000 -0.167 0.000 1.248 382 F CB 0.144 39.043 39.000 -0.167 0.000 0.999 382 F HN -0.059 nan 8.300 nan 0.000 0.475 383 L N -0.638 120.488 121.223 -0.163 0.000 3.016 383 L HA 0.408 4.749 4.340 0.001 0.000 0.267 383 L C 0.432 177.147 176.870 -0.257 0.000 1.182 383 L CA 0.149 54.849 54.840 -0.234 0.000 0.997 383 L CB 0.091 42.054 42.059 -0.159 0.000 1.354 383 L HN 0.286 nan 8.230 nan 0.000 0.569 384 G N -0.273 108.376 108.800 -0.253 0.000 2.712 384 G HA2 -0.198 3.762 3.960 0.001 0.000 0.683 384 G HA3 -0.198 3.762 3.960 0.001 0.000 0.683 384 G C -0.366 174.453 174.900 -0.135 0.000 1.320 384 G CA -0.638 44.363 45.100 -0.164 0.000 0.847 384 G HN 0.004 nan 8.290 nan 0.000 0.553 385 S N 0.243 115.981 115.700 0.064 0.000 2.558 385 S HA 0.423 4.894 4.470 0.001 0.000 0.288 385 S C 0.532 175.126 174.600 -0.011 0.000 1.318 385 S CA -0.130 58.082 58.200 0.021 0.000 1.056 385 S CB 0.115 63.384 63.200 0.116 0.000 0.853 385 S HN 0.581 nan 8.310 nan 0.000 0.505 386 F N 1.736 121.725 119.950 0.065 0.000 2.607 386 F HA 0.366 4.894 4.527 0.001 0.000 0.374 386 F C 1.796 177.619 175.800 0.038 0.000 1.104 386 F CA 0.557 58.585 58.000 0.047 0.000 1.296 386 F CB -0.783 38.248 39.000 0.052 0.000 1.085 386 F HN 0.833 nan 8.300 nan 0.000 0.584 387 G N 1.359 110.298 108.800 0.232 0.000 2.253 387 G HA2 -0.389 3.572 3.960 0.001 0.000 0.251 387 G HA3 -0.389 3.572 3.960 0.001 0.000 0.251 387 G C 1.203 176.146 174.900 0.073 0.000 0.998 387 G CA 0.646 45.818 45.100 0.120 0.000 0.621 387 G HN 0.651 nan 8.290 nan 0.000 0.524 388 K N 0.803 121.242 120.400 0.066 0.000 2.103 388 K HA 0.681 5.001 4.320 0.001 0.000 0.215 388 K C 2.447 179.046 176.600 -0.003 0.000 1.027 388 K CA 1.957 58.253 56.287 0.015 0.000 0.953 388 K CB -0.601 31.894 32.500 -0.008 0.000 0.904 388 K HN 0.735 nan 8.250 nan 0.000 0.454 389 A N 0.059 122.863 122.820 -0.027 0.000 2.390 389 A HA 0.378 4.698 4.320 0.001 0.000 0.232 389 A C 0.314 177.900 177.584 0.004 0.000 1.233 389 A CA -0.277 51.737 52.037 -0.037 0.000 0.907 389 A CB -0.093 18.842 19.000 -0.109 0.000 0.967 389 A HN 0.375 nan 8.150 nan 0.000 0.512 390 I N 0.768 121.372 120.570 0.057 0.000 2.619 390 I HA 0.470 4.641 4.170 0.001 0.000 0.292 390 I C -0.888 175.350 176.117 0.201 0.000 1.100 390 I CA -0.468 60.909 61.300 0.127 0.000 1.043 390 I CB 2.400 40.481 38.000 0.135 0.000 1.239 390 I HN 0.139 nan 8.210 nan 0.000 0.420 391 T N 3.009 117.657 114.554 0.157 0.000 2.841 391 T HA 0.391 4.742 4.350 0.001 0.000 0.283 391 T C -0.628 174.077 174.700 0.009 0.000 1.000 391 T CA -0.861 61.288 62.100 0.083 0.000 0.977 391 T CB 1.688 70.571 68.868 0.024 0.000 0.979 391 T HN 0.629 nan 8.240 nan 0.000 0.446 392 K N 2.468 122.735 120.400 -0.221 0.000 2.310 392 K HA 0.226 4.546 4.320 0.001 0.000 0.290 392 K C 1.172 177.569 176.600 -0.338 0.000 1.077 392 K CA -0.184 55.842 56.287 -0.436 0.000 0.922 392 K CB 0.328 32.333 32.500 -0.825 0.000 1.057 392 K HN 0.894 nan 8.250 nan 0.000 0.479 393 T N 0.104 114.469 114.554 -0.316 0.000 3.044 393 T HA 0.258 4.609 4.350 0.001 0.000 0.250 393 T C 0.716 175.273 174.700 -0.238 0.000 1.081 393 T CA 0.034 62.004 62.100 -0.217 0.000 1.040 393 T CB 0.489 69.273 68.868 -0.139 0.000 0.962 393 T HN 0.536 nan 8.240 nan 0.000 0.506 394 G N -0.095 108.497 108.800 -0.346 0.000 2.600 394 G HA2 0.410 4.371 3.960 0.001 0.000 0.293 394 G HA3 0.410 4.371 3.960 0.001 0.000 0.293 394 G C -0.043 174.611 174.900 -0.409 0.000 1.408 394 G CA -0.224 44.697 45.100 -0.299 0.000 0.782 394 G HN -0.005 nan 8.290 nan 0.000 0.482 395 E N -0.974 119.014 120.200 -0.353 0.000 2.130 395 E HA -0.184 4.166 4.350 0.001 0.000 0.196 395 E C 0.397 176.544 176.600 -0.756 0.000 0.998 395 E CA 1.290 57.380 56.400 -0.517 0.000 0.806 395 E CB -0.023 29.377 29.700 -0.500 0.000 0.738 395 E HN 0.482 nan 8.360 nan 0.000 0.459 396 H N -0.747 118.183 119.070 -0.234 0.000 2.637 396 H HA 0.351 4.907 4.556 0.001 0.000 0.245 396 H C -0.705 174.436 175.328 -0.312 0.000 1.190 396 H CA -0.121 55.822 56.048 -0.174 0.000 0.934 396 H CB 0.540 30.280 29.762 -0.035 0.000 1.950 396 H HN 0.019 nan 8.280 nan 0.000 0.614 397 E N 0.747 120.551 120.200 -0.659 0.000 2.272 397 E HA 0.473 4.824 4.350 0.001 0.000 0.269 397 E C -1.291 174.815 176.600 -0.824 0.000 0.877 397 E CA -0.550 55.550 56.400 -0.501 0.000 0.755 397 E CB 2.129 31.691 29.700 -0.230 0.000 1.192 397 E HN 0.118 nan 8.360 nan 0.000 0.422 398 Y N -0.114 120.184 120.300 -0.005 0.000 2.534 398 Y HA 0.616 5.167 4.550 0.001 0.000 0.345 398 Y C -0.281 175.633 175.900 0.023 0.000 1.031 398 Y CA -1.052 57.048 58.100 0.001 0.000 1.022 398 Y CB 2.563 41.057 38.460 0.057 0.000 1.292 398 Y HN 0.229 nan 8.280 nan 0.000 0.459 399 T N 2.480 117.128 114.554 0.157 0.000 2.812 399 T HA 0.506 4.857 4.350 0.001 0.000 0.282 399 T C -0.751 174.014 174.700 0.109 0.000 0.990 399 T CA -0.670 61.494 62.100 0.107 0.000 0.960 399 T CB 1.217 70.116 68.868 0.052 0.000 0.948 399 T HN 0.338 nan 8.240 nan 0.000 0.438 400 V N 3.258 123.231 119.914 0.097 0.000 2.546 400 V HA 0.288 4.408 4.120 0.001 0.000 0.284 400 V C 0.287 176.410 176.094 0.048 0.000 1.050 400 V CA -0.676 61.666 62.300 0.069 0.000 0.981 400 V CB 1.425 33.287 31.823 0.065 0.000 0.990 400 V HN 0.815 nan 8.190 nan 0.000 0.474 401 D N 3.947 124.365 120.400 0.031 0.000 2.428 401 D HA 0.147 4.787 4.640 0.001 0.000 0.221 401 D C 0.845 177.152 176.300 0.012 0.000 1.123 401 D CA -0.086 53.926 54.000 0.020 0.000 0.869 401 D CB 0.669 41.477 40.800 0.014 0.000 1.032 401 D HN 0.435 nan 8.370 nan 0.000 0.506 402 N N 3.018 121.731 118.700 0.022 0.000 2.188 402 N HA -0.135 4.606 4.740 0.001 0.000 0.184 402 N C 0.640 176.159 175.510 0.016 0.000 1.018 402 N CA 0.716 53.781 53.050 0.024 0.000 0.858 402 N CB 0.256 38.765 38.487 0.037 0.000 0.989 402 N HN 0.506 nan 8.380 nan 0.000 0.426 403 D N 1.147 121.555 120.400 0.013 0.000 2.116 403 D HA -0.157 4.484 4.640 0.001 0.000 0.193 403 D C 1.912 178.212 176.300 -0.001 0.000 0.998 403 D CA 1.082 55.087 54.000 0.008 0.000 0.836 403 D CB -0.081 40.723 40.800 0.007 0.000 0.951 403 D HN 0.103 nan 8.370 nan 0.000 0.449 404 K N 0.153 120.549 120.400 -0.007 0.000 2.025 404 K HA -0.068 4.253 4.320 0.001 0.000 0.207 404 K C 2.134 178.711 176.600 -0.038 0.000 1.049 404 K CA 0.284 56.559 56.287 -0.022 0.000 0.933 404 K CB -0.584 31.902 32.500 -0.023 0.000 0.714 404 K HN 0.115 nan 8.250 nan 0.000 0.438 405 L N 1.221 122.419 121.223 -0.041 0.000 2.083 405 L HA -0.120 4.221 4.340 0.001 0.000 0.209 405 L C 2.183 179.051 176.870 -0.003 0.000 1.083 405 L CA 1.572 56.376 54.840 -0.059 0.000 0.752 405 L CB -0.601 41.432 42.059 -0.044 0.000 0.899 405 L HN 0.037 nan 8.230 nan 0.000 0.433 406 S N -1.238 114.468 115.700 0.010 0.000 2.368 406 S HA -0.212 4.258 4.470 0.001 0.000 0.224 406 S C 1.845 176.450 174.600 0.008 0.000 1.029 406 S CA 1.102 59.312 58.200 0.016 0.000 0.988 406 S CB -0.238 62.970 63.200 0.014 0.000 0.838 406 S HN 0.519 nan 8.310 nan 0.000 0.462 407 Q N 0.761 120.560 119.800 -0.002 0.000 2.050 407 Q HA -0.098 4.242 4.340 0.001 0.000 0.202 407 Q C 2.180 178.174 176.000 -0.009 0.000 0.980 407 Q CA 1.206 57.005 55.803 -0.007 0.000 0.840 407 Q CB -0.281 28.450 28.738 -0.011 0.000 0.898 407 Q HN 0.484 nan 8.270 nan 0.000 0.424 408 L N -0.006 121.204 121.223 -0.022 0.000 2.012 408 L HA -0.218 4.122 4.340 0.001 0.000 0.210 408 L C 2.576 179.455 176.870 0.014 0.000 1.073 408 L CA 1.748 56.570 54.840 -0.029 0.000 0.748 408 L CB -0.775 41.229 42.059 -0.091 0.000 0.891 408 L HN 0.252 nan 8.230 nan 0.000 0.431 409 T N -0.346 114.244 114.554 0.059 0.000 2.684 409 T HA -0.177 4.174 4.350 0.001 0.000 0.267 409 T C 1.831 176.549 174.700 0.029 0.000 1.036 409 T CA 1.472 63.629 62.100 0.095 0.000 1.148 409 T CB -0.744 68.185 68.868 0.102 0.000 0.863 409 T HN 0.584 nan 8.240 nan 0.000 0.436 410 G N 1.487 110.294 108.800 0.012 0.000 2.442 410 G HA2 -0.211 3.749 3.960 0.001 0.000 0.219 410 G HA3 -0.211 3.749 3.960 0.001 0.000 0.219 410 G C 1.095 175.993 174.900 -0.004 0.000 1.141 410 G CA 0.887 45.986 45.100 -0.002 0.000 0.763 410 G HN 0.394 nan 8.290 nan 0.000 0.554 411 D N 0.940 121.339 120.400 -0.002 0.000 2.324 411 D HA 0.048 4.689 4.640 0.001 0.000 0.235 411 D C 0.684 176.981 176.300 -0.005 0.000 1.095 411 D CA -0.079 53.917 54.000 -0.006 0.000 0.871 411 D CB -0.163 40.630 40.800 -0.011 0.000 0.906 411 D HN 0.126 nan 8.370 nan 0.000 0.522 412 N N 0.828 119.528 118.700 0.001 0.000 2.721 412 N HA -0.222 4.519 4.740 0.001 0.000 0.249 412 N C -0.331 175.183 175.510 0.008 0.000 1.072 412 N CA 0.543 53.594 53.050 0.003 0.000 0.710 412 N CB -1.177 37.305 38.487 -0.010 0.000 0.993 412 N HN 0.492 nan 8.380 nan 0.000 0.547 413 Q N -0.470 119.340 119.800 0.016 0.000 2.217 413 Q HA 0.136 4.476 4.340 0.001 0.000 0.340 413 Q C -0.672 175.331 176.000 0.005 0.000 0.893 413 Q CA -0.412 55.391 55.803 -0.000 0.000 1.142 413 Q CB 0.470 29.192 28.738 -0.026 0.000 1.288 413 Q HN 0.369 nan 8.270 nan 0.000 0.426 414 Y N 3.106 123.370 120.300 -0.060 0.000 2.721 414 Y HA -0.005 4.546 4.550 0.001 0.000 0.329 414 Y C -1.497 174.375 175.900 -0.047 0.000 1.211 414 Y CA -0.985 57.076 58.100 -0.066 0.000 1.512 414 Y CB 0.881 39.290 38.460 -0.086 0.000 1.249 414 Y HN 0.207 nan 8.280 nan 0.000 0.549 415 P HA 0.169 nan 4.420 nan 0.000 0.253 415 P C 0.050 177.357 177.300 0.013 0.000 1.260 415 P CA 0.780 63.758 63.100 -0.202 0.000 0.800 415 P CB 0.452 32.008 31.700 -0.239 0.000 1.162 416 G N -0.731 108.123 108.800 0.089 0.000 2.911 416 G HA2 0.407 4.367 3.960 0.001 0.000 0.299 416 G HA3 0.407 4.367 3.960 0.001 0.000 0.299 416 G C -0.066 175.031 174.900 0.329 0.000 1.283 416 G CA -0.515 44.759 45.100 0.289 0.000 0.805 416 G HN -0.006 nan 8.290 nan 0.000 0.548 417 L N 0.156 121.499 121.223 0.201 0.000 2.529 417 L HA 0.207 4.548 4.340 0.001 0.000 0.223 417 L C 1.801 178.686 176.870 0.025 0.000 1.113 417 L CA 0.895 55.795 54.840 0.100 0.000 0.861 417 L CB 0.150 42.252 42.059 0.071 0.000 1.012 417 L HN 0.782 nan 8.230 nan 0.000 0.461 418 S N 1.029 116.769 115.700 0.068 0.000 3.949 418 S HA -0.343 4.128 4.470 0.001 0.000 0.626 418 S C 1.638 176.319 174.600 0.135 0.000 2.168 418 S CA 1.710 59.860 58.200 -0.082 0.000 4.124 418 S CB -1.067 61.807 63.200 -0.543 0.000 0.220 418 S HN 0.691 nan 8.310 nan 0.000 0.750 419 E N 2.024 122.233 120.200 0.014 0.000 2.409 419 E HA -0.082 4.268 4.350 0.001 0.000 0.198 419 E C 1.655 178.258 176.600 0.005 0.000 1.024 419 E CA 1.379 57.806 56.400 0.046 0.000 0.861 419 E CB -0.497 29.186 29.700 -0.029 0.000 0.788 419 E HN 0.722 nan 8.360 nan 0.000 0.521 420 L N 2.152 123.368 121.223 -0.012 0.000 2.653 420 L HA 0.233 4.574 4.340 0.001 0.000 0.232 420 L C 1.031 177.900 176.870 -0.002 0.000 1.169 420 L CA -0.443 54.390 54.840 -0.012 0.000 0.951 420 L CB -0.335 41.707 42.059 -0.028 0.000 1.181 420 L HN 0.160 nan 8.230 nan 0.000 0.460 421 L N -1.483 119.737 121.223 -0.005 0.000 2.461 421 L HA 0.342 4.683 4.340 0.001 0.000 0.272 421 L C -0.328 176.488 176.870 -0.091 0.000 1.197 421 L CA -0.153 54.652 54.840 -0.058 0.000 0.836 421 L CB 0.816 42.822 42.059 -0.088 0.000 1.105 421 L HN -0.255 nan 8.230 nan 0.000 0.477 422 V N 3.929 123.766 119.914 -0.128 0.000 2.325 422 V HA 0.877 4.997 4.120 0.001 0.000 0.280 422 V C 0.520 176.301 176.094 -0.522 0.000 1.016 422 V CA 0.456 62.657 62.300 -0.166 0.000 0.818 422 V CB 0.165 31.995 31.823 0.012 0.000 1.019 422 V HN 1.270 nan 8.190 nan 0.000 0.434 423 G N 3.941 112.198 108.800 -0.906 0.000 2.351 423 G HA2 0.398 4.359 3.960 0.001 0.000 0.279 423 G HA3 0.398 4.359 3.960 0.001 0.000 0.279 423 G C -2.143 172.340 174.900 -0.696 0.000 1.297 423 G CA -0.113 44.263 45.100 -1.207 0.000 0.886 423 G HN 1.027 nan 8.290 nan 0.000 0.493 424 W N -0.169 120.696 121.300 -0.725 0.000 3.372 424 W HA 0.662 5.322 4.660 0.001 0.000 0.315 424 W C -1.773 174.526 176.519 -0.365 0.000 1.223 424 W CA -1.677 55.267 57.345 -0.669 0.000 1.202 424 W CB 0.477 29.187 29.460 -1.250 0.000 1.367 424 W HN 0.508 nan 8.180 nan 0.000 0.531 425 I N 5.517 125.858 120.570 -0.382 0.000 2.297 425 I HA 0.223 4.394 4.170 0.001 0.000 0.291 425 I C -1.660 174.195 176.117 -0.436 0.000 1.033 425 I CA -2.597 58.442 61.300 -0.435 0.000 1.253 425 I CB 0.647 38.475 38.000 -0.287 0.000 1.396 425 I HN 0.043 nan 8.210 nan 0.000 0.476 426 P HA 0.167 nan 4.420 nan 0.000 0.274 426 P C 0.046 177.244 177.300 -0.169 0.000 1.237 426 P CA -0.229 62.447 63.100 -0.706 0.000 0.793 426 P CB 1.446 32.623 31.700 -0.873 0.000 0.977 427 D N 0.571 120.984 120.400 0.022 0.000 2.218 427 D HA -0.151 4.489 4.640 0.001 0.000 0.204 427 D C 1.675 177.977 176.300 0.003 0.000 0.976 427 D CA 1.141 55.176 54.000 0.059 0.000 0.853 427 D CB -0.101 40.767 40.800 0.114 0.000 0.939 427 D HN 0.563 nan 8.370 nan 0.000 0.481 428 E N 0.693 120.854 120.200 -0.066 0.000 2.418 428 E HA -0.008 4.343 4.350 0.001 0.000 0.197 428 E C 0.506 177.065 176.600 -0.068 0.000 1.026 428 E CA 0.130 56.454 56.400 -0.128 0.000 0.862 428 E CB -0.148 29.367 29.700 -0.308 0.000 0.799 428 E HN 0.056 nan 8.360 nan 0.000 0.518 429 A N 1.311 124.129 122.820 -0.003 0.000 2.366 429 A HA 0.378 4.698 4.320 0.001 0.000 0.272 429 A C -0.250 177.420 177.584 0.144 0.000 1.135 429 A CA -0.262 51.861 52.037 0.143 0.000 0.804 429 A CB 0.466 19.555 19.000 0.149 0.000 1.064 429 A HN 0.073 nan 8.150 nan 0.000 0.499 430 T N 3.587 118.252 114.554 0.184 0.000 2.791 430 T HA 0.507 4.858 4.350 0.001 0.000 0.288 430 T C -0.308 174.526 174.700 0.224 0.000 0.999 430 T CA 0.118 62.308 62.100 0.150 0.000 0.952 430 T CB 0.255 69.174 68.868 0.086 0.000 0.938 430 T HN 0.447 nan 8.240 nan 0.000 0.444 431 I N 3.358 124.056 120.570 0.213 0.000 2.330 431 I HA 0.394 4.565 4.170 0.001 0.000 0.289 431 I C 0.265 176.480 176.117 0.164 0.000 1.001 431 I CA -0.803 60.639 61.300 0.236 0.000 1.193 431 I CB 1.437 39.582 38.000 0.242 0.000 1.345 431 I HN 0.336 nan 8.210 nan 0.000 0.461 432 K N 5.063 125.548 120.400 0.142 0.000 2.156 432 K HA 0.530 4.850 4.320 0.001 0.000 0.271 432 K C 0.808 177.469 176.600 0.102 0.000 0.995 432 K CA 0.166 56.514 56.287 0.101 0.000 0.890 432 K CB 1.163 33.706 32.500 0.072 0.000 1.073 432 K HN 0.845 nan 8.250 nan 0.000 0.454 433 G N 2.984 111.839 108.800 0.091 0.000 2.157 433 G HA2 -0.219 3.742 3.960 0.001 0.000 0.248 433 G HA3 -0.219 3.742 3.960 0.001 0.000 0.248 433 G C -0.295 174.666 174.900 0.103 0.000 0.979 433 G CA 0.222 45.373 45.100 0.085 0.000 0.650 433 G HN 0.763 nan 8.290 nan 0.000 0.529 434 D N 1.694 122.174 120.400 0.133 0.000 2.416 434 D HA 0.371 5.012 4.640 0.001 0.000 0.240 434 D C 2.043 178.451 176.300 0.180 0.000 1.250 434 D CA 0.659 54.762 54.000 0.172 0.000 0.967 434 D CB 0.229 41.181 40.800 0.253 0.000 1.059 434 D HN 0.355 nan 8.370 nan 0.000 0.512 435 T N 0.988 115.643 114.554 0.168 0.000 2.833 435 T HA -0.265 4.085 4.350 0.001 0.000 0.269 435 T C 1.806 176.658 174.700 0.254 0.000 1.054 435 T CA 1.312 63.514 62.100 0.171 0.000 1.135 435 T CB -0.440 68.514 68.868 0.145 0.000 0.869 435 T HN 0.457 nan 8.240 nan 0.000 0.466 436 H N 1.853 121.046 119.070 0.205 0.000 2.387 436 H HA 0.219 4.776 4.556 0.001 0.000 0.299 436 H C 2.334 177.901 175.328 0.398 0.000 1.090 436 H CA 1.495 57.741 56.048 0.331 0.000 1.332 436 H CB -0.655 29.266 29.762 0.265 0.000 1.386 436 H HN 0.519 nan 8.280 nan 0.000 0.516 437 A N 0.128 123.071 122.820 0.204 0.000 1.874 437 A HA -0.090 4.231 4.320 0.001 0.000 0.214 437 A C 2.085 179.627 177.584 -0.070 0.000 1.189 437 A CA 1.324 53.262 52.037 -0.165 0.000 0.615 437 A CB -0.295 18.598 19.000 -0.178 0.000 0.830 437 A HN 0.437 nan 8.150 nan 0.000 0.443 438 D N 0.261 120.679 120.400 0.030 0.000 2.133 438 D HA -0.174 4.466 4.640 0.001 0.000 0.195 438 D C 1.833 178.138 176.300 0.009 0.000 0.997 438 D CA 1.748 55.763 54.000 0.024 0.000 0.840 438 D CB -0.435 40.397 40.800 0.054 0.000 0.947 438 D HN 0.673 nan 8.370 nan 0.000 0.452 439 E N -0.238 119.994 120.200 0.053 0.000 2.150 439 E HA -0.115 4.235 4.350 0.001 0.000 0.193 439 E C 2.004 178.540 176.600 -0.107 0.000 0.985 439 E CA 0.147 56.564 56.400 0.029 0.000 0.814 439 E CB -0.031 29.758 29.700 0.147 0.000 0.752 439 E HN 0.108 nan 8.360 nan 0.000 0.466 440 L N 1.066 122.202 121.223 -0.145 0.000 2.017 440 L HA -0.172 4.169 4.340 0.001 0.000 0.208 440 L C 2.017 178.750 176.870 -0.229 0.000 1.073 440 L CA 1.457 56.086 54.840 -0.352 0.000 0.745 440 L CB -0.309 41.545 42.059 -0.342 0.000 0.894 440 L HN 0.137 nan 8.230 nan 0.000 0.432 441 I N -0.238 120.246 120.570 -0.142 0.000 2.151 441 I HA -0.326 3.845 4.170 0.001 0.000 0.243 441 I C 2.558 178.629 176.117 -0.078 0.000 1.080 441 I CA 1.776 63.025 61.300 -0.086 0.000 1.339 441 I CB -0.995 36.971 38.000 -0.056 0.000 1.039 441 I HN 0.426 nan 8.210 nan 0.000 0.409 442 E N 0.905 121.056 120.200 -0.082 0.000 2.051 442 E HA -0.179 4.171 4.350 0.001 0.000 0.192 442 E C 2.167 178.705 176.600 -0.104 0.000 0.991 442 E CA 1.984 58.339 56.400 -0.076 0.000 0.799 442 E CB -0.089 29.578 29.700 -0.056 0.000 0.748 442 E HN 0.411 nan 8.360 nan 0.000 0.449 443 V N -0.490 119.325 119.914 -0.165 0.000 2.515 443 V HA -0.147 3.973 4.120 0.001 0.000 0.250 443 V C 1.681 177.745 176.094 -0.051 0.000 1.058 443 V CA 1.905 64.091 62.300 -0.191 0.000 1.064 443 V CB -0.642 30.924 31.823 -0.430 0.000 0.675 443 V HN 0.154 nan 8.190 nan 0.000 0.461 444 N N 0.981 119.662 118.700 -0.032 0.000 2.396 444 N HA -0.063 4.678 4.740 0.001 0.000 0.180 444 N C 1.733 177.296 175.510 0.088 0.000 1.028 444 N CA 1.361 54.496 53.050 0.142 0.000 0.893 444 N CB -0.341 38.209 38.487 0.105 0.000 0.967 444 N HN 0.604 nan 8.380 nan 0.000 0.440 445 K N 0.336 120.729 120.400 -0.011 0.000 2.103 445 K HA -0.055 4.265 4.320 0.001 0.000 0.207 445 K C 1.757 178.288 176.600 -0.114 0.000 1.048 445 K CA 0.786 57.044 56.287 -0.049 0.000 0.930 445 K CB -0.028 32.434 32.500 -0.064 0.000 0.716 445 K HN -0.025 nan 8.250 nan 0.000 0.444 446 V N 0.296 120.081 119.914 -0.215 0.000 2.594 446 V HA -0.217 3.904 4.120 0.001 0.000 0.253 446 V C 1.307 177.044 176.094 -0.595 0.000 1.069 446 V CA 1.578 63.607 62.300 -0.452 0.000 1.082 446 V CB -0.502 30.927 31.823 -0.657 0.000 0.680 446 V HN 0.272 nan 8.190 nan 0.000 0.469 447 Y N -0.682 119.570 120.300 -0.081 0.000 2.457 447 Y HA 0.186 4.737 4.550 0.001 0.000 0.263 447 Y C 2.273 178.160 175.900 -0.022 0.000 1.164 447 Y CA -0.381 57.680 58.100 -0.065 0.000 1.274 447 Y CB -0.110 38.349 38.460 -0.003 0.000 1.097 447 Y HN 0.250 nan 8.280 nan 0.000 0.523 448 E N 0.623 120.846 120.200 0.037 0.000 2.058 448 E HA -0.278 4.073 4.350 0.001 0.000 0.194 448 E C 1.799 178.357 176.600 -0.070 0.000 0.997 448 E CA 1.658 58.057 56.400 -0.002 0.000 0.801 448 E CB 0.123 29.810 29.700 -0.022 0.000 0.746 448 E HN 0.430 nan 8.360 nan 0.000 0.450 449 E N 1.273 121.407 120.200 -0.110 0.000 2.023 449 E HA -0.227 4.124 4.350 0.001 0.000 0.196 449 E C 2.022 178.326 176.600 -0.495 0.000 1.003 449 E CA 1.755 58.032 56.400 -0.205 0.000 0.809 449 E CB -0.158 29.463 29.700 -0.131 0.000 0.755 449 E HN 0.206 nan 8.360 nan 0.000 0.449 450 Q N -0.352 119.249 119.800 -0.331 0.000 2.135 450 Q HA -0.136 4.205 4.340 0.001 0.000 0.204 450 Q C 2.430 178.393 176.000 -0.063 0.000 0.981 450 Q CA 1.522 57.154 55.803 -0.286 0.000 0.856 450 Q CB -0.160 28.658 28.738 0.134 0.000 0.902 450 Q HN 0.191 nan 8.270 nan 0.000 0.425 451 R N 0.301 120.847 120.500 0.078 0.000 2.120 451 R HA -0.095 4.245 4.340 0.001 0.000 0.234 451 R C 2.466 178.609 176.300 -0.262 0.000 1.123 451 R CA 1.399 57.561 56.100 0.104 0.000 0.975 451 R CB -0.171 30.212 30.300 0.139 0.000 0.866 451 R HN 0.244 nan 8.270 nan 0.000 0.446 452 S N -0.582 114.982 115.700 -0.227 0.000 2.547 452 S HA -0.116 4.355 4.470 0.001 0.000 0.235 452 S C 1.081 175.656 174.600 -0.042 0.000 0.980 452 S CA 0.765 58.849 58.200 -0.193 0.000 0.941 452 S CB -0.396 62.742 63.200 -0.103 0.000 0.763 452 S HN 0.510 nan 8.310 nan 0.000 0.532 453 H N 0.365 119.426 119.070 -0.014 0.000 2.539 453 H HA 0.313 4.870 4.556 0.001 0.000 0.267 453 H C -0.014 175.405 175.328 0.150 0.000 0.982 453 H CA -0.163 55.926 56.048 0.069 0.000 1.146 453 H CB 0.054 29.888 29.762 0.120 0.000 1.382 453 H HN 0.707 nan 8.280 nan 0.000 0.577 454 F N -1.455 118.574 119.950 0.132 0.000 2.588 454 F HA 0.355 4.883 4.527 0.001 0.000 0.314 454 F C -0.913 174.933 175.800 0.077 0.000 1.069 454 F CA -1.718 56.338 58.000 0.094 0.000 0.931 454 F CB 1.243 40.290 39.000 0.077 0.000 1.260 454 F HN -0.269 nan 8.300 nan 0.000 0.465 455 D N 3.811 124.356 120.400 0.242 0.000 2.317 455 D HA 0.223 4.863 4.640 0.001 0.000 0.252 455 D C -1.782 174.698 176.300 0.299 0.000 1.174 455 D CA -2.021 52.072 54.000 0.154 0.000 0.866 455 D CB 1.893 42.794 40.800 0.169 0.000 1.127 455 D HN 0.339 nan 8.370 nan 0.000 0.467 456 P HA -0.066 nan 4.420 nan 0.000 0.234 456 P C 1.162 178.674 177.300 0.354 0.000 1.167 456 P CA 0.329 63.598 63.100 0.283 0.000 0.763 456 P CB 0.659 32.401 31.700 0.070 0.000 0.835 457 V N -0.231 119.854 119.914 0.285 0.000 2.806 457 V HA 0.083 4.203 4.120 0.001 0.000 0.239 457 V C 2.299 178.606 176.094 0.356 0.000 1.113 457 V CA 1.218 63.689 62.300 0.285 0.000 1.137 457 V CB -0.508 31.429 31.823 0.189 0.000 0.865 457 V HN -0.012 nan 8.190 nan 0.000 0.482 458 K N 0.068 120.646 120.400 0.298 0.000 2.296 458 K HA -0.022 4.299 4.320 0.001 0.000 0.200 458 K C 0.601 177.353 176.600 0.253 0.000 1.048 458 K CA 1.076 57.537 56.287 0.290 0.000 0.966 458 K CB 0.126 32.747 32.500 0.203 0.000 0.754 458 K HN 0.396 nan 8.250 nan 0.000 0.466 459 D N -1.235 119.342 120.400 0.294 0.000 2.479 459 D HA 0.052 4.692 4.640 0.001 0.000 0.218 459 D C -1.053 175.388 176.300 0.236 0.000 1.177 459 D CA 0.024 54.176 54.000 0.253 0.000 0.830 459 D CB 0.533 41.520 40.800 0.313 0.000 1.014 459 D HN 0.055 nan 8.370 nan 0.000 0.503 460 Y N 0.531 120.896 120.300 0.109 0.000 2.390 460 Y HA 0.321 4.872 4.550 0.001 0.000 0.324 460 Y C -1.361 174.590 175.900 0.086 0.000 1.151 460 Y CA -0.878 57.232 58.100 0.018 0.000 1.053 460 Y CB 1.099 39.599 38.460 0.066 0.000 1.277 460 Y HN -0.259 nan 8.280 nan 0.000 0.432 461 I N 8.970 129.268 120.570 -0.453 0.000 2.421 461 I HA 0.218 4.389 4.170 0.001 0.000 0.291 461 I C -2.119 173.763 176.117 -0.391 0.000 1.089 461 I CA -1.626 59.530 61.300 -0.240 0.000 1.354 461 I CB 0.388 38.207 38.000 -0.302 0.000 1.413 461 I HN 0.431 nan 8.210 nan 0.000 0.513 462 P HA 0.042 nan 4.420 nan 0.000 0.271 462 P C 0.033 177.091 177.300 -0.403 0.000 1.233 462 P CA -0.202 62.725 63.100 -0.289 0.000 0.789 462 P CB 0.647 31.902 31.700 -0.743 0.000 0.951 463 D N -0.010 120.266 120.400 -0.206 0.000 2.264 463 D HA -0.130 4.510 4.640 0.001 0.000 0.208 463 D C 1.436 177.707 176.300 -0.048 0.000 0.966 463 D CA 1.439 55.409 54.000 -0.049 0.000 0.864 463 D CB -0.485 40.376 40.800 0.101 0.000 0.933 463 D HN 0.569 nan 8.370 nan 0.000 0.499 464 Y N -0.757 119.548 120.300 0.007 0.000 2.578 464 Y HA 0.227 4.778 4.550 0.001 0.000 0.297 464 Y C 0.609 176.396 175.900 -0.188 0.000 1.176 464 Y CA -0.299 57.730 58.100 -0.118 0.000 1.315 464 Y CB -0.519 37.819 38.460 -0.203 0.000 1.031 464 Y HN -0.309 nan 8.280 nan 0.000 0.524 465 V N 4.383 124.246 119.914 -0.084 0.000 2.304 465 V HA 0.291 4.412 4.120 0.001 0.000 0.262 465 V C -0.789 175.474 176.094 0.281 0.000 1.061 465 V CA -0.463 61.939 62.300 0.169 0.000 0.872 465 V CB -0.604 31.396 31.823 0.295 0.000 1.077 465 V HN 0.667 nan 8.190 nan 0.000 0.480 472 P HA -0.147 nan 4.420 nan 0.000 0.218 472 P C 1.237 178.485 177.300 -0.086 0.000 1.148 472 P CA 1.282 64.327 63.100 -0.091 0.000 0.822 472 P CB 0.216 31.892 31.700 -0.042 0.000 0.784 473 S N -1.014 114.645 115.700 -0.068 0.000 2.402 473 S HA -0.130 4.340 4.470 0.001 0.000 0.229 473 S C 1.689 176.253 174.600 -0.061 0.000 1.021 473 S CA 1.182 59.350 58.200 -0.053 0.000 0.974 473 S CB -1.004 62.176 63.200 -0.034 0.000 0.800 473 S HN 0.016 nan 8.310 nan 0.000 0.484 474 D N 2.201 122.564 120.400 -0.062 0.000 2.137 474 D HA 0.213 4.854 4.640 0.001 0.000 0.202 474 D C 2.311 178.498 176.300 -0.188 0.000 0.970 474 D CA 1.267 55.220 54.000 -0.077 0.000 0.837 474 D CB -0.666 40.173 40.800 0.066 0.000 0.981 474 D HN 0.489 nan 8.370 nan 0.000 0.475 475 A N 0.331 123.017 122.820 -0.224 0.000 1.883 475 A HA -0.200 4.121 4.320 0.001 0.000 0.217 475 A C 2.338 179.832 177.584 -0.150 0.000 1.186 475 A CA 2.258 54.161 52.037 -0.223 0.000 0.624 475 A CB -1.039 17.850 19.000 -0.185 0.000 0.822 475 A HN 0.218 nan 8.150 nan 0.000 0.444 476 T N -0.140 114.349 114.554 -0.109 0.000 2.684 476 T HA -0.174 4.176 4.350 0.001 0.000 0.267 476 T C 1.961 176.617 174.700 -0.074 0.000 1.036 476 T CA 1.789 63.842 62.100 -0.077 0.000 1.148 476 T CB -0.221 68.609 68.868 -0.062 0.000 0.863 476 T HN 0.529 nan 8.240 nan 0.000 0.436 477 K N 0.462 120.813 120.400 -0.082 0.000 2.032 477 K HA -0.014 4.307 4.320 0.001 0.000 0.209 477 K C 2.286 178.839 176.600 -0.079 0.000 1.048 477 K CA 1.126 57.369 56.287 -0.072 0.000 0.927 477 K CB -0.358 32.097 32.500 -0.075 0.000 0.712 477 K HN 0.304 nan 8.250 nan 0.000 0.441 478 L N 1.014 122.159 121.223 -0.129 0.000 2.056 478 L HA -0.205 4.136 4.340 0.001 0.000 0.207 478 L C 2.034 178.860 176.870 -0.074 0.000 1.078 478 L CA 0.916 55.680 54.840 -0.127 0.000 0.749 478 L CB -0.512 41.390 42.059 -0.262 0.000 0.901 478 L HN 0.221 nan 8.230 nan 0.000 0.433 479 N N -0.456 118.190 118.700 -0.089 0.000 2.120 479 N HA -0.142 4.598 4.740 0.001 0.000 0.188 479 N C 1.845 177.345 175.510 -0.017 0.000 1.024 479 N CA 1.847 54.862 53.050 -0.059 0.000 0.852 479 N CB -0.512 37.941 38.487 -0.056 0.000 1.003 479 N HN 0.255 nan 8.380 nan 0.000 0.424 480 T N 1.751 116.293 114.554 -0.021 0.000 2.708 480 T HA -0.072 4.279 4.350 0.001 0.000 0.266 480 T C 1.565 176.270 174.700 0.009 0.000 1.037 480 T CA 1.137 63.232 62.100 -0.008 0.000 1.146 480 T CB -0.243 68.614 68.868 -0.018 0.000 0.865 480 T HN 0.237 nan 8.240 nan 0.000 0.435 481 N N 1.440 120.146 118.700 0.011 0.000 2.188 481 N HA -0.031 4.710 4.740 0.001 0.000 0.184 481 N C 1.767 177.317 175.510 0.067 0.000 1.018 481 N CA 0.689 53.756 53.050 0.029 0.000 0.858 481 N CB -0.566 37.945 38.487 0.040 0.000 0.989 481 N HN 0.242 nan 8.380 nan 0.000 0.426 482 N N 0.763 119.528 118.700 0.109 0.000 2.223 482 N HA -0.040 4.700 4.740 0.001 0.000 0.185 482 N C 1.460 177.120 175.510 0.251 0.000 1.016 482 N CA 1.029 54.224 53.050 0.241 0.000 0.863 482 N CB -0.308 38.276 38.487 0.161 0.000 0.983 482 N HN 0.260 nan 8.380 nan 0.000 0.429 483 A N 1.017 123.913 122.820 0.126 0.000 1.968 483 A HA -0.084 4.237 4.320 0.001 0.000 0.217 483 A C 1.992 179.621 177.584 0.075 0.000 1.169 483 A CA 1.082 53.181 52.037 0.103 0.000 0.638 483 A CB -0.204 18.829 19.000 0.054 0.000 0.812 483 A HN 0.316 nan 8.150 nan 0.000 0.446 484 E N -0.238 119.984 120.200 0.038 0.000 2.076 484 E HA -0.068 4.283 4.350 0.001 0.000 0.190 484 E C 1.904 178.476 176.600 -0.047 0.000 0.979 484 E CA 0.958 57.355 56.400 -0.004 0.000 0.807 484 E CB -0.278 29.410 29.700 -0.020 0.000 0.761 484 E HN 0.671 nan 8.360 nan 0.000 0.454 485 I N 0.521 121.039 120.570 -0.086 0.000 2.179 485 I HA -0.242 3.929 4.170 0.001 0.000 0.242 485 I C 1.375 177.255 176.117 -0.396 0.000 1.088 485 I CA 1.274 62.395 61.300 -0.299 0.000 1.357 485 I CB -0.108 37.637 38.000 -0.425 0.000 1.051 485 I HN -0.024 nan 8.210 nan 0.000 0.409 486 F N 0.768 120.719 119.950 0.001 0.000 2.701 486 F HA 0.103 4.631 4.527 0.001 0.000 0.295 486 F C 1.612 177.404 175.800 -0.013 0.000 1.165 486 F CA -0.167 57.827 58.000 -0.009 0.000 1.399 486 F CB -0.877 38.122 39.000 -0.002 0.000 0.996 486 F HN 0.050 nan 8.300 nan 0.000 0.513 487 N N 0.771 119.513 118.700 0.069 0.000 2.109 487 N HA -0.150 4.591 4.740 0.001 0.000 0.188 487 N C 1.826 177.348 175.510 0.021 0.000 1.034 487 N CA 2.134 55.207 53.050 0.038 0.000 0.846 487 N CB 0.016 38.508 38.487 0.008 0.000 1.010 487 N HN 0.241 nan 8.380 nan 0.000 0.425 488 T N -5.052 109.504 114.554 0.005 0.000 3.058 488 T HA 0.264 4.614 4.350 0.001 0.000 0.278 488 T C 0.610 175.312 174.700 0.003 0.000 0.974 488 T CA -0.394 61.701 62.100 -0.009 0.000 0.893 488 T CB -0.421 68.433 68.868 -0.023 0.000 1.138 488 T HN -0.108 nan 8.240 nan 0.000 0.529 492 K N 0.527 120.771 120.400 -0.261 0.000 2.057 492 K HA -0.013 4.308 4.320 0.001 0.000 0.207 492 K C 1.554 177.740 176.600 -0.691 0.000 1.049 492 K CA 1.765 57.677 56.287 -0.626 0.000 0.931 492 K CB -0.107 31.919 32.500 -0.791 0.000 0.714 492 K HN 0.189 nan 8.250 nan 0.000 0.440 493 T N 1.218 115.639 114.554 -0.223 0.000 2.684 493 T HA -0.181 4.170 4.350 0.001 0.000 0.267 493 T C 2.006 176.817 174.700 0.184 0.000 1.036 493 T CA 1.555 63.734 62.100 0.132 0.000 1.148 493 T CB -0.283 68.796 68.868 0.353 0.000 0.863 493 T HN 0.343 nan 8.240 nan 0.000 0.436 494 A N 1.199 124.103 122.820 0.141 0.000 1.902 494 A HA -0.141 4.179 4.320 0.001 0.000 0.217 494 A C 2.569 180.257 177.584 0.172 0.000 1.181 494 A CA 2.187 54.356 52.037 0.221 0.000 0.623 494 A CB -1.277 17.697 19.000 -0.044 0.000 0.818 494 A HN 0.488 nan 8.150 nan 0.000 0.443 495 T N -0.861 113.688 114.554 -0.008 0.000 2.746 495 T HA -0.101 4.250 4.350 0.001 0.000 0.267 495 T C 0.810 175.573 174.700 0.104 0.000 1.039 495 T CA 0.826 62.913 62.100 -0.021 0.000 1.142 495 T CB -0.289 68.483 68.868 -0.159 0.000 0.866 495 T HN 0.525 nan 8.240 nan 0.000 0.444 499 K N 1.933 122.441 120.400 0.180 0.000 2.373 499 K HA 0.466 4.787 4.320 0.001 0.000 0.200 499 K C 1.066 177.554 176.600 -0.187 0.000 1.054 499 K CA 0.804 57.143 56.287 0.086 0.000 1.065 499 K CB 0.889 33.437 32.500 0.080 0.000 0.886 499 K HN 0.523 nan 8.250 nan 0.000 0.546 500 G N 0.513 108.925 108.800 -0.647 0.000 2.645 500 G HA2 -0.175 3.786 3.960 0.001 0.000 0.239 500 G HA3 -0.175 3.786 3.960 0.001 0.000 0.239 500 G C 0.543 175.386 174.900 -0.096 0.000 1.331 500 G CA 0.312 45.013 45.100 -0.665 0.000 0.890 500 G HN 0.542 nan 8.290 nan 0.000 0.572 501 G N -1.726 107.016 108.800 -0.096 0.000 2.157 501 G HA2 -0.170 3.790 3.960 0.001 0.000 0.239 501 G HA3 -0.170 3.790 3.960 0.001 0.000 0.239 501 G C 1.336 176.156 174.900 -0.133 0.000 0.982 501 G CA 1.160 46.263 45.100 0.005 0.000 0.650 501 G HN 1.788 nan 8.290 nan 0.000 0.527 502 I N 0.369 120.640 120.570 -0.499 0.000 2.226 502 I HA -0.095 4.075 4.170 0.001 0.000 0.245 502 I C 2.365 178.186 176.117 -0.494 0.000 1.100 502 I CA 2.084 62.740 61.300 -1.075 0.000 1.374 502 I CB -0.075 37.223 38.000 -1.169 0.000 1.057 502 I HN 0.165 nan 8.210 nan 0.000 0.413 503 D N 0.629 120.859 120.400 -0.285 0.000 2.116 503 D HA -0.263 4.378 4.640 0.001 0.000 0.193 503 D C 2.027 178.312 176.300 -0.025 0.000 0.998 503 D CA 1.414 55.327 54.000 -0.145 0.000 0.836 503 D CB -0.197 40.542 40.800 -0.101 0.000 0.951 503 D HN 0.314 nan 8.370 nan 0.000 0.449 504 E N 0.202 120.397 120.200 -0.007 0.000 2.358 504 E HA -0.055 4.296 4.350 0.001 0.000 0.195 504 E C 1.295 177.963 176.600 0.113 0.000 1.010 504 E CA 0.586 57.020 56.400 0.056 0.000 0.856 504 E CB 0.146 29.879 29.700 0.055 0.000 0.795 504 E HN 0.325 nan 8.360 nan 0.000 0.504 505 E N -1.389 118.892 120.200 0.135 0.000 2.473 505 E HA 0.008 4.359 4.350 0.001 0.000 0.204 505 E C 1.142 177.938 176.600 0.326 0.000 0.994 505 E CA -0.358 56.205 56.400 0.271 0.000 0.945 505 E CB -0.055 29.938 29.700 0.489 0.000 0.990 505 E HN 0.318 nan 8.360 nan 0.000 0.493 506 W N 2.309 123.590 121.300 -0.032 0.000 2.333 506 W HA -0.251 4.410 4.660 0.001 0.000 0.316 506 W C 0.850 177.497 176.519 0.214 0.000 1.215 506 W CA 1.707 59.058 57.345 0.009 0.000 1.278 506 W CB 0.007 29.398 29.460 -0.115 0.000 1.154 506 W HN 0.070 nan 8.180 nan 0.000 0.486 507 D N 0.352 120.857 120.400 0.174 0.000 2.104 507 D HA -0.176 4.465 4.640 0.001 0.000 0.194 507 D C 2.305 178.610 176.300 0.009 0.000 0.994 507 D CA 2.255 56.285 54.000 0.049 0.000 0.830 507 D CB -0.941 39.925 40.800 0.110 0.000 0.959 507 D HN 0.178 nan 8.370 nan 0.000 0.452 508 A N 0.104 122.974 122.820 0.082 0.000 1.933 508 A HA -0.211 4.110 4.320 0.001 0.000 0.218 508 A C 2.206 179.832 177.584 0.071 0.000 1.175 508 A CA 1.514 53.594 52.037 0.073 0.000 0.628 508 A CB -1.107 17.957 19.000 0.106 0.000 0.814 508 A HN 0.426 nan 8.150 nan 0.000 0.444 509 Y N 0.068 120.369 120.300 0.002 0.000 2.181 509 Y HA -0.291 4.259 4.550 0.001 0.000 0.288 509 Y C 2.426 178.229 175.900 -0.161 0.000 1.146 509 Y CA 1.721 59.818 58.100 -0.006 0.000 1.164 509 Y CB -0.800 37.791 38.460 0.218 0.000 0.982 509 Y HN 0.343 nan 8.280 nan 0.000 0.515 510 C N 1.644 120.695 119.300 -0.414 0.000 2.453 510 C HA -0.134 4.327 4.460 0.001 0.000 0.277 510 C C 2.626 177.410 174.990 -0.343 0.000 1.262 510 C CA 1.343 60.029 59.018 -0.553 0.000 1.718 510 C CB -0.897 26.552 27.740 -0.486 0.000 2.031 510 C HN 0.546 nan 8.230 nan 0.000 0.480 511 K N 0.431 120.709 120.400 -0.204 0.000 2.103 511 K HA -0.218 4.102 4.320 0.001 0.000 0.207 511 K C 2.208 178.725 176.600 -0.138 0.000 1.048 511 K CA 1.128 57.337 56.287 -0.130 0.000 0.930 511 K CB -0.463 31.996 32.500 -0.068 0.000 0.716 511 K HN 0.522 nan 8.250 nan 0.000 0.444 512 Q N 1.447 121.156 119.800 -0.153 0.000 2.002 512 Q HA -0.143 4.198 4.340 0.001 0.000 0.204 512 Q C 2.236 178.120 176.000 -0.193 0.000 0.988 512 Q CA 1.449 57.167 55.803 -0.141 0.000 0.843 512 Q CB -0.294 28.376 28.738 -0.112 0.000 0.908 512 Q HN 0.354 nan 8.270 nan 0.000 0.420 513 L N 0.969 122.001 121.223 -0.320 0.000 2.043 513 L HA -0.239 4.102 4.340 0.001 0.000 0.212 513 L C 2.085 178.829 176.870 -0.211 0.000 1.075 513 L CA 1.519 56.164 54.840 -0.325 0.000 0.752 513 L CB -0.580 41.177 42.059 -0.502 0.000 0.891 513 L HN 0.190 nan 8.230 nan 0.000 0.432 514 D N -0.730 119.558 120.400 -0.188 0.000 2.219 514 D HA -0.125 4.516 4.640 0.001 0.000 0.205 514 D C 2.332 178.581 176.300 -0.084 0.000 0.970 514 D CA 1.476 55.406 54.000 -0.116 0.000 0.851 514 D CB 0.032 40.772 40.800 -0.100 0.000 0.943 514 D HN 0.335 nan 8.370 nan 0.000 0.488 515 S N 0.313 115.959 115.700 -0.090 0.000 2.496 515 S HA -0.050 4.421 4.470 0.001 0.000 0.224 515 S C 1.709 176.274 174.600 -0.058 0.000 0.996 515 S CA 0.049 58.211 58.200 -0.064 0.000 0.927 515 S CB -0.438 62.726 63.200 -0.059 0.000 0.774 515 S HN 0.462 nan 8.310 nan 0.000 0.524 516 I N -3.405 117.122 120.570 -0.072 0.000 3.927 516 I HA 0.675 4.846 4.170 0.001 0.000 0.332 516 I C 1.091 177.179 176.117 -0.048 0.000 1.485 516 I CA -0.056 61.209 61.300 -0.059 0.000 1.131 516 I CB 0.157 38.117 38.000 -0.067 0.000 1.092 516 I HN 0.311 nan 8.210 nan 0.000 0.410 517 G N 1.678 110.452 108.800 -0.043 0.000 2.192 517 G HA2 -0.250 3.710 3.960 0.001 0.000 0.193 517 G HA3 -0.250 3.710 3.960 0.001 0.000 0.193 517 G C 0.439 175.342 174.900 0.006 0.000 0.999 517 G CA 0.173 45.261 45.100 -0.019 0.000 0.659 517 G HN 0.314 nan 8.290 nan 0.000 0.503 518 L N 0.971 122.183 121.223 -0.018 0.000 2.042 518 L HA -0.014 4.327 4.340 0.001 0.000 0.210 518 L C 2.704 179.626 176.870 0.087 0.000 1.076 518 L CA 3.060 57.912 54.840 0.021 0.000 0.749 518 L CB -0.312 41.695 42.059 -0.087 0.000 0.893 518 L HN 0.424 nan 8.230 nan 0.000 0.432 519 Q N -0.680 119.140 119.800 0.032 0.000 2.167 519 Q HA -0.235 4.106 4.340 0.001 0.000 0.202 519 Q C 2.081 178.108 176.000 0.046 0.000 0.970 519 Q CA 1.521 57.348 55.803 0.041 0.000 0.855 519 Q CB -0.174 28.567 28.738 0.006 0.000 0.911 519 Q HN 0.720 nan 8.270 nan 0.000 0.438 520 E N 0.788 121.006 120.200 0.030 0.000 2.047 520 E HA -0.135 4.216 4.350 0.001 0.000 0.191 520 E C 1.943 178.555 176.600 0.020 0.000 0.987 520 E CA 1.144 57.551 56.400 0.012 0.000 0.799 520 E CB 0.221 29.918 29.700 -0.004 0.000 0.752 520 E HN 0.142 nan 8.360 nan 0.000 0.449 521 S N 0.059 115.802 115.700 0.072 0.000 2.359 521 S HA -0.159 4.311 4.470 0.001 0.000 0.224 521 S C 2.037 176.681 174.600 0.073 0.000 1.035 521 S CA 1.658 59.907 58.200 0.082 0.000 1.018 521 S CB -0.536 62.849 63.200 0.309 0.000 0.876 521 S HN 0.378 nan 8.310 nan 0.000 0.448 522 T N 1.841 116.535 114.554 0.232 0.000 2.665 522 T HA -0.187 4.164 4.350 0.001 0.000 0.268 522 T C 1.831 176.581 174.700 0.083 0.000 1.035 522 T CA 1.753 63.977 62.100 0.206 0.000 1.151 522 T CB -0.269 68.740 68.868 0.234 0.000 0.862 522 T HN 0.439 nan 8.240 nan 0.000 0.438 523 K N 0.569 120.996 120.400 0.044 0.000 2.057 523 K HA 0.005 4.325 4.320 0.001 0.000 0.206 523 K C 2.226 178.814 176.600 -0.019 0.000 1.050 523 K CA 1.107 57.397 56.287 0.006 0.000 0.935 523 K CB -0.288 32.205 32.500 -0.011 0.000 0.715 523 K HN 0.310 nan 8.250 nan 0.000 0.439 524 I N -0.402 120.138 120.570 -0.050 0.000 2.179 524 I HA -0.263 3.908 4.170 0.001 0.000 0.242 524 I C 1.883 177.984 176.117 -0.027 0.000 1.088 524 I CA 1.415 62.664 61.300 -0.086 0.000 1.357 524 I CB -0.303 37.598 38.000 -0.165 0.000 1.051 524 I HN 0.330 nan 8.210 nan 0.000 0.409 525 W N 0.780 122.042 121.300 -0.064 0.000 2.338 525 W HA -0.273 4.387 4.660 0.001 0.000 0.304 525 W C 2.810 179.349 176.519 0.035 0.000 1.212 525 W CA 1.129 58.439 57.345 -0.058 0.000 1.264 525 W CB -0.386 28.857 29.460 -0.363 0.000 1.142 525 W HN 0.150 nan 8.180 nan 0.000 0.512 526 Q N 1.362 121.281 119.800 0.198 0.000 2.096 526 Q HA -0.254 4.086 4.340 0.001 0.000 0.204 526 Q C 2.095 178.180 176.000 0.143 0.000 0.982 526 Q CA 2.300 58.192 55.803 0.148 0.000 0.850 526 Q CB -0.376 28.397 28.738 0.057 0.000 0.901 526 Q HN 0.266 nan 8.270 nan 0.000 0.422 527 K N -1.157 119.243 120.400 0.001 0.000 2.025 527 K HA -0.158 4.162 4.320 0.001 0.000 0.207 527 K C 1.742 178.177 176.600 -0.275 0.000 1.049 527 K CA 1.457 57.619 56.287 -0.208 0.000 0.933 527 K CB -0.389 31.873 32.500 -0.397 0.000 0.714 527 K HN 0.323 nan 8.250 nan 0.000 0.438 528 W N 0.089 121.404 121.300 0.025 0.000 2.388 528 W HA -0.143 4.518 4.660 0.001 0.000 0.294 528 W C 2.190 178.837 176.519 0.214 0.000 1.212 528 W CA 1.017 58.397 57.345 0.058 0.000 1.271 528 W CB -0.565 28.942 29.460 0.079 0.000 1.126 528 W HN 0.205 nan 8.180 nan 0.000 0.535 529 Y N 1.989 122.497 120.300 0.348 0.000 2.081 529 Y HA -0.347 4.204 4.550 0.001 0.000 0.280 529 Y C 2.038 178.045 175.900 0.178 0.000 1.163 529 Y CA 2.351 60.610 58.100 0.266 0.000 1.135 529 Y CB -0.617 37.951 38.460 0.181 0.000 0.970 529 Y HN -0.170 nan 8.280 nan 0.000 0.498 530 D N -0.712 119.736 120.400 0.080 0.000 2.117 530 D HA -0.156 4.484 4.640 0.001 0.000 0.197 530 D C 2.177 178.407 176.300 -0.116 0.000 0.987 530 D CA 1.940 55.902 54.000 -0.063 0.000 0.829 530 D CB -0.651 40.141 40.800 -0.013 0.000 0.961 530 D HN 0.392 nan 8.370 nan 0.000 0.460 531 T N -0.020 114.435 114.554 -0.164 0.000 2.720 531 T HA -0.177 4.173 4.350 0.001 0.000 0.268 531 T C 1.509 176.086 174.700 -0.206 0.000 1.037 531 T CA 1.002 62.931 62.100 -0.284 0.000 1.144 531 T CB -0.311 68.239 68.868 -0.530 0.000 0.864 531 T HN 0.197 nan 8.240 nan 0.000 0.444 532 Y N 0.342 120.690 120.300 0.080 0.000 2.511 532 Y HA 0.205 4.756 4.550 0.001 0.000 0.279 532 Y C 2.472 178.418 175.900 0.076 0.000 1.157 532 Y CA 0.187 58.364 58.100 0.127 0.000 1.300 532 Y CB 0.084 38.731 38.460 0.311 0.000 1.052 532 Y HN 0.149 nan 8.280 nan 0.000 0.529 533 T N -1.886 112.707 114.554 0.065 0.000 3.057 533 T HA 0.202 4.553 4.350 0.001 0.000 0.254 533 T C 0.593 175.239 174.700 -0.088 0.000 0.965 533 T CA 0.114 62.179 62.100 -0.059 0.000 0.978 533 T CB 0.689 69.297 68.868 -0.434 0.000 1.169 533 T HN -0.087 nan 8.240 nan 0.000 0.489 534 K N 0.000 120.338 120.400 -0.103 0.000 2.780 534 K HA 0.000 4.321 4.320 0.001 0.000 0.191 534 K CA 0.000 56.247 56.287 -0.067 0.000 0.838 534 K CB 0.000 32.464 32.500 -0.060 0.000 1.064 534 K HN 0.000 nan 8.250 nan 0.000 0.543