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 3gg8_1_A DATA FIRST_RESID 41 DATA SEQUENCE MSQILEPRSE EDWTAHRTRI VCTMGPACWN VDTLVKMIDA GMNVCRLNFS DATA SEQUENCE HGDHETHART VQNIQEAMKQ RPEARLAILL DTKGPEIRTG FXXXXXPITL DATA SEQUENCE QQGATLKIVT DYNLIGDETT IACSYGALPQ SVKPGNTILI ADGSLSVKVV DATA SEQUENCE EVGSDYVITQ AQNTATIGER KNMNLPNVKV QLPVIGEKDK HDILNFGIPM DATA SEQUENCE GCNFIAASFV QSADDVRYIR GLLGPRGRHI RIIPKIENVE GLVNFDEILA DATA SEQUENCE EADGIMIARG DLGMEIPPEK VFLAQKMMIA KCNVVGKPVI TATQMLESMI DATA SEQUENCE KNPRPTRAEA ADVANAVLDG TDCVMLSGET ANGEFPVITV ETMARICYEA DATA SEQUENCE ETCVDYPALY RAMCLAVPPP ISTQEAVARA AVETAECVNA AIILALTETG DATA SEQUENCE QTARLIAKYR PMQPILALSA SESTIKHLQV IRGVTTMQVP SXXGTDHVIR DATA SEQUENCE NAIVVAKERE LVTEGESIVA VHGMXXXXXX SSNLLKVLTV E 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 41 M HA 0.000 nan 4.480 nan 0.000 0.227 41 M C 0.000 176.310 176.300 0.017 0.000 1.140 41 M CA 0.000 55.307 55.300 0.012 0.000 0.988 41 M CB 0.000 32.605 32.600 0.009 0.000 1.302 42 S N 1.416 117.126 115.700 0.017 0.000 2.493 42 S HA 0.006 4.476 4.470 -0.000 0.000 0.243 42 S C 2.222 176.839 174.600 0.028 0.000 0.991 42 S CA 2.815 61.028 58.200 0.020 0.000 0.957 42 S CB -0.360 62.851 63.200 0.017 0.000 0.756 42 S HN 1.309 nan 8.310 nan 0.000 0.521 43 Q N 0.681 120.498 119.800 0.029 0.000 2.124 43 Q HA -0.013 4.327 4.340 -0.000 0.000 0.202 43 Q C 1.991 178.020 176.000 0.049 0.000 0.977 43 Q CA 1.781 57.607 55.803 0.039 0.000 0.850 43 Q CB -0.873 27.886 28.738 0.036 0.000 0.901 43 Q HN 0.800 nan 8.270 nan 0.000 0.429 44 I N 0.059 120.653 120.570 0.040 0.000 2.286 44 I HA -0.165 4.005 4.170 -0.000 0.000 0.248 44 I C 1.891 178.037 176.117 0.048 0.000 1.115 44 I CA 0.987 62.313 61.300 0.043 0.000 1.392 44 I CB 0.104 38.120 38.000 0.027 0.000 1.065 44 I HN 0.317 nan 8.210 nan 0.000 0.418 45 L N 0.581 121.827 121.223 0.038 0.000 2.645 45 L HA 0.048 4.388 4.340 -0.000 0.000 0.235 45 L C 0.343 177.237 176.870 0.041 0.000 1.150 45 L CA -0.015 54.845 54.840 0.034 0.000 0.911 45 L CB -0.541 41.531 42.059 0.022 0.000 1.077 45 L HN 0.131 nan 8.230 nan 0.000 0.438 46 E N 1.727 121.959 120.200 0.054 0.000 2.292 46 E HA 0.111 4.461 4.350 -0.000 0.000 0.265 46 E C -1.803 174.835 176.600 0.064 0.000 1.093 46 E CA -0.753 55.682 56.400 0.058 0.000 0.922 46 E CB 0.509 30.252 29.700 0.072 0.000 1.001 46 E HN 0.030 nan 8.360 nan 0.000 0.444 47 P HA -0.002 nan 4.420 nan 0.000 0.265 47 P C -0.198 177.137 177.300 0.058 0.000 1.222 47 P CA -0.001 63.128 63.100 0.048 0.000 0.767 47 P CB 0.154 31.875 31.700 0.035 0.000 0.801 48 R N 2.796 123.343 120.500 0.078 0.000 2.340 48 R HA 0.561 4.901 4.340 -0.000 0.000 0.300 48 R C 1.153 177.520 176.300 0.111 0.000 1.069 48 R CA 0.341 56.482 56.100 0.069 0.000 0.984 48 R CB 0.581 30.915 30.300 0.056 0.000 1.003 48 R HN 0.628 nan 8.270 nan 0.000 0.459 49 S N 1.494 117.190 115.700 -0.007 0.000 2.624 49 S HA 0.331 4.801 4.470 -0.000 0.000 0.263 49 S C 1.526 175.965 174.600 -0.269 0.000 1.287 49 S CA 0.153 58.320 58.200 -0.055 0.000 0.990 49 S CB 0.253 63.399 63.200 -0.090 0.000 0.950 49 S HN 0.604 nan 8.310 nan 0.000 0.561 50 E N 0.066 120.061 120.200 -0.341 0.000 2.118 50 E HA -0.022 4.328 4.350 -0.000 0.000 0.195 50 E C 2.090 178.152 176.600 -0.897 0.000 0.992 50 E CA 2.229 58.095 56.400 -0.890 0.000 0.804 50 E CB -1.860 27.562 29.700 -0.464 0.000 0.741 50 E HN 1.015 nan 8.360 nan 0.000 0.458 51 E N 1.461 121.381 120.200 -0.467 0.000 2.118 51 E HA -0.251 4.099 4.350 -0.000 0.000 0.195 51 E C 1.964 178.372 176.600 -0.319 0.000 0.992 51 E CA 1.483 57.689 56.400 -0.323 0.000 0.804 51 E CB -0.685 28.904 29.700 -0.186 0.000 0.741 51 E HN 0.666 nan 8.360 nan 0.000 0.458 52 D N -0.185 119.984 120.400 -0.386 0.000 2.077 52 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 52 D C 2.123 178.096 176.300 -0.545 0.000 0.983 52 D CA 1.541 55.269 54.000 -0.454 0.000 0.841 52 D CB -0.708 39.741 40.800 -0.585 0.000 0.992 52 D HN 0.874 nan 8.370 nan 0.000 0.450 53 W N 0.929 121.935 121.300 -0.490 0.000 2.595 53 W HA 0.027 4.687 4.660 -0.000 0.000 0.257 53 W C 1.385 177.999 176.519 0.159 0.000 1.267 53 W CA 0.633 57.849 57.345 -0.214 0.000 1.300 53 W CB -1.249 28.112 29.460 -0.165 0.000 1.120 53 W HN -0.146 nan 8.180 nan 0.000 0.618 54 T N 1.685 116.113 114.554 -0.210 0.000 3.035 54 T HA 0.124 4.474 4.350 -0.000 0.000 0.268 54 T C 1.715 176.450 174.700 0.059 0.000 1.109 54 T CA 1.443 63.515 62.100 -0.046 0.000 1.119 54 T CB -0.262 68.392 68.868 -0.356 0.000 0.900 54 T HN 0.202 nan 8.240 nan 0.000 0.503 55 A N 1.868 124.738 122.820 0.082 0.000 2.411 55 A HA 0.209 4.529 4.320 -0.000 0.000 0.251 55 A C 0.574 178.245 177.584 0.146 0.000 1.317 55 A CA -0.587 51.493 52.037 0.071 0.000 0.904 55 A CB -0.659 18.395 19.000 0.090 0.000 0.993 55 A HN 0.779 nan 8.150 nan 0.000 0.504 56 H N -1.230 117.996 119.070 0.260 0.000 2.790 56 H HA 0.297 4.853 4.556 -0.000 0.000 0.358 56 H C 0.268 175.689 175.328 0.154 0.000 1.103 56 H CA -0.304 55.895 56.048 0.251 0.000 1.426 56 H CB 0.840 30.769 29.762 0.279 0.000 1.424 56 H HN 0.148 nan 8.280 nan 0.000 0.599 57 R N 1.530 122.118 120.500 0.148 0.000 2.112 57 R HA 0.054 4.394 4.340 -0.000 0.000 0.216 57 R C 0.400 176.767 176.300 0.111 0.000 1.080 57 R CA 0.358 56.506 56.100 0.081 0.000 0.996 57 R CB -0.514 29.854 30.300 0.113 0.000 0.902 57 R HN 0.568 nan 8.270 nan 0.000 0.449 58 T N 3.720 118.394 114.554 0.201 0.000 2.902 58 T HA 0.108 4.458 4.350 -0.000 0.000 0.301 58 T C 0.616 175.458 174.700 0.236 0.000 1.012 58 T CA -0.027 62.187 62.100 0.191 0.000 1.151 58 T CB 0.845 69.816 68.868 0.172 0.000 0.946 58 T HN -0.024 nan 8.240 nan 0.000 0.542 59 R N 2.481 123.069 120.500 0.146 0.000 2.531 59 R HA 0.485 4.825 4.340 -0.000 0.000 0.273 59 R C -0.195 176.186 176.300 0.135 0.000 1.070 59 R CA -0.463 55.719 56.100 0.137 0.000 1.112 59 R CB 0.704 31.055 30.300 0.084 0.000 1.049 59 R HN 0.587 nan 8.270 nan 0.000 0.508 60 I N 1.690 122.347 120.570 0.145 0.000 2.418 60 I HA 0.209 4.379 4.170 -0.000 0.000 0.287 60 I C -0.373 175.796 176.117 0.086 0.000 1.008 60 I CA -0.968 60.398 61.300 0.111 0.000 1.104 60 I CB 2.079 40.154 38.000 0.126 0.000 1.264 60 I HN 0.081 nan 8.210 nan 0.000 0.438 61 V N 5.396 125.345 119.914 0.058 0.000 2.407 61 V HA 0.322 4.442 4.120 -0.000 0.000 0.278 61 V C -0.105 176.023 176.094 0.057 0.000 1.037 61 V CA -0.449 61.882 62.300 0.052 0.000 0.900 61 V CB 1.209 33.047 31.823 0.024 0.000 0.983 61 V HN 0.791 nan 8.190 nan 0.000 0.459 62 C N 3.285 122.627 119.300 0.070 0.000 2.411 62 C HA 0.623 5.083 4.460 -0.000 0.000 0.330 62 C C 0.776 175.813 174.990 0.078 0.000 1.224 62 C CA -0.537 58.522 59.018 0.069 0.000 1.770 62 C CB 1.294 29.078 27.740 0.073 0.000 2.297 62 C HN 0.871 nan 8.230 nan 0.000 0.507 63 T N 4.809 119.406 114.554 0.073 0.000 2.806 63 T HA 0.323 4.673 4.350 -0.000 0.000 0.290 63 T C 0.230 174.984 174.700 0.089 0.000 0.966 63 T CA -0.305 61.847 62.100 0.087 0.000 1.060 63 T CB 0.475 69.391 68.868 0.080 0.000 0.927 63 T HN 0.437 nan 8.240 nan 0.000 0.485 64 M N 2.775 122.448 119.600 0.121 0.000 2.250 64 M HA 0.585 5.065 4.480 -0.000 0.000 0.344 64 M C 0.787 177.151 176.300 0.106 0.000 1.150 64 M CA -0.117 55.263 55.300 0.132 0.000 1.147 64 M CB 0.713 33.426 32.600 0.187 0.000 1.498 64 M HN 0.912 nan 8.290 nan 0.000 0.461 65 G N 2.330 111.160 108.800 0.050 0.000 2.506 65 G HA2 0.462 4.422 3.960 -0.000 0.000 0.292 65 G HA3 0.462 4.422 3.960 -0.000 0.000 0.292 65 G C -2.740 171.940 174.900 -0.366 0.000 1.425 65 G CA -0.663 44.406 45.100 -0.053 0.000 0.788 65 G HN 0.349 nan 8.290 nan 0.000 0.490 66 P HA -0.078 nan 4.420 nan 0.000 0.221 66 P C 1.648 178.645 177.300 -0.505 0.000 1.145 66 P CA 1.754 64.459 63.100 -0.659 0.000 0.795 66 P CB 0.190 31.744 31.700 -0.243 0.000 0.775 67 A N -0.647 121.990 122.820 -0.305 0.000 2.119 67 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 67 A C 2.168 179.656 177.584 -0.159 0.000 1.152 67 A CA 1.449 53.370 52.037 -0.193 0.000 0.708 67 A CB -1.116 17.806 19.000 -0.130 0.000 0.805 67 A HN 0.474 nan 8.150 nan 0.000 0.460 68 C N -4.396 114.794 119.300 -0.183 0.000 4.100 68 C HA 0.261 4.721 4.460 -0.000 0.000 0.393 68 C C 1.924 176.927 174.990 0.021 0.000 1.619 68 C CA 0.043 59.026 59.018 -0.058 0.000 1.976 68 C CB -1.457 26.277 27.740 -0.010 0.000 2.992 68 C HN 0.819 nan 8.230 nan 0.000 0.694 69 W N 1.653 122.963 121.300 0.017 0.000 2.961 69 W HA 0.257 4.917 4.660 -0.000 0.000 0.240 69 W C 0.225 176.759 176.519 0.025 0.000 1.305 69 W CA -0.727 56.634 57.345 0.027 0.000 1.465 69 W CB -0.749 28.725 29.460 0.023 0.000 1.135 69 W HN 0.217 nan 8.180 nan 0.000 0.688 70 N N 1.876 120.743 118.700 0.278 0.000 2.518 70 N HA -0.010 4.730 4.740 -0.000 0.000 0.266 70 N C 1.212 176.783 175.510 0.102 0.000 1.196 70 N CA 0.079 53.231 53.050 0.171 0.000 0.947 70 N CB 2.532 41.092 38.487 0.121 0.000 1.098 70 N HN -0.172 nan 8.380 nan 0.000 0.450 71 V N 2.840 122.798 119.914 0.073 0.000 2.278 71 V HA -0.304 3.816 4.120 -0.000 0.000 0.251 71 V C 1.181 177.307 176.094 0.053 0.000 1.062 71 V CA 1.995 64.330 62.300 0.057 0.000 1.038 71 V CB -0.464 31.384 31.823 0.042 0.000 0.646 71 V HN 0.656 nan 8.190 nan 0.000 0.447 72 D N -0.681 119.748 120.400 0.048 0.000 2.144 72 D HA -0.128 4.512 4.640 -0.000 0.000 0.200 72 D C 2.174 178.501 176.300 0.046 0.000 0.978 72 D CA 1.605 55.630 54.000 0.042 0.000 0.833 72 D CB -0.469 40.352 40.800 0.035 0.000 0.961 72 D HN 0.398 nan 8.370 nan 0.000 0.470 73 T N 0.585 115.168 114.554 0.048 0.000 2.777 73 T HA -0.024 4.326 4.350 -0.000 0.000 0.266 73 T C 2.060 176.794 174.700 0.058 0.000 1.040 73 T CA 0.466 62.594 62.100 0.047 0.000 1.141 73 T CB -0.318 68.571 68.868 0.034 0.000 0.868 73 T HN 0.100 nan 8.240 nan 0.000 0.444 74 L N 0.814 122.077 121.223 0.067 0.000 2.079 74 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 74 L C 2.637 179.548 176.870 0.069 0.000 1.081 74 L CA 0.925 55.810 54.840 0.074 0.000 0.752 74 L CB -0.688 41.420 42.059 0.081 0.000 0.896 74 L HN 0.159 nan 8.230 nan 0.000 0.433 75 V N -0.050 119.900 119.914 0.061 0.000 2.261 75 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 75 V C 2.424 178.555 176.094 0.062 0.000 1.047 75 V CA 1.861 64.194 62.300 0.056 0.000 1.015 75 V CB -0.504 31.347 31.823 0.047 0.000 0.642 75 V HN 0.437 nan 8.190 nan 0.000 0.446 76 K N -0.607 119.830 120.400 0.063 0.000 2.152 76 K HA -0.188 4.132 4.320 -0.000 0.000 0.206 76 K C 2.131 178.783 176.600 0.087 0.000 1.048 76 K CA 1.676 58.006 56.287 0.072 0.000 0.933 76 K CB -0.284 32.256 32.500 0.066 0.000 0.721 76 K HN 0.402 nan 8.250 nan 0.000 0.447 77 M N 0.358 120.007 119.600 0.082 0.000 2.132 77 M HA -0.116 4.364 4.480 -0.000 0.000 0.263 77 M C 2.118 178.480 176.300 0.103 0.000 1.065 77 M CA 1.423 56.777 55.300 0.090 0.000 1.122 77 M CB -0.227 32.422 32.600 0.081 0.000 1.365 77 M HN 0.099 nan 8.290 nan 0.000 0.411 78 I N 0.468 121.093 120.570 0.092 0.000 2.127 78 I HA -0.346 3.824 4.170 -0.000 0.000 0.241 78 I C 1.745 177.922 176.117 0.101 0.000 1.075 78 I CA 1.348 62.703 61.300 0.091 0.000 1.334 78 I CB -0.686 37.358 38.000 0.072 0.000 1.040 78 I HN 0.263 nan 8.210 nan 0.000 0.405 79 D N 1.020 121.476 120.400 0.094 0.000 2.221 79 D HA -0.153 4.487 4.640 -0.000 0.000 0.204 79 D C 2.098 178.492 176.300 0.156 0.000 0.982 79 D CA 1.466 55.523 54.000 0.096 0.000 0.857 79 D CB -0.176 40.673 40.800 0.080 0.000 0.934 79 D HN 0.409 nan 8.370 nan 0.000 0.475 80 A N -0.713 122.219 122.820 0.187 0.000 2.072 80 A HA 0.396 4.716 4.320 -0.000 0.000 0.216 80 A C 1.893 179.664 177.584 0.311 0.000 1.156 80 A CA 1.524 53.722 52.037 0.269 0.000 0.701 80 A CB 0.174 19.282 19.000 0.178 0.000 0.816 80 A HN 0.313 nan 8.150 nan 0.000 0.458 81 G N -2.076 106.877 108.800 0.254 0.000 2.672 81 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.197 81 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.197 81 G C 0.301 175.341 174.900 0.234 0.000 0.995 81 G CA -0.011 45.280 45.100 0.318 0.000 0.754 81 G HN 0.472 nan 8.290 nan 0.000 0.505 82 M N 1.517 121.216 119.600 0.164 0.000 2.290 82 M HA 0.283 4.763 4.480 -0.000 0.000 0.356 82 M C 0.884 177.258 176.300 0.124 0.000 1.448 82 M CA 1.252 56.630 55.300 0.131 0.000 0.993 82 M CB 0.095 32.760 32.600 0.108 0.000 1.934 82 M HN 0.276 nan 8.290 nan 0.000 0.461 83 N N 2.591 121.362 118.700 0.119 0.000 2.382 83 N HA 0.219 4.959 4.740 -0.000 0.000 0.200 83 N C -1.199 174.379 175.510 0.112 0.000 1.122 83 N CA -0.284 52.831 53.050 0.110 0.000 0.870 83 N CB 1.169 39.721 38.487 0.109 0.000 1.176 83 N HN 0.402 nan 8.380 nan 0.000 0.474 84 V N 0.931 120.910 119.914 0.109 0.000 2.808 84 V HA 0.352 4.472 4.120 -0.000 0.000 0.308 84 V C -0.988 175.174 176.094 0.113 0.000 1.099 84 V CA -0.969 61.402 62.300 0.119 0.000 0.920 84 V CB 2.027 33.905 31.823 0.092 0.000 1.014 84 V HN 0.092 nan 8.190 nan 0.000 0.425 85 C N 4.516 123.895 119.300 0.132 0.000 2.239 85 C HA 0.547 5.007 4.460 -0.000 0.000 0.325 85 C C 0.554 175.631 174.990 0.145 0.000 1.231 85 C CA -0.702 58.395 59.018 0.133 0.000 1.652 85 C CB 0.068 27.892 27.740 0.139 0.000 2.284 85 C HN 0.914 nan 8.230 nan 0.000 0.499 86 R N 3.695 124.272 120.500 0.129 0.000 2.221 86 R HA 0.542 4.882 4.340 -0.000 0.000 0.327 86 R C -1.144 175.251 176.300 0.159 0.000 1.033 86 R CA -0.333 55.844 56.100 0.130 0.000 0.887 86 R CB 0.356 30.715 30.300 0.098 0.000 1.057 86 R HN 0.784 nan 8.270 nan 0.000 0.455 87 L N 4.449 125.780 121.223 0.180 0.000 2.262 87 L HA 0.290 4.630 4.340 -0.000 0.000 0.288 87 L C -0.049 176.925 176.870 0.173 0.000 1.035 87 L CA -0.862 54.100 54.840 0.203 0.000 0.820 87 L CB 1.129 43.328 42.059 0.233 0.000 1.204 87 L HN 0.563 nan 8.230 nan 0.000 0.424 88 N N 2.488 121.295 118.700 0.179 0.000 2.415 88 N HA 0.120 4.860 4.740 -0.000 0.000 0.250 88 N C 0.249 175.816 175.510 0.095 0.000 1.127 88 N CA -0.074 53.076 53.050 0.167 0.000 0.945 88 N CB 0.360 38.973 38.487 0.211 0.000 1.196 88 N HN 0.337 nan 8.380 nan 0.000 0.499 89 F N 1.286 121.129 119.950 -0.179 0.000 2.802 89 F HA 0.087 4.614 4.527 -0.000 0.000 0.300 89 F C 2.127 177.861 175.800 -0.110 0.000 1.168 89 F CA 0.165 58.039 58.000 -0.210 0.000 1.433 89 F CB -0.004 38.823 39.000 -0.287 0.000 1.115 89 F HN 0.458 nan 8.300 nan 0.000 0.582 90 S N -1.378 114.279 115.700 -0.072 0.000 2.419 90 S HA -0.097 4.373 4.470 -0.000 0.000 0.233 90 S C 0.627 174.924 174.600 -0.504 0.000 1.016 90 S CA 0.908 58.910 58.200 -0.329 0.000 0.974 90 S CB -0.301 62.582 63.200 -0.528 0.000 0.786 90 S HN 0.346 nan 8.310 nan 0.000 0.492 91 H N -1.165 117.935 119.070 0.050 0.000 2.869 91 H HA 0.548 5.104 4.556 -0.000 0.000 0.342 91 H C 0.681 176.019 175.328 0.017 0.000 1.250 91 H CA -0.284 55.779 56.048 0.024 0.000 1.217 91 H CB 0.584 30.352 29.762 0.010 0.000 1.917 91 H HN 0.314 nan 8.280 nan 0.000 0.586 92 G N 1.080 109.928 108.800 0.080 0.000 2.880 92 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.617 92 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.617 92 G C -0.638 174.223 174.900 -0.065 0.000 1.493 92 G CA 0.092 45.123 45.100 -0.115 0.000 0.916 92 G HN 0.908 nan 8.290 nan 0.000 0.553 93 D N -1.751 118.598 120.400 -0.085 0.000 2.569 93 D HA 0.404 5.044 4.640 -0.000 0.000 0.266 93 D C 1.200 177.585 176.300 0.142 0.000 1.164 93 D CA -0.492 53.544 54.000 0.061 0.000 1.071 93 D CB 0.142 40.978 40.800 0.061 0.000 1.183 93 D HN 0.583 nan 8.370 nan 0.000 0.613 94 H N -1.251 117.875 119.070 0.093 0.000 2.456 94 H HA -0.105 4.451 4.556 -0.000 0.000 0.296 94 H C 1.367 176.844 175.328 0.247 0.000 1.079 94 H CA 1.312 57.495 56.048 0.224 0.000 1.322 94 H CB 0.514 30.483 29.762 0.345 0.000 1.388 94 H HN 0.533 nan 8.280 nan 0.000 0.538 95 E N 0.622 120.966 120.200 0.241 0.000 2.047 95 E HA -0.121 4.228 4.350 -0.000 0.000 0.191 95 E C 2.140 178.775 176.600 0.057 0.000 0.987 95 E CA 1.846 58.330 56.400 0.141 0.000 0.799 95 E CB -0.036 29.713 29.700 0.082 0.000 0.752 95 E HN 0.183 nan 8.360 nan 0.000 0.449 96 T N 0.430 114.951 114.554 -0.055 0.000 2.708 96 T HA -0.153 4.197 4.350 -0.000 0.000 0.266 96 T C 1.512 176.087 174.700 -0.208 0.000 1.037 96 T CA 1.520 63.507 62.100 -0.188 0.000 1.146 96 T CB -0.482 68.201 68.868 -0.309 0.000 0.865 96 T HN 0.321 nan 8.240 nan 0.000 0.435 97 H N 0.868 119.892 119.070 -0.076 0.000 2.423 97 H HA 0.170 4.726 4.556 -0.000 0.000 0.297 97 H C 2.581 178.090 175.328 0.301 0.000 1.075 97 H CA 1.155 57.185 56.048 -0.030 0.000 1.342 97 H CB -0.507 28.966 29.762 -0.480 0.000 1.395 97 H HN 0.402 nan 8.280 nan 0.000 0.530 98 A N 1.356 124.459 122.820 0.471 0.000 1.877 98 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 98 A C 2.761 180.432 177.584 0.146 0.000 1.186 98 A CA 2.314 54.553 52.037 0.337 0.000 0.620 98 A CB -0.813 18.343 19.000 0.260 0.000 0.822 98 A HN 0.497 nan 8.150 nan 0.000 0.443 99 R N -0.889 119.652 120.500 0.068 0.000 2.115 99 R HA -0.036 4.304 4.340 -0.000 0.000 0.230 99 R C 2.249 178.524 176.300 -0.042 0.000 1.111 99 R CA 2.173 58.263 56.100 -0.016 0.000 0.976 99 R CB -2.081 28.172 30.300 -0.079 0.000 0.870 99 R HN 0.564 nan 8.270 nan 0.000 0.445 100 T N 0.537 115.074 114.554 -0.028 0.000 2.622 100 T HA -0.153 4.197 4.350 -0.000 0.000 0.266 100 T C 2.155 176.912 174.700 0.095 0.000 1.047 100 T CA 1.772 63.882 62.100 0.017 0.000 1.159 100 T CB -0.448 68.481 68.868 0.102 0.000 0.863 100 T HN 0.198 nan 8.240 nan 0.000 0.422 101 V N 1.601 121.612 119.914 0.162 0.000 2.278 101 V HA -0.289 3.831 4.120 -0.000 0.000 0.251 101 V C 2.666 178.804 176.094 0.074 0.000 1.062 101 V CA 2.071 64.456 62.300 0.141 0.000 1.038 101 V CB -0.720 31.200 31.823 0.161 0.000 0.646 101 V HN 0.522 nan 8.190 nan 0.000 0.447 102 Q N -0.364 119.467 119.800 0.051 0.000 2.135 102 Q HA -0.246 4.094 4.340 -0.000 0.000 0.204 102 Q C 2.093 178.108 176.000 0.024 0.000 0.981 102 Q CA 1.810 57.628 55.803 0.025 0.000 0.856 102 Q CB -0.094 28.652 28.738 0.013 0.000 0.902 102 Q HN 0.652 nan 8.270 nan 0.000 0.425 103 N N 0.176 118.890 118.700 0.023 0.000 2.309 103 N HA -0.068 4.672 4.740 -0.000 0.000 0.182 103 N C 1.601 177.141 175.510 0.050 0.000 1.018 103 N CA 0.837 53.904 53.050 0.030 0.000 0.876 103 N CB -0.057 38.442 38.487 0.021 0.000 0.972 103 N HN 0.326 nan 8.380 nan 0.000 0.434 104 I N 0.840 121.448 120.570 0.063 0.000 2.286 104 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 104 I C 2.056 178.205 176.117 0.053 0.000 1.104 104 I CA 0.858 62.200 61.300 0.070 0.000 1.397 104 I CB -0.167 37.888 38.000 0.090 0.000 1.072 104 I HN 0.104 nan 8.210 nan 0.000 0.417 105 Q N 0.331 120.156 119.800 0.042 0.000 2.124 105 Q HA -0.264 4.076 4.340 -0.000 0.000 0.202 105 Q C 2.061 178.076 176.000 0.025 0.000 0.977 105 Q CA 1.570 57.390 55.803 0.029 0.000 0.850 105 Q CB -0.089 28.660 28.738 0.018 0.000 0.901 105 Q HN 0.355 nan 8.270 nan 0.000 0.429 106 E N 0.760 120.976 120.200 0.026 0.000 2.072 106 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 106 E C 1.792 178.409 176.600 0.028 0.000 0.985 106 E CA 1.226 57.640 56.400 0.023 0.000 0.801 106 E CB -0.184 29.529 29.700 0.022 0.000 0.750 106 E HN 0.326 nan 8.360 nan 0.000 0.452 107 A N 0.383 123.225 122.820 0.037 0.000 1.940 107 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 107 A C 2.265 179.871 177.584 0.037 0.000 1.176 107 A CA 1.818 53.879 52.037 0.041 0.000 0.631 107 A CB -0.578 18.453 19.000 0.053 0.000 0.814 107 A HN 0.364 nan 8.150 nan 0.000 0.446 108 M N -0.735 118.887 119.600 0.036 0.000 2.279 108 M HA -0.136 4.344 4.480 -0.000 0.000 0.264 108 M C 1.921 178.235 176.300 0.022 0.000 1.062 108 M CA 1.224 56.542 55.300 0.030 0.000 1.099 108 M CB -0.202 32.415 32.600 0.029 0.000 1.394 108 M HN 0.348 nan 8.290 nan 0.000 0.426 109 K N 0.071 120.483 120.400 0.020 0.000 2.097 109 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 109 K C 1.788 178.398 176.600 0.016 0.000 1.050 109 K CA 1.142 57.438 56.287 0.015 0.000 0.938 109 K CB -0.153 32.355 32.500 0.013 0.000 0.718 109 K HN 0.524 nan 8.250 nan 0.000 0.442 110 Q N 0.056 119.868 119.800 0.020 0.000 2.378 110 Q HA -0.009 4.331 4.340 -0.000 0.000 0.205 110 Q C 0.064 176.076 176.000 0.020 0.000 0.954 110 Q CA 0.613 56.428 55.803 0.020 0.000 0.901 110 Q CB 0.425 29.177 28.738 0.024 0.000 0.981 110 Q HN 0.013 nan 8.270 nan 0.000 0.483 111 R N 0.007 120.520 120.500 0.022 0.000 2.547 111 R HA 0.209 4.549 4.340 -0.000 0.000 0.280 111 R C -2.314 173.997 176.300 0.018 0.000 1.630 111 R CA -1.742 54.371 56.100 0.021 0.000 1.470 111 R CB 0.830 31.148 30.300 0.029 0.000 1.178 111 R HN 0.011 nan 8.270 nan 0.000 0.591 112 P HA -0.064 nan 4.420 nan 0.000 0.219 112 P C 0.680 177.984 177.300 0.007 0.000 1.150 112 P CA 0.998 64.103 63.100 0.009 0.000 0.814 112 P CB 0.517 32.220 31.700 0.005 0.000 0.787 113 E N -0.378 119.826 120.200 0.007 0.000 2.274 113 E HA 0.061 4.411 4.350 -0.000 0.000 0.194 113 E C 0.833 177.440 176.600 0.011 0.000 0.996 113 E CA 0.014 56.417 56.400 0.006 0.000 0.840 113 E CB -0.247 29.454 29.700 0.002 0.000 0.772 113 E HN 0.165 nan 8.360 nan 0.000 0.491 114 A N 1.542 124.373 122.820 0.018 0.000 2.388 114 A HA 0.298 4.618 4.320 -0.000 0.000 0.257 114 A C -0.028 177.573 177.584 0.028 0.000 1.095 114 A CA -0.146 51.908 52.037 0.027 0.000 0.791 114 A CB 0.434 19.456 19.000 0.037 0.000 1.029 114 A HN 0.007 nan 8.150 nan 0.000 0.489 115 R N 2.845 123.366 120.500 0.034 0.000 2.576 115 R HA 0.277 4.617 4.340 -0.000 0.000 0.283 115 R C -1.493 174.838 176.300 0.052 0.000 1.493 115 R CA -0.214 55.906 56.100 0.032 0.000 1.170 115 R CB 0.563 30.875 30.300 0.020 0.000 1.189 115 R HN 0.711 nan 8.270 nan 0.000 0.542 116 L N 1.772 123.031 121.223 0.060 0.000 2.380 116 L HA 0.432 4.772 4.340 -0.000 0.000 0.273 116 L C 0.854 177.782 176.870 0.096 0.000 1.138 116 L CA -0.387 54.504 54.840 0.085 0.000 0.832 116 L CB 1.084 43.195 42.059 0.087 0.000 1.124 116 L HN 0.450 nan 8.230 nan 0.000 0.454 117 A N 5.182 128.086 122.820 0.140 0.000 2.304 117 A HA 0.741 5.060 4.320 -0.000 0.000 0.301 117 A C -0.436 177.271 177.584 0.204 0.000 1.132 117 A CA -0.429 51.721 52.037 0.188 0.000 0.819 117 A CB 0.453 19.658 19.000 0.342 0.000 1.094 117 A HN 0.645 nan 8.150 nan 0.000 0.492 118 I N 1.458 122.148 120.570 0.202 0.000 2.433 118 I HA 0.417 4.587 4.170 -0.000 0.000 0.292 118 I C -0.669 175.602 176.117 0.256 0.000 1.001 118 I CA -0.371 61.050 61.300 0.203 0.000 1.119 118 I CB 1.795 39.896 38.000 0.168 0.000 1.289 118 I HN 0.610 nan 8.210 nan 0.000 0.438 119 L N 7.305 128.670 121.223 0.238 0.000 2.349 119 L HA 0.555 4.895 4.340 -0.000 0.000 0.278 119 L C -1.274 175.682 176.870 0.143 0.000 0.996 119 L CA -0.583 54.395 54.840 0.230 0.000 0.825 119 L CB 1.600 43.764 42.059 0.175 0.000 1.243 119 L HN 0.574 nan 8.230 nan 0.000 0.412 120 L N 5.115 126.384 121.223 0.077 0.000 2.260 120 L HA 0.390 4.730 4.340 -0.000 0.000 0.289 120 L C -0.790 176.052 176.870 -0.047 0.000 1.057 120 L CA -0.211 54.595 54.840 -0.057 0.000 0.811 120 L CB 0.706 42.602 42.059 -0.272 0.000 1.184 120 L HN 0.631 nan 8.230 nan 0.000 0.429 121 D N 4.227 124.637 120.400 0.016 0.000 2.392 121 D HA 0.171 4.811 4.640 -0.000 0.000 0.228 121 D C -0.120 176.199 176.300 0.032 0.000 1.074 121 D CA -0.233 53.787 54.000 0.034 0.000 0.838 121 D CB 1.411 42.252 40.800 0.069 0.000 1.067 121 D HN 0.608 nan 8.370 nan 0.000 0.511 122 T N 0.970 115.523 114.554 -0.003 0.000 2.860 122 T HA 0.111 4.461 4.350 -0.000 0.000 0.299 122 T C 1.301 176.020 174.700 0.033 0.000 1.045 122 T CA -0.447 61.652 62.100 -0.002 0.000 1.071 122 T CB 1.919 70.779 68.868 -0.013 0.000 0.985 122 T HN 0.408 nan 8.240 nan 0.000 0.537 123 K N 1.555 121.980 120.400 0.041 0.000 2.001 123 K HA 0.152 4.472 4.320 -0.000 0.000 0.208 123 K C 1.336 177.926 176.600 -0.016 0.000 1.048 123 K CA 1.158 57.445 56.287 0.000 0.000 0.932 123 K CB -1.105 31.400 32.500 0.007 0.000 0.715 123 K HN 1.110 nan 8.250 nan 0.000 0.437 124 G N 0.865 109.664 108.800 -0.002 0.000 2.749 124 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.242 124 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.242 124 G C -2.480 172.375 174.900 -0.075 0.000 1.364 124 G CA -0.286 44.807 45.100 -0.011 0.000 0.888 124 G HN 0.292 nan 8.290 nan 0.000 0.566 125 P HA 0.295 nan 4.420 nan 0.000 0.266 125 P C -0.271 176.832 177.300 -0.328 0.000 1.195 125 P CA 0.669 63.636 63.100 -0.222 0.000 0.768 125 P CB 0.892 32.434 31.700 -0.264 0.000 0.838 126 E N 1.447 121.482 120.200 -0.276 0.000 2.331 126 E HA 0.512 4.862 4.350 -0.000 0.000 0.275 126 E C -0.737 175.712 176.600 -0.252 0.000 0.895 126 E CA -0.786 55.454 56.400 -0.267 0.000 0.753 126 E CB 1.831 31.428 29.700 -0.171 0.000 1.216 126 E HN 0.358 nan 8.360 nan 0.000 0.434 127 I N 2.051 122.474 120.570 -0.246 0.000 2.441 127 I HA 0.532 4.702 4.170 -0.000 0.000 0.295 127 I C -0.331 175.726 176.117 -0.100 0.000 0.994 127 I CA -0.695 60.502 61.300 -0.173 0.000 1.144 127 I CB 1.778 39.662 38.000 -0.193 0.000 1.314 127 I HN 0.210 nan 8.210 nan 0.000 0.445 128 R N 2.359 122.825 120.500 -0.056 0.000 2.673 128 R HA 0.485 4.825 4.340 -0.000 0.000 0.281 128 R C -0.577 175.779 176.300 0.093 0.000 0.991 128 R CA -0.521 55.577 56.100 -0.004 0.000 0.896 128 R CB 1.923 32.216 30.300 -0.011 0.000 1.201 128 R HN 0.795 nan 8.270 nan 0.000 0.457 129 T N -0.399 114.199 114.554 0.074 0.000 2.813 129 T HA 0.438 4.788 4.350 -0.000 0.000 0.297 129 T C 0.857 175.602 174.700 0.074 0.000 1.036 129 T CA -0.209 61.945 62.100 0.091 0.000 1.044 129 T CB 1.149 70.028 68.868 0.018 0.000 0.993 129 T HN 0.556 nan 8.240 nan 0.000 0.535 130 G N 0.171 108.950 108.800 -0.036 0.000 2.624 130 G HA2 0.518 4.478 3.960 -0.000 0.000 0.217 130 G HA3 0.518 4.478 3.960 -0.000 0.000 0.217 130 G C -0.558 174.116 174.900 -0.376 0.000 1.506 130 G CA -0.998 43.870 45.100 -0.387 0.000 1.072 130 G HN 0.624 nan 8.290 nan 0.000 0.568 138 I N 0.513 121.090 120.570 0.011 0.000 2.377 138 I HA 0.478 4.648 4.170 -0.000 0.000 0.293 138 I C 0.141 176.263 176.117 0.009 0.000 0.987 138 I CA -0.300 61.006 61.300 0.010 0.000 1.185 138 I CB 1.967 39.973 38.000 0.011 0.000 1.341 138 I HN 0.185 nan 8.210 nan 0.000 0.455 139 T N 7.197 121.755 114.554 0.008 0.000 2.837 139 T HA 0.688 5.038 4.350 -0.000 0.000 0.285 139 T C -0.434 174.271 174.700 0.008 0.000 0.984 139 T CA -0.505 61.599 62.100 0.007 0.000 1.049 139 T CB 0.915 69.787 68.868 0.006 0.000 0.947 139 T HN 0.389 nan 8.240 nan 0.000 0.472 140 L N -0.038 121.190 121.223 0.009 0.000 2.406 140 L HA 0.827 5.167 4.340 -0.000 0.000 0.272 140 L C 0.103 176.978 176.870 0.009 0.000 0.980 140 L CA -1.286 53.559 54.840 0.009 0.000 0.831 140 L CB 0.319 42.384 42.059 0.011 0.000 1.253 140 L HN 0.645 nan 8.230 nan 0.000 0.406 141 Q N 1.065 120.870 119.800 0.008 0.000 2.471 141 Q HA 0.381 4.721 4.340 -0.000 0.000 0.223 141 Q C 0.078 176.083 176.000 0.008 0.000 1.045 141 Q CA -0.216 55.592 55.803 0.007 0.000 0.956 141 Q CB 0.232 28.974 28.738 0.006 0.000 1.249 141 Q HN 0.815 nan 8.270 nan 0.000 0.549 142 Q N -0.592 119.213 119.800 0.008 0.000 2.330 142 Q HA 0.369 4.709 4.340 -0.000 0.000 0.279 142 Q C 1.094 177.099 176.000 0.009 0.000 1.024 142 Q CA 1.467 57.275 55.803 0.009 0.000 0.900 142 Q CB -0.054 28.689 28.738 0.008 0.000 1.221 142 Q HN 1.424 nan 8.270 nan 0.000 0.396 143 G N 2.069 110.875 108.800 0.010 0.000 2.253 143 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.251 143 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.251 143 G C 0.138 175.045 174.900 0.011 0.000 0.998 143 G CA -0.030 45.076 45.100 0.010 0.000 0.621 143 G HN 0.984 nan 8.290 nan 0.000 0.524 144 A N 0.845 123.672 122.820 0.011 0.000 2.477 144 A HA 0.607 4.927 4.320 -0.000 0.000 0.246 144 A C 0.855 178.447 177.584 0.014 0.000 1.078 144 A CA 1.173 53.216 52.037 0.011 0.000 0.770 144 A CB 0.196 19.202 19.000 0.009 0.000 1.011 144 A HN 0.866 nan 8.150 nan 0.000 0.494 145 T N 2.339 116.901 114.554 0.013 0.000 2.901 145 T HA 0.388 4.738 4.350 -0.000 0.000 0.301 145 T C -0.308 174.403 174.700 0.018 0.000 1.012 145 T CA 0.374 62.484 62.100 0.017 0.000 1.135 145 T CB 0.323 69.199 68.868 0.014 0.000 0.936 145 T HN 0.571 nan 8.240 nan 0.000 0.539 146 L N 3.006 124.245 121.223 0.026 0.000 2.409 146 L HA 0.558 4.898 4.340 -0.000 0.000 0.272 146 L C -0.457 176.437 176.870 0.041 0.000 0.980 146 L CA -0.654 54.203 54.840 0.028 0.000 0.826 146 L CB 1.727 43.803 42.059 0.029 0.000 1.268 146 L HN 0.509 nan 8.230 nan 0.000 0.407 147 K N 5.020 125.442 120.400 0.037 0.000 2.172 147 K HA 0.657 4.977 4.320 -0.000 0.000 0.276 147 K C -1.279 175.363 176.600 0.069 0.000 1.013 147 K CA -0.441 55.879 56.287 0.056 0.000 0.913 147 K CB 0.826 33.336 32.500 0.017 0.000 1.055 147 K HN 0.701 nan 8.250 nan 0.000 0.461 148 I N 5.273 125.904 120.570 0.101 0.000 2.418 148 I HA 0.239 4.409 4.170 -0.000 0.000 0.287 148 I C -0.353 175.840 176.117 0.128 0.000 1.008 148 I CA -1.132 60.228 61.300 0.099 0.000 1.104 148 I CB 1.748 39.802 38.000 0.090 0.000 1.264 148 I HN 0.361 nan 8.210 nan 0.000 0.438 149 V N 1.381 121.365 119.914 0.116 0.000 2.994 149 V HA 0.514 4.634 4.120 -0.000 0.000 0.318 149 V C 0.419 176.583 176.094 0.117 0.000 1.085 149 V CA -0.326 62.051 62.300 0.128 0.000 0.998 149 V CB 1.565 33.451 31.823 0.105 0.000 1.063 149 V HN 0.721 nan 8.190 nan 0.000 0.447 150 T N 0.318 114.931 114.554 0.099 0.000 3.067 150 T HA 0.055 4.405 4.350 -0.000 0.000 0.257 150 T C 0.561 175.328 174.700 0.112 0.000 1.105 150 T CA 0.938 63.085 62.100 0.078 0.000 1.104 150 T CB -0.376 68.502 68.868 0.016 0.000 0.925 150 T HN 0.919 nan 8.240 nan 0.000 0.498 151 D N 0.938 121.403 120.400 0.109 0.000 2.357 151 D HA -0.018 4.622 4.640 -0.000 0.000 0.265 151 D C 0.317 176.709 176.300 0.154 0.000 1.334 151 D CA -0.174 53.892 54.000 0.110 0.000 0.984 151 D CB -0.020 40.823 40.800 0.072 0.000 1.077 151 D HN 0.234 nan 8.370 nan 0.000 0.514 152 Y N 3.506 123.834 120.300 0.047 0.000 2.616 152 Y HA 0.047 4.597 4.550 -0.000 0.000 0.296 152 Y C 1.509 177.466 175.900 0.095 0.000 1.154 152 Y CA 0.956 59.095 58.100 0.066 0.000 1.325 152 Y CB 0.022 38.518 38.460 0.059 0.000 1.007 152 Y HN 0.488 nan 8.280 nan 0.000 0.542 153 N N -0.396 118.348 118.700 0.074 0.000 2.353 153 N HA 0.051 4.791 4.740 -0.000 0.000 0.185 153 N C -0.267 175.233 175.510 -0.017 0.000 1.098 153 N CA -0.067 52.993 53.050 0.018 0.000 0.872 153 N CB 0.269 38.780 38.487 0.040 0.000 0.970 153 N HN 0.165 nan 8.380 nan 0.000 0.467 154 L N 3.381 124.598 121.223 -0.010 0.000 2.418 154 L HA 0.131 4.471 4.340 -0.000 0.000 0.274 154 L C 0.405 177.262 176.870 -0.021 0.000 1.135 154 L CA -0.182 54.651 54.840 -0.011 0.000 0.870 154 L CB 0.457 42.520 42.059 0.007 0.000 1.154 154 L HN 0.099 nan 8.230 nan 0.000 0.462 155 I N 1.586 122.148 120.570 -0.014 0.000 2.471 155 I HA 0.331 4.501 4.170 -0.000 0.000 0.286 155 I C 0.627 176.750 176.117 0.011 0.000 1.079 155 I CA -0.095 61.209 61.300 0.007 0.000 1.398 155 I CB 0.285 38.274 38.000 -0.018 0.000 1.403 155 I HN 0.474 nan 8.210 nan 0.000 0.530 156 G N 4.960 113.776 108.800 0.025 0.000 2.528 156 G HA2 0.540 4.500 3.960 -0.000 0.000 0.289 156 G HA3 0.540 4.500 3.960 -0.000 0.000 0.289 156 G C -0.717 174.192 174.900 0.015 0.000 1.192 156 G CA -0.269 44.840 45.100 0.016 0.000 0.921 156 G HN 0.922 nan 8.290 nan 0.000 0.512 157 D N -3.259 117.147 120.400 0.011 0.000 2.812 157 D HA 0.512 5.152 4.640 -0.000 0.000 0.318 157 D C 1.216 177.521 176.300 0.009 0.000 1.234 157 D CA 0.154 54.159 54.000 0.009 0.000 0.989 157 D CB -0.056 40.746 40.800 0.004 0.000 1.442 157 D HN 0.459 nan 8.370 nan 0.000 0.537 158 E N -0.707 119.497 120.200 0.007 0.000 2.130 158 E HA -0.185 4.165 4.350 -0.000 0.000 0.196 158 E C 1.767 178.372 176.600 0.007 0.000 0.998 158 E CA 3.035 59.440 56.400 0.007 0.000 0.806 158 E CB -1.592 28.111 29.700 0.005 0.000 0.738 158 E HN 0.649 nan 8.360 nan 0.000 0.459 159 T N -4.590 109.967 114.554 0.004 0.000 2.983 159 T HA 0.398 4.748 4.350 -0.000 0.000 0.250 159 T C 1.343 176.046 174.700 0.005 0.000 1.037 159 T CA 1.296 63.397 62.100 0.002 0.000 1.142 159 T CB -0.154 68.711 68.868 -0.006 0.000 0.876 159 T HN 0.813 nan 8.240 nan 0.000 0.455 160 T N 0.958 115.514 114.554 0.004 0.000 2.848 160 T HA 0.759 5.109 4.350 -0.000 0.000 0.285 160 T C -0.978 173.732 174.700 0.017 0.000 0.995 160 T CA -0.754 61.352 62.100 0.010 0.000 0.970 160 T CB 1.159 70.025 68.868 -0.003 0.000 0.976 160 T HN 0.309 nan 8.240 nan 0.000 0.441 161 I N 1.916 122.504 120.570 0.030 0.000 2.828 161 I HA 0.737 4.907 4.170 -0.000 0.000 0.302 161 I C -0.058 176.089 176.117 0.049 0.000 1.101 161 I CA -0.640 60.679 61.300 0.032 0.000 1.031 161 I CB 2.158 40.177 38.000 0.031 0.000 1.231 161 I HN 0.779 nan 8.210 nan 0.000 0.427 162 A N 4.868 127.712 122.820 0.040 0.000 2.304 162 A HA 0.650 4.970 4.320 -0.000 0.000 0.301 162 A C -0.876 176.817 177.584 0.183 0.000 1.132 162 A CA -0.381 51.708 52.037 0.087 0.000 0.819 162 A CB 0.895 19.898 19.000 0.004 0.000 1.094 162 A HN 0.794 nan 8.150 nan 0.000 0.492 163 C N 1.756 121.213 119.300 0.263 0.000 2.417 163 C HA 0.584 5.044 4.460 -0.000 0.000 0.324 163 C C 1.837 176.978 174.990 0.252 0.000 1.240 163 C CA 0.150 59.322 59.018 0.257 0.000 1.632 163 C CB 0.910 28.746 27.740 0.160 0.000 2.241 163 C HN 1.170 nan 8.230 nan 0.000 0.499 164 S N 3.219 118.927 115.700 0.013 0.000 2.481 164 S HA -0.091 4.379 4.470 -0.000 0.000 0.231 164 S C 0.437 174.949 174.600 -0.146 0.000 0.996 164 S CA 0.566 58.464 58.200 -0.503 0.000 0.942 164 S CB -0.371 62.465 63.200 -0.606 0.000 0.768 164 S HN 0.877 nan 8.310 nan 0.000 0.520 165 Y N 2.040 122.261 120.300 -0.132 0.000 2.535 165 Y HA 0.531 5.081 4.550 -0.000 0.000 0.349 165 Y C 1.368 177.238 175.900 -0.050 0.000 0.992 165 Y CA -0.752 57.293 58.100 -0.092 0.000 1.248 165 Y CB 0.346 38.764 38.460 -0.070 0.000 1.124 165 Y HN 0.159 nan 8.280 nan 0.000 0.520 166 G N 3.347 112.007 108.800 -0.232 0.000 2.484 166 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.218 166 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.218 166 G C 1.038 175.707 174.900 -0.384 0.000 1.130 166 G CA 0.556 45.514 45.100 -0.237 0.000 0.784 166 G HN 0.706 nan 8.290 nan 0.000 0.543 167 A N 0.059 122.425 122.820 -0.756 0.000 2.577 167 A HA 0.516 4.836 4.320 -0.000 0.000 0.280 167 A C 1.739 178.856 177.584 -0.778 0.000 1.331 167 A CA -0.241 51.403 52.037 -0.654 0.000 0.935 167 A CB -0.065 18.657 19.000 -0.462 0.000 1.082 167 A HN 0.285 nan 8.150 nan 0.000 0.525 168 L N 0.789 121.569 121.223 -0.737 0.000 2.012 168 L HA -0.015 4.325 4.340 -0.000 0.000 0.210 168 L C -0.905 175.899 176.870 -0.110 0.000 1.073 168 L CA 2.539 57.225 54.840 -0.256 0.000 0.748 168 L CB -1.085 40.956 42.059 -0.028 0.000 0.891 168 L HN 0.173 nan 8.230 nan 0.000 0.431 169 P HA -0.210 nan 4.420 nan 0.000 0.216 169 P C 1.524 178.767 177.300 -0.096 0.000 1.150 169 P CA 1.481 64.509 63.100 -0.120 0.000 0.837 169 P CB -0.048 31.559 31.700 -0.155 0.000 0.786 170 Q N -1.061 118.674 119.800 -0.108 0.000 2.224 170 Q HA -0.059 4.281 4.340 -0.000 0.000 0.203 170 Q C 1.747 177.734 176.000 -0.022 0.000 0.970 170 Q CA 1.272 57.033 55.803 -0.070 0.000 0.865 170 Q CB -0.132 28.556 28.738 -0.083 0.000 0.922 170 Q HN 0.175 nan 8.270 nan 0.000 0.445 171 S N -1.261 114.444 115.700 0.009 0.000 2.483 171 S HA 0.109 4.579 4.470 -0.000 0.000 0.221 171 S C 0.296 174.933 174.600 0.062 0.000 1.030 171 S CA -0.219 58.029 58.200 0.080 0.000 0.925 171 S CB 0.884 64.216 63.200 0.220 0.000 0.795 171 S HN 0.095 nan 8.310 nan 0.000 0.511 172 V N 2.170 122.109 119.914 0.041 0.000 2.975 172 V HA 0.653 4.773 4.120 -0.000 0.000 0.318 172 V C -1.050 175.047 176.094 0.006 0.000 1.077 172 V CA -0.733 61.587 62.300 0.034 0.000 1.000 172 V CB 1.953 33.804 31.823 0.046 0.000 1.066 172 V HN 0.497 nan 8.190 nan 0.000 0.452 173 K N 2.724 123.128 120.400 0.007 0.000 2.579 173 K HA 0.619 4.939 4.320 -0.000 0.000 0.284 173 K C -3.144 173.458 176.600 0.004 0.000 0.990 173 K CA -1.980 54.305 56.287 -0.003 0.000 0.880 173 K CB 1.437 33.935 32.500 -0.003 0.000 1.488 173 K HN 0.247 nan 8.250 nan 0.000 0.425 174 P HA -0.041 nan 4.420 nan 0.000 0.258 174 P C 0.495 177.800 177.300 0.010 0.000 1.172 174 P CA 1.873 64.977 63.100 0.008 0.000 0.762 174 P CB 0.436 32.140 31.700 0.007 0.000 0.764 175 G N 2.813 111.621 108.800 0.013 0.000 2.491 175 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.203 175 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.203 175 G C 0.336 175.245 174.900 0.015 0.000 1.052 175 G CA -0.424 44.684 45.100 0.013 0.000 0.675 175 G HN 0.561 nan 8.290 nan 0.000 0.504 176 N N 1.413 120.123 118.700 0.017 0.000 2.374 176 N HA 0.413 5.153 4.740 -0.000 0.000 0.241 176 N C -0.095 175.429 175.510 0.024 0.000 1.262 176 N CA 1.193 54.255 53.050 0.021 0.000 0.880 176 N CB 0.460 38.962 38.487 0.026 0.000 1.105 176 N HN 0.289 nan 8.380 nan 0.000 0.438 177 T N 1.982 116.550 114.554 0.024 0.000 2.867 177 T HA 0.500 4.850 4.350 -0.000 0.000 0.282 177 T C -0.011 174.708 174.700 0.031 0.000 1.000 177 T CA -0.318 61.797 62.100 0.025 0.000 1.042 177 T CB 0.599 69.480 68.868 0.021 0.000 0.973 177 T HN 0.241 nan 8.240 nan 0.000 0.465 178 I N 3.280 123.869 120.570 0.032 0.000 2.466 178 I HA 0.350 4.520 4.170 -0.000 0.000 0.289 178 I C -1.202 174.932 176.117 0.028 0.000 1.026 178 I CA -0.918 60.403 61.300 0.034 0.000 1.078 178 I CB 1.691 39.717 38.000 0.043 0.000 1.249 178 I HN 0.243 nan 8.210 nan 0.000 0.429 179 L N 7.443 128.680 121.223 0.024 0.000 2.309 179 L HA 0.582 4.922 4.340 -0.000 0.000 0.282 179 L C -0.339 176.540 176.870 0.015 0.000 1.036 179 L CA -0.231 54.621 54.840 0.019 0.000 0.806 179 L CB 1.409 43.480 42.059 0.019 0.000 1.220 179 L HN 0.377 nan 8.230 nan 0.000 0.429 180 I N 2.591 123.169 120.570 0.014 0.000 2.533 180 I HA 0.576 4.745 4.170 -0.000 0.000 0.290 180 I C 0.094 176.216 176.117 0.007 0.000 1.056 180 I CA -1.114 60.192 61.300 0.011 0.000 1.057 180 I CB 1.902 39.911 38.000 0.015 0.000 1.240 180 I HN 0.703 nan 8.210 nan 0.000 0.423 181 A N 4.705 127.527 122.820 0.003 0.000 2.546 181 A HA -0.156 4.164 4.320 -0.000 0.000 0.295 181 A C 0.304 177.892 177.584 0.006 0.000 1.455 181 A CA 0.624 52.662 52.037 0.003 0.000 0.730 181 A CB -1.576 17.426 19.000 0.003 0.000 1.111 181 A HN 0.963 nan 8.150 nan 0.000 0.411 182 D N -1.998 118.406 120.400 0.007 0.000 2.723 182 D HA -0.160 4.480 4.640 -0.000 0.000 0.236 182 D C 1.409 177.717 176.300 0.013 0.000 1.138 182 D CA 2.564 56.571 54.000 0.011 0.000 0.676 182 D CB -1.564 39.244 40.800 0.014 0.000 1.069 182 D HN 2.470 nan 8.370 nan 0.000 0.430 183 G N -0.512 108.295 108.800 0.013 0.000 2.166 183 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.260 183 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.260 183 G C 1.258 176.166 174.900 0.013 0.000 0.986 183 G CA 1.611 46.719 45.100 0.014 0.000 0.683 183 G HN 0.978 nan 8.290 nan 0.000 0.527 184 S N -1.571 114.136 115.700 0.011 0.000 2.406 184 S HA 0.346 4.816 4.470 -0.000 0.000 0.228 184 S C 0.927 175.534 174.600 0.010 0.000 1.020 184 S CA 1.245 59.451 58.200 0.010 0.000 0.965 184 S CB 0.290 63.496 63.200 0.008 0.000 0.798 184 S HN 1.253 nan 8.310 nan 0.000 0.488 185 L N 1.751 122.981 121.223 0.011 0.000 2.333 185 L HA 0.692 5.032 4.340 -0.000 0.000 0.280 185 L C -0.604 176.275 176.870 0.015 0.000 1.004 185 L CA -0.392 54.456 54.840 0.013 0.000 0.820 185 L CB 2.024 44.091 42.059 0.013 0.000 1.247 185 L HN 0.141 nan 8.230 nan 0.000 0.416 186 S N 5.159 120.868 115.700 0.015 0.000 2.498 186 S HA 0.779 5.249 4.470 -0.000 0.000 0.317 186 S C -0.758 173.853 174.600 0.019 0.000 1.090 186 S CA -0.376 57.834 58.200 0.017 0.000 1.089 186 S CB 0.814 64.023 63.200 0.016 0.000 0.997 186 S HN 0.843 nan 8.310 nan 0.000 0.470 187 V N 2.626 122.553 119.914 0.022 0.000 2.815 187 V HA 0.722 4.842 4.120 -0.000 0.000 0.314 187 V C -0.569 175.541 176.094 0.026 0.000 1.064 187 V CA -0.993 61.322 62.300 0.025 0.000 0.952 187 V CB 1.754 33.595 31.823 0.029 0.000 1.020 187 V HN 0.879 nan 8.190 nan 0.000 0.439 188 K N 2.815 123.230 120.400 0.026 0.000 2.307 188 K HA 0.592 4.912 4.320 -0.000 0.000 0.263 188 K C -1.094 175.524 176.600 0.029 0.000 0.973 188 K CA -0.634 55.668 56.287 0.025 0.000 0.846 188 K CB 1.979 34.492 32.500 0.021 0.000 1.100 188 K HN 0.744 nan 8.250 nan 0.000 0.438 189 V N 5.382 125.314 119.914 0.030 0.000 2.529 189 V HA -0.037 4.083 4.120 -0.000 0.000 0.292 189 V C 1.356 177.467 176.094 0.029 0.000 1.028 189 V CA 0.040 62.359 62.300 0.032 0.000 1.074 189 V CB 0.938 32.778 31.823 0.028 0.000 0.958 189 V HN 0.747 nan 8.190 nan 0.000 0.481 190 V N 1.905 121.841 119.914 0.036 0.000 2.788 190 V HA 0.339 4.459 4.120 -0.000 0.000 0.241 190 V C 0.488 176.603 176.094 0.034 0.000 1.083 190 V CA 0.781 63.101 62.300 0.033 0.000 1.103 190 V CB -0.167 31.677 31.823 0.036 0.000 0.800 190 V HN 0.929 nan 8.190 nan 0.000 0.476 191 E N -0.265 119.963 120.200 0.047 0.000 2.390 191 E HA 0.689 5.039 4.350 -0.000 0.000 0.277 191 E C -1.846 174.755 176.600 0.002 0.000 0.939 191 E CA -0.840 55.583 56.400 0.038 0.000 0.769 191 E CB 2.703 32.447 29.700 0.073 0.000 1.251 191 E HN -0.027 nan 8.360 nan 0.000 0.450 192 V N 1.929 121.793 119.914 -0.084 0.000 2.487 192 V HA 0.691 4.811 4.120 -0.000 0.000 0.298 192 V C 0.415 176.247 176.094 -0.436 0.000 1.028 192 V CA -0.036 62.126 62.300 -0.229 0.000 0.860 192 V CB 1.364 33.099 31.823 -0.147 0.000 0.991 192 V HN 0.833 nan 8.190 nan 0.000 0.427 193 G N 2.128 110.297 108.800 -1.051 0.000 2.613 193 G HA2 0.462 4.422 3.960 -0.000 0.000 0.303 193 G HA3 0.462 4.422 3.960 -0.000 0.000 0.303 193 G C 1.013 175.567 174.900 -0.576 0.000 1.312 193 G CA 0.265 44.697 45.100 -1.114 0.000 1.036 193 G HN 0.791 nan 8.290 nan 0.000 0.513 194 S N -0.916 114.612 115.700 -0.286 0.000 2.423 194 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 194 S C 1.011 175.547 174.600 -0.106 0.000 1.014 194 S CA 1.669 59.784 58.200 -0.141 0.000 0.965 194 S CB -0.017 63.150 63.200 -0.055 0.000 0.785 194 S HN 0.636 nan 8.310 nan 0.000 0.495 195 D N -0.791 119.576 120.400 -0.055 0.000 2.582 195 D HA 0.217 4.857 4.640 -0.000 0.000 0.246 195 D C -0.082 176.292 176.300 0.122 0.000 1.334 195 D CA -0.738 53.281 54.000 0.031 0.000 0.805 195 D CB -0.575 40.271 40.800 0.077 0.000 1.087 195 D HN 0.649 nan 8.370 nan 0.000 0.499 196 Y N -2.124 118.173 120.300 -0.006 0.000 2.670 196 Y HA 0.757 5.307 4.550 -0.000 0.000 0.334 196 Y C -2.052 173.851 175.900 0.005 0.000 1.185 196 Y CA -1.554 56.548 58.100 0.004 0.000 1.053 196 Y CB 1.198 39.662 38.460 0.007 0.000 1.298 196 Y HN -0.200 nan 8.280 nan 0.000 0.459 197 V N 1.926 121.974 119.914 0.223 0.000 2.733 197 V HA 0.748 4.868 4.120 -0.000 0.000 0.306 197 V C -0.447 175.782 176.094 0.223 0.000 1.084 197 V CA -0.339 62.034 62.300 0.123 0.000 0.905 197 V CB 1.434 33.286 31.823 0.049 0.000 1.010 197 V HN 1.095 nan 8.190 nan 0.000 0.424 198 I N 2.927 123.621 120.570 0.208 0.000 2.354 198 I HA 0.954 5.124 4.170 -0.000 0.000 0.292 198 I C 0.350 176.520 176.117 0.089 0.000 0.989 198 I CA 0.010 61.401 61.300 0.151 0.000 1.188 198 I CB 1.324 39.420 38.000 0.161 0.000 1.342 198 I HN 0.826 nan 8.210 nan 0.000 0.457 199 T N 2.079 116.673 114.554 0.067 0.000 2.907 199 T HA 0.720 5.070 4.350 -0.000 0.000 0.290 199 T C -0.676 174.047 174.700 0.038 0.000 1.066 199 T CA -0.591 61.539 62.100 0.049 0.000 1.012 199 T CB 1.739 70.635 68.868 0.046 0.000 1.184 199 T HN 1.107 nan 8.240 nan 0.000 0.522 200 Q N 0.868 120.687 119.800 0.031 0.000 2.321 200 Q HA 0.612 4.952 4.340 -0.000 0.000 0.270 200 Q C -0.898 175.115 176.000 0.022 0.000 1.032 200 Q CA -1.048 54.770 55.803 0.024 0.000 0.784 200 Q CB 1.848 30.600 28.738 0.022 0.000 1.264 200 Q HN 1.067 nan 8.270 nan 0.000 0.448 201 A N 3.456 126.287 122.820 0.019 0.000 2.450 201 A HA 0.119 4.439 4.320 -0.000 0.000 0.255 201 A C 0.494 178.087 177.584 0.015 0.000 1.096 201 A CA -0.124 51.923 52.037 0.017 0.000 0.778 201 A CB 0.504 19.513 19.000 0.016 0.000 1.031 201 A HN 0.888 nan 8.150 nan 0.000 0.494 202 Q N 0.970 120.779 119.800 0.015 0.000 2.402 202 Q HA 0.047 4.387 4.340 -0.000 0.000 0.206 202 Q C 0.001 176.008 176.000 0.011 0.000 0.919 202 Q CA 0.553 56.364 55.803 0.013 0.000 0.923 202 Q CB 0.119 28.866 28.738 0.013 0.000 1.048 202 Q HN 0.953 nan 8.270 nan 0.000 0.515 203 N N -0.705 118.001 118.700 0.011 0.000 2.525 203 N HA 0.183 4.923 4.740 -0.000 0.000 0.270 203 N C -1.090 174.425 175.510 0.009 0.000 1.321 203 N CA -0.430 52.626 53.050 0.010 0.000 0.797 203 N CB 1.070 39.562 38.487 0.009 0.000 1.529 203 N HN -0.356 nan 8.380 nan 0.000 0.491 204 T N 0.409 114.967 114.554 0.008 0.000 2.780 204 T HA 0.701 5.051 4.350 -0.000 0.000 0.294 204 T C -0.334 174.371 174.700 0.007 0.000 0.949 204 T CA -0.136 61.969 62.100 0.008 0.000 1.074 204 T CB 0.367 69.238 68.868 0.006 0.000 0.910 204 T HN 0.776 nan 8.240 nan 0.000 0.501 205 A N 2.583 125.408 122.820 0.008 0.000 2.606 205 A HA 0.811 5.131 4.320 -0.000 0.000 0.293 205 A C -0.114 177.475 177.584 0.008 0.000 1.082 205 A CA -0.978 51.064 52.037 0.008 0.000 0.685 205 A CB 1.656 20.662 19.000 0.009 0.000 1.284 205 A HN 0.737 nan 8.150 nan 0.000 0.408 206 T N 0.162 114.720 114.554 0.007 0.000 2.786 206 T HA 0.653 5.003 4.350 -0.000 0.000 0.283 206 T C -0.273 174.431 174.700 0.007 0.000 0.992 206 T CA -0.406 61.698 62.100 0.007 0.000 0.954 206 T CB -0.152 68.720 68.868 0.006 0.000 0.934 206 T HN 1.312 nan 8.240 nan 0.000 0.440 207 I N 1.476 122.050 120.570 0.007 0.000 2.562 207 I HA 0.905 5.075 4.170 -0.000 0.000 0.301 207 I C 0.589 176.709 176.117 0.004 0.000 1.003 207 I CA -1.223 60.080 61.300 0.005 0.000 1.127 207 I CB 1.591 39.594 38.000 0.005 0.000 1.304 207 I HN 0.733 nan 8.210 nan 0.000 0.446 208 G N 2.622 111.422 108.800 0.000 0.000 2.531 208 G HA2 0.570 4.530 3.960 -0.000 0.000 0.281 208 G HA3 0.570 4.530 3.960 -0.000 0.000 0.281 208 G C -0.431 174.461 174.900 -0.014 0.000 1.382 208 G CA -0.033 45.066 45.100 -0.002 0.000 1.045 208 G HN 1.001 nan 8.290 nan 0.000 0.533 209 E N -0.537 119.650 120.200 -0.021 0.000 2.283 209 E HA 0.503 4.853 4.350 -0.000 0.000 0.278 209 E C 0.518 177.042 176.600 -0.127 0.000 1.027 209 E CA -0.654 55.706 56.400 -0.066 0.000 0.843 209 E CB 0.032 29.719 29.700 -0.021 0.000 1.062 209 E HN 0.592 nan 8.360 nan 0.000 0.401 210 R N 1.196 121.570 120.500 -0.209 0.000 3.022 210 R HA -0.125 4.215 4.340 -0.000 0.000 0.248 210 R C -0.407 175.845 176.300 -0.081 0.000 0.874 210 R CA 0.528 56.519 56.100 -0.183 0.000 0.626 210 R CB -1.357 28.771 30.300 -0.287 0.000 1.255 210 R HN 0.505 nan 8.270 nan 0.000 0.496 211 K N 1.651 122.023 120.400 -0.047 0.000 2.123 211 K HA 0.224 4.544 4.320 -0.000 0.000 0.248 211 K C 0.628 177.216 176.600 -0.019 0.000 0.969 211 K CA -1.005 55.266 56.287 -0.025 0.000 0.882 211 K CB 0.649 33.140 32.500 -0.015 0.000 1.080 211 K HN 0.269 nan 8.250 nan 0.000 0.441 212 N N 0.737 119.424 118.700 -0.021 0.000 2.371 212 N HA 0.105 4.845 4.740 -0.000 0.000 0.243 212 N C -0.489 175.005 175.510 -0.026 0.000 1.287 212 N CA 0.234 53.264 53.050 -0.033 0.000 0.911 212 N CB 0.418 38.881 38.487 -0.039 0.000 1.142 212 N HN 0.442 nan 8.380 nan 0.000 0.451 213 M N 0.111 119.685 119.600 -0.043 0.000 2.501 213 M HA 0.361 4.841 4.480 -0.000 0.000 0.293 213 M C -1.147 175.122 176.300 -0.051 0.000 1.192 213 M CA -0.584 54.698 55.300 -0.029 0.000 0.886 213 M CB 2.239 34.833 32.600 -0.010 0.000 1.710 213 M HN 0.578 nan 8.290 nan 0.000 0.457 214 N N 1.107 119.795 118.700 -0.020 0.000 2.265 214 N HA 0.694 5.434 4.740 -0.000 0.000 0.300 214 N C -1.722 173.797 175.510 0.014 0.000 1.148 214 N CA -0.739 52.307 53.050 -0.006 0.000 0.772 214 N CB 1.991 40.492 38.487 0.023 0.000 1.434 214 N HN 0.324 nan 8.380 nan 0.000 0.481 215 L N 2.352 123.594 121.223 0.031 0.000 2.495 215 L HA 0.441 4.781 4.340 -0.000 0.000 0.248 215 L C -2.452 174.450 176.870 0.053 0.000 1.229 215 L CA -1.933 52.931 54.840 0.041 0.000 0.942 215 L CB 0.498 42.578 42.059 0.035 0.000 1.242 215 L HN 0.402 nan 8.230 nan 0.000 0.484 216 P HA 0.033 nan 4.420 nan 0.000 0.263 216 P C 0.609 177.926 177.300 0.027 0.000 1.175 216 P CA 0.661 63.781 63.100 0.033 0.000 0.761 216 P CB 0.393 32.107 31.700 0.024 0.000 0.794 217 N N 0.674 119.384 118.700 0.016 0.000 2.909 217 N HA -0.143 4.597 4.740 -0.000 0.000 0.242 217 N C -1.135 174.383 175.510 0.014 0.000 0.975 217 N CA 0.929 53.984 53.050 0.007 0.000 0.921 217 N CB -1.159 37.331 38.487 0.006 0.000 1.112 217 N HN 0.148 nan 8.380 nan 0.000 0.581 218 V N 0.741 120.672 119.914 0.029 0.000 2.656 218 V HA 0.320 4.440 4.120 -0.000 0.000 0.307 218 V C 0.354 176.480 176.094 0.053 0.000 1.051 218 V CA -0.967 61.359 62.300 0.043 0.000 0.893 218 V CB 1.822 33.680 31.823 0.059 0.000 0.999 218 V HN 0.178 nan 8.190 nan 0.000 0.426 219 K N 3.461 123.891 120.400 0.051 0.000 2.383 219 K HA 0.360 4.680 4.320 -0.000 0.000 0.286 219 K C -0.772 175.884 176.600 0.093 0.000 1.051 219 K CA -0.226 56.097 56.287 0.060 0.000 0.974 219 K CB 0.869 33.395 32.500 0.043 0.000 0.968 219 K HN 0.478 nan 8.250 nan 0.000 0.475 220 V N 5.854 125.837 119.914 0.114 0.000 2.408 220 V HA 0.040 4.160 4.120 -0.000 0.000 0.267 220 V C 0.244 176.369 176.094 0.051 0.000 1.047 220 V CA -0.419 61.881 62.300 -0.001 0.000 0.937 220 V CB 1.220 32.995 31.823 -0.080 0.000 0.999 220 V HN 0.771 nan 8.190 nan 0.000 0.472 221 Q N 5.789 125.683 119.800 0.156 0.000 3.247 221 Q HA 0.387 4.727 4.340 -0.000 0.000 0.326 221 Q C -0.697 175.395 176.000 0.152 0.000 1.402 221 Q CA 0.191 56.091 55.803 0.162 0.000 0.994 221 Q CB 0.318 29.160 28.738 0.175 0.000 1.647 221 Q HN 0.611 nan 8.270 nan 0.000 0.523 222 L N 1.000 122.253 121.223 0.050 0.000 2.341 222 L HA 0.529 4.869 4.340 -0.000 0.000 0.267 222 L C -2.195 174.662 176.870 -0.022 0.000 1.009 222 L CA -2.320 52.526 54.840 0.009 0.000 0.819 222 L CB 1.770 43.788 42.059 -0.067 0.000 1.323 222 L HN 0.097 nan 8.230 nan 0.000 0.425 223 P HA 0.053 nan 4.420 nan 0.000 0.268 223 P C 0.631 177.898 177.300 -0.056 0.000 1.204 223 P CA -0.326 62.724 63.100 -0.084 0.000 0.768 223 P CB 0.938 32.580 31.700 -0.097 0.000 0.842 224 V N 3.115 122.996 119.914 -0.055 0.000 2.548 224 V HA -0.087 4.033 4.120 -0.000 0.000 0.249 224 V C 1.063 177.171 176.094 0.023 0.000 1.055 224 V CA 1.418 63.725 62.300 0.013 0.000 1.065 224 V CB -0.311 31.536 31.823 0.040 0.000 0.681 224 V HN 0.471 nan 8.190 nan 0.000 0.462 225 I N 0.947 121.524 120.570 0.010 0.000 2.405 225 I HA 0.443 4.613 4.170 -0.000 0.000 0.280 225 I C 0.741 176.886 176.117 0.045 0.000 1.027 225 I CA -0.296 61.048 61.300 0.075 0.000 1.161 225 I CB 0.292 38.427 38.000 0.224 0.000 1.300 225 I HN 0.108 nan 8.210 nan 0.000 0.463 226 G N 4.840 113.659 108.800 0.032 0.000 2.621 226 G HA2 0.233 4.193 3.960 -0.000 0.000 0.271 226 G HA3 0.233 4.193 3.960 -0.000 0.000 0.271 226 G C 0.855 175.794 174.900 0.065 0.000 1.236 226 G CA -0.240 44.877 45.100 0.027 0.000 0.958 226 G HN 0.602 nan 8.290 nan 0.000 0.512 227 E N -0.089 120.145 120.200 0.056 0.000 2.171 227 E HA -0.219 4.131 4.350 -0.000 0.000 0.197 227 E C 2.170 178.828 176.600 0.097 0.000 0.997 227 E CA 1.541 57.985 56.400 0.072 0.000 0.810 227 E CB -0.079 29.646 29.700 0.042 0.000 0.738 227 E HN 0.584 nan 8.360 nan 0.000 0.467 228 K N 1.780 122.231 120.400 0.084 0.000 2.001 228 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 228 K C 1.629 178.327 176.600 0.164 0.000 1.048 228 K CA 1.884 58.245 56.287 0.123 0.000 0.932 228 K CB -0.188 32.364 32.500 0.086 0.000 0.715 228 K HN -0.105 nan 8.250 nan 0.000 0.437 229 D N 0.696 121.162 120.400 0.109 0.000 2.149 229 D HA -0.170 4.470 4.640 -0.000 0.000 0.198 229 D C 1.737 178.089 176.300 0.086 0.000 0.990 229 D CA 1.040 55.088 54.000 0.081 0.000 0.839 229 D CB -0.080 40.754 40.800 0.058 0.000 0.948 229 D HN 0.359 nan 8.370 nan 0.000 0.460 230 K N 0.086 120.558 120.400 0.120 0.000 2.009 230 K HA -0.224 4.096 4.320 -0.000 0.000 0.210 230 K C 2.199 178.885 176.600 0.144 0.000 1.049 230 K CA 1.343 57.705 56.287 0.124 0.000 0.929 230 K CB -0.189 32.396 32.500 0.141 0.000 0.714 230 K HN 0.137 nan 8.250 nan 0.000 0.440 231 H N 1.115 120.239 119.070 0.091 0.000 2.352 231 H HA -0.121 4.435 4.556 -0.000 0.000 0.299 231 H C 1.508 176.968 175.328 0.220 0.000 1.097 231 H CA 2.243 58.370 56.048 0.132 0.000 1.311 231 H CB -0.117 29.710 29.762 0.110 0.000 1.377 231 H HN 0.301 nan 8.280 nan 0.000 0.504 232 D N -0.203 120.294 120.400 0.162 0.000 2.117 232 D HA -0.123 4.517 4.640 -0.000 0.000 0.197 232 D C 2.413 178.609 176.300 -0.173 0.000 0.987 232 D CA 1.377 55.380 54.000 0.005 0.000 0.829 232 D CB -0.228 40.516 40.800 -0.093 0.000 0.961 232 D HN 0.452 nan 8.370 nan 0.000 0.460 233 I N 0.290 120.793 120.570 -0.112 0.000 2.163 233 I HA -0.198 3.972 4.170 -0.000 0.000 0.240 233 I C 2.415 178.498 176.117 -0.057 0.000 1.081 233 I CA 0.741 61.977 61.300 -0.106 0.000 1.353 233 I CB -0.060 37.897 38.000 -0.071 0.000 1.054 233 I HN -0.048 nan 8.210 nan 0.000 0.407 234 L N -0.038 121.172 121.223 -0.022 0.000 2.109 234 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 234 L C 1.306 178.171 176.870 -0.008 0.000 1.086 234 L CA 1.633 56.468 54.840 -0.007 0.000 0.760 234 L CB -0.466 41.608 42.059 0.026 0.000 0.910 234 L HN 0.321 nan 8.230 nan 0.000 0.437 235 N N -2.072 116.608 118.700 -0.032 0.000 2.205 235 N HA 0.073 4.813 4.740 -0.000 0.000 0.201 235 N C 0.824 176.356 175.510 0.037 0.000 1.128 235 N CA -0.004 53.027 53.050 -0.033 0.000 0.867 235 N CB 0.696 39.088 38.487 -0.158 0.000 0.996 235 N HN 0.155 nan 8.380 nan 0.000 0.503 236 F N -0.598 119.254 119.950 -0.164 0.000 2.334 236 F HA 0.340 4.867 4.527 -0.000 0.000 0.269 236 F C 2.143 177.840 175.800 -0.172 0.000 0.879 236 F CA -0.005 57.874 58.000 -0.203 0.000 1.102 236 F CB -0.323 38.416 39.000 -0.436 0.000 1.032 236 F HN -0.083 nan 8.300 nan 0.000 0.782 237 G N 1.873 110.720 108.800 0.078 0.000 2.491 237 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 237 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 237 G C 1.576 176.450 174.900 -0.043 0.000 1.180 237 G CA 1.784 46.886 45.100 0.004 0.000 0.774 237 G HN 0.416 nan 8.290 nan 0.000 0.562 238 I N 1.434 121.975 120.570 -0.048 0.000 2.193 238 I HA -0.054 4.116 4.170 -0.000 0.000 0.240 238 I C -0.075 176.041 176.117 -0.001 0.000 1.084 238 I CA 0.870 62.166 61.300 -0.007 0.000 1.365 238 I CB -0.690 37.313 38.000 0.005 0.000 1.064 238 I HN 0.176 nan 8.210 nan 0.000 0.410 239 P HA -0.080 nan 4.420 nan 0.000 0.217 239 P C 1.534 178.734 177.300 -0.167 0.000 1.151 239 P CA 1.216 64.257 63.100 -0.099 0.000 0.828 239 P CB -0.002 31.633 31.700 -0.108 0.000 0.788 240 M N -1.607 117.809 119.600 -0.307 0.000 2.618 240 M HA 0.225 4.705 4.480 -0.000 0.000 0.240 240 M C 0.891 177.098 176.300 -0.155 0.000 1.123 240 M CA 0.771 55.851 55.300 -0.367 0.000 1.060 240 M CB -1.404 30.669 32.600 -0.878 0.000 1.535 240 M HN 0.096 nan 8.290 nan 0.000 0.507 241 G N 1.501 110.263 108.800 -0.063 0.000 2.298 241 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.287 241 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.287 241 G C -0.035 174.885 174.900 0.034 0.000 1.075 241 G CA -0.268 44.847 45.100 0.026 0.000 0.960 241 G HN 0.504 nan 8.290 nan 0.000 0.502 242 C N -0.183 119.134 119.300 0.028 0.000 2.593 242 C HA 0.325 4.785 4.460 -0.000 0.000 0.409 242 C C 1.868 176.849 174.990 -0.016 0.000 1.304 242 C CA 0.140 59.185 59.018 0.046 0.000 2.007 242 C CB 0.249 28.028 27.740 0.064 0.000 2.614 242 C HN 0.733 nan 8.230 nan 0.000 0.585 243 N N 0.484 119.172 118.700 -0.020 0.000 2.409 243 N HA 0.163 4.903 4.740 -0.000 0.000 0.174 243 N C -0.580 174.706 175.510 -0.373 0.000 1.037 243 N CA 0.716 53.657 53.050 -0.182 0.000 0.898 243 N CB 0.169 38.506 38.487 -0.249 0.000 1.010 243 N HN 0.558 nan 8.380 nan 0.000 0.445 244 F N 0.389 120.376 119.950 0.062 0.000 2.563 244 F HA 0.480 5.007 4.527 -0.000 0.000 0.316 244 F C -0.512 175.274 175.800 -0.023 0.000 1.076 244 F CA -1.098 56.912 58.000 0.017 0.000 0.921 244 F CB 1.595 40.616 39.000 0.034 0.000 1.209 244 F HN -0.235 nan 8.300 nan 0.000 0.462 245 I N 2.535 123.200 120.570 0.158 0.000 2.354 245 I HA 0.369 4.539 4.170 -0.000 0.000 0.286 245 I C -0.066 176.092 176.117 0.068 0.000 1.007 245 I CA -0.872 60.462 61.300 0.057 0.000 1.167 245 I CB 0.956 38.951 38.000 -0.009 0.000 1.320 245 I HN 0.649 nan 8.210 nan 0.000 0.458 246 A N 6.082 128.930 122.820 0.047 0.000 2.415 246 A HA 0.656 4.976 4.320 -0.000 0.000 0.309 246 A C 0.586 178.183 177.584 0.022 0.000 1.356 246 A CA -0.463 51.591 52.037 0.028 0.000 0.998 246 A CB -0.035 18.977 19.000 0.021 0.000 1.145 246 A HN 0.795 nan 8.150 nan 0.000 0.545 247 A N 3.360 126.196 122.820 0.026 0.000 2.350 247 A HA 0.526 4.846 4.320 -0.000 0.000 0.293 247 A C 0.749 178.363 177.584 0.051 0.000 1.231 247 A CA -0.178 51.879 52.037 0.033 0.000 0.883 247 A CB -0.143 18.878 19.000 0.036 0.000 1.133 247 A HN 0.743 nan 8.150 nan 0.000 0.533 248 S N 1.401 117.140 115.700 0.066 0.000 2.549 248 S HA 0.305 4.775 4.470 -0.000 0.000 0.286 248 S C 0.187 174.903 174.600 0.192 0.000 1.314 248 S CA 0.224 58.490 58.200 0.110 0.000 1.062 248 S CB -0.365 62.891 63.200 0.093 0.000 0.865 248 S HN 1.126 nan 8.310 nan 0.000 0.498 249 F N 1.864 121.807 119.950 -0.012 0.000 3.040 249 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 249 F C -0.104 175.686 175.800 -0.017 0.000 0.948 249 F CA -0.088 57.900 58.000 -0.020 0.000 1.022 249 F CB -1.379 37.599 39.000 -0.037 0.000 1.023 249 F HN 0.312 nan 8.300 nan 0.000 0.742 250 V N 2.045 121.945 119.914 -0.023 0.000 2.555 250 V HA 0.031 4.151 4.120 -0.000 0.000 0.286 250 V C 1.078 177.103 176.094 -0.115 0.000 1.044 250 V CA 0.686 62.967 62.300 -0.033 0.000 1.026 250 V CB 1.628 33.442 31.823 -0.014 0.000 0.981 250 V HN 0.496 nan 8.190 nan 0.000 0.480 251 Q N 2.361 122.114 119.800 -0.079 0.000 2.214 251 Q HA 0.245 4.585 4.340 -0.000 0.000 0.229 251 Q C 0.237 176.203 176.000 -0.056 0.000 0.835 251 Q CA 0.163 55.907 55.803 -0.098 0.000 0.953 251 Q CB 1.293 29.985 28.738 -0.076 0.000 1.131 251 Q HN 0.905 nan 8.270 nan 0.000 0.501 252 S N -2.423 113.253 115.700 -0.040 0.000 2.587 252 S HA 0.571 5.040 4.470 -0.000 0.000 0.269 252 S C 0.252 174.832 174.600 -0.033 0.000 1.154 252 S CA -0.349 57.831 58.200 -0.033 0.000 0.824 252 S CB 0.926 64.113 63.200 -0.021 0.000 1.118 252 S HN 0.007 nan 8.310 nan 0.000 0.462 253 A N 0.728 123.526 122.820 -0.037 0.000 1.972 253 A HA -0.036 4.284 4.320 -0.000 0.000 0.219 253 A C 1.598 179.177 177.584 -0.008 0.000 1.169 253 A CA 1.887 53.903 52.037 -0.035 0.000 0.635 253 A CB -1.032 17.943 19.000 -0.041 0.000 0.810 253 A HN 0.832 nan 8.150 nan 0.000 0.446 254 D N 0.233 120.635 120.400 0.002 0.000 2.178 254 D HA -0.119 4.521 4.640 -0.000 0.000 0.201 254 D C 1.149 177.484 176.300 0.057 0.000 0.980 254 D CA 1.226 55.241 54.000 0.026 0.000 0.842 254 D CB -0.292 40.517 40.800 0.016 0.000 0.948 254 D HN 0.385 nan 8.370 nan 0.000 0.472 255 D N 0.059 120.480 120.400 0.034 0.000 2.123 255 D HA -0.113 4.527 4.640 -0.000 0.000 0.196 255 D C 2.286 178.643 176.300 0.095 0.000 0.992 255 D CA 0.529 54.563 54.000 0.056 0.000 0.833 255 D CB -0.223 40.591 40.800 0.023 0.000 0.954 255 D HN 0.116 nan 8.370 nan 0.000 0.455 256 V N 0.679 120.620 119.914 0.045 0.000 2.379 256 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 256 V C 2.444 178.557 176.094 0.032 0.000 1.044 256 V CA 1.318 63.634 62.300 0.026 0.000 1.036 256 V CB -0.380 31.433 31.823 -0.016 0.000 0.664 256 V HN 0.094 nan 8.190 nan 0.000 0.453 257 R N -1.046 119.476 120.500 0.037 0.000 2.096 257 R HA -0.187 4.153 4.340 -0.000 0.000 0.235 257 R C 2.334 178.663 176.300 0.048 0.000 1.127 257 R CA 2.000 58.118 56.100 0.029 0.000 0.968 257 R CB -0.480 29.838 30.300 0.030 0.000 0.861 257 R HN 0.661 nan 8.270 nan 0.000 0.440 258 Y N 1.448 121.740 120.300 -0.014 0.000 2.145 258 Y HA -0.196 4.354 4.550 -0.000 0.000 0.286 258 Y C 1.965 177.859 175.900 -0.011 0.000 1.145 258 Y CA 1.522 59.616 58.100 -0.009 0.000 1.148 258 Y CB -0.245 38.213 38.460 -0.004 0.000 0.981 258 Y HN -0.095 nan 8.280 nan 0.000 0.507 259 I N 0.281 120.887 120.570 0.061 0.000 2.118 259 I HA -0.374 3.796 4.170 -0.000 0.000 0.241 259 I C 2.712 178.759 176.117 -0.116 0.000 1.070 259 I CA 2.001 63.282 61.300 -0.032 0.000 1.327 259 I CB -0.520 37.508 38.000 0.046 0.000 1.034 259 I HN 0.157 nan 8.210 nan 0.000 0.405 260 R N 0.983 121.436 120.500 -0.079 0.000 2.120 260 R HA -0.138 4.202 4.340 -0.000 0.000 0.234 260 R C 2.292 178.523 176.300 -0.114 0.000 1.123 260 R CA 1.511 57.560 56.100 -0.085 0.000 0.975 260 R CB -0.434 29.830 30.300 -0.059 0.000 0.866 260 R HN 0.466 nan 8.270 nan 0.000 0.446 261 G N 0.749 109.457 108.800 -0.154 0.000 2.408 261 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 261 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 261 G C 1.261 176.027 174.900 -0.224 0.000 1.150 261 G CA 0.383 45.380 45.100 -0.172 0.000 0.776 261 G HN 0.271 nan 8.290 nan 0.000 0.542 262 L N 0.355 121.373 121.223 -0.342 0.000 2.012 262 L HA 0.053 4.393 4.340 -0.000 0.000 0.210 262 L C 2.785 179.561 176.870 -0.157 0.000 1.073 262 L CA 1.359 56.021 54.840 -0.296 0.000 0.748 262 L CB -0.345 41.503 42.059 -0.351 0.000 0.891 262 L HN 0.190 nan 8.230 nan 0.000 0.431 263 L N -0.861 120.281 121.223 -0.136 0.000 2.046 263 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 263 L C 1.568 178.393 176.870 -0.075 0.000 1.077 263 L CA 0.746 55.526 54.840 -0.100 0.000 0.747 263 L CB -1.219 40.776 42.059 -0.107 0.000 0.896 263 L HN 0.585 nan 8.230 nan 0.000 0.432 264 G N -0.355 108.399 108.800 -0.076 0.000 2.633 264 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.263 264 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.263 264 G C -1.749 173.134 174.900 -0.028 0.000 1.310 264 G CA -0.017 45.052 45.100 -0.052 0.000 0.914 264 G HN 0.190 nan 8.290 nan 0.000 0.569 265 P HA -0.002 nan 4.420 nan 0.000 0.221 265 P C 1.957 179.274 177.300 0.029 0.000 1.150 265 P CA 2.759 65.862 63.100 0.005 0.000 0.800 265 P CB -0.247 31.453 31.700 0.001 0.000 0.787 266 R N 0.655 121.170 120.500 0.025 0.000 2.189 266 R HA 0.104 4.444 4.340 -0.000 0.000 0.218 266 R C 2.201 178.567 176.300 0.110 0.000 1.074 266 R CA 1.588 57.722 56.100 0.056 0.000 0.991 266 R CB -1.895 28.424 30.300 0.031 0.000 0.883 266 R HN 0.409 nan 8.270 nan 0.000 0.457 267 G N -0.767 108.048 108.800 0.025 0.000 3.805 267 G HA2 0.165 4.125 3.960 -0.000 0.000 0.290 267 G HA3 0.165 4.125 3.960 -0.000 0.000 0.290 267 G C 1.096 175.929 174.900 -0.112 0.000 1.077 267 G CA -0.166 44.876 45.100 -0.096 0.000 0.852 267 G HN 0.441 nan 8.290 nan 0.000 0.531 268 R N 0.645 121.162 120.500 0.028 0.000 2.117 268 R HA -0.141 4.199 4.340 -0.000 0.000 0.243 268 R C 2.052 178.376 176.300 0.039 0.000 1.143 268 R CA 1.629 57.749 56.100 0.033 0.000 0.968 268 R CB -0.226 30.118 30.300 0.074 0.000 0.863 268 R HN 0.667 nan 8.270 nan 0.000 0.444 269 H N -0.602 118.467 119.070 -0.001 0.000 2.556 269 H HA 0.146 4.702 4.556 -0.000 0.000 0.268 269 H C 0.349 175.731 175.328 0.089 0.000 0.996 269 H CA 0.228 56.302 56.048 0.044 0.000 1.157 269 H CB -0.211 29.546 29.762 -0.009 0.000 1.355 269 H HN 0.112 nan 8.280 nan 0.000 0.597 270 I N 2.652 123.031 120.570 -0.318 0.000 2.354 270 I HA 0.289 4.459 4.170 -0.000 0.000 0.292 270 I C 0.028 176.007 176.117 -0.231 0.000 0.989 270 I CA -0.893 60.231 61.300 -0.293 0.000 1.188 270 I CB 1.556 39.341 38.000 -0.358 0.000 1.342 270 I HN -0.087 nan 8.210 nan 0.000 0.457 271 R N 6.126 126.449 120.500 -0.296 0.000 2.598 271 R HA 0.647 4.987 4.340 -0.000 0.000 0.279 271 R C -0.676 175.645 176.300 0.035 0.000 0.984 271 R CA -0.864 55.117 56.100 -0.199 0.000 0.999 271 R CB 1.773 31.867 30.300 -0.343 0.000 1.114 271 R HN 0.551 nan 8.270 nan 0.000 0.493 272 I N 3.365 123.955 120.570 0.034 0.000 2.362 272 I HA 0.294 4.464 4.170 -0.000 0.000 0.289 272 I C -0.009 176.140 176.117 0.054 0.000 0.994 272 I CA -0.570 60.756 61.300 0.042 0.000 1.158 272 I CB 1.299 39.297 38.000 -0.004 0.000 1.315 272 I HN 0.185 nan 8.210 nan 0.000 0.451 273 I N 8.017 128.621 120.570 0.057 0.000 2.460 273 I HA 0.342 4.512 4.170 -0.000 0.000 0.277 273 I C -2.410 173.712 176.117 0.009 0.000 1.057 273 I CA -2.429 58.880 61.300 0.015 0.000 1.179 273 I CB 0.542 38.525 38.000 -0.029 0.000 1.329 273 I HN 0.140 nan 8.210 nan 0.000 0.478 274 P HA 0.101 nan 4.420 nan 0.000 0.268 274 P C -0.397 176.911 177.300 0.015 0.000 1.205 274 P CA 0.013 63.115 63.100 0.003 0.000 0.771 274 P CB 0.627 32.316 31.700 -0.019 0.000 0.858 275 K N 3.263 123.675 120.400 0.020 0.000 2.227 275 K HA 0.358 4.678 4.320 -0.000 0.000 0.280 275 K C -0.234 176.368 176.600 0.002 0.000 1.041 275 K CA -0.573 55.728 56.287 0.023 0.000 0.905 275 K CB 0.774 33.297 32.500 0.039 0.000 1.068 275 K HN 0.347 nan 8.250 nan 0.000 0.470 276 I N 3.897 124.473 120.570 0.010 0.000 2.291 276 I HA 0.090 4.260 4.170 -0.000 0.000 0.290 276 I C 0.637 176.719 176.117 -0.057 0.000 1.050 276 I CA 0.369 61.658 61.300 -0.019 0.000 1.245 276 I CB 0.618 38.649 38.000 0.051 0.000 1.405 276 I HN 0.790 nan 8.210 nan 0.000 0.478 277 E N 3.816 123.934 120.200 -0.137 0.000 2.508 277 E HA 0.056 4.406 4.350 -0.000 0.000 0.217 277 E C 0.085 176.592 176.600 -0.156 0.000 0.896 277 E CA -0.042 56.299 56.400 -0.097 0.000 1.118 277 E CB 0.773 30.486 29.700 0.021 0.000 1.133 277 E HN 0.711 nan 8.360 nan 0.000 0.526 278 N N -1.086 117.428 118.700 -0.310 0.000 2.697 278 N HA 0.094 4.834 4.740 -0.000 0.000 0.272 278 N C 0.727 176.132 175.510 -0.175 0.000 1.381 278 N CA -0.564 52.340 53.050 -0.243 0.000 0.797 278 N CB 1.123 39.393 38.487 -0.361 0.000 1.523 278 N HN -0.251 nan 8.380 nan 0.000 0.518 279 V N 0.210 120.059 119.914 -0.109 0.000 2.287 279 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 279 V C 2.416 178.462 176.094 -0.080 0.000 1.053 279 V CA 2.462 64.716 62.300 -0.077 0.000 1.027 279 V CB -0.945 30.850 31.823 -0.045 0.000 0.646 279 V HN 0.827 nan 8.190 nan 0.000 0.447 280 E N 0.797 120.939 120.200 -0.098 0.000 2.097 280 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 280 E C 2.204 178.747 176.600 -0.095 0.000 1.000 280 E CA 1.752 58.100 56.400 -0.087 0.000 0.804 280 E CB -0.896 28.751 29.700 -0.087 0.000 0.740 280 E HN 0.512 nan 8.360 nan 0.000 0.454 281 G N 0.616 109.323 108.800 -0.155 0.000 2.421 281 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 281 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 281 G C 1.626 176.525 174.900 -0.002 0.000 1.171 281 G CA 0.867 45.902 45.100 -0.109 0.000 0.775 281 G HN 0.285 nan 8.290 nan 0.000 0.543 282 L N 0.195 121.403 121.223 -0.025 0.000 1.989 282 L HA -0.126 4.214 4.340 -0.000 0.000 0.211 282 L C 3.065 179.957 176.870 0.036 0.000 1.071 282 L CA 1.018 55.858 54.840 0.000 0.000 0.749 282 L CB -0.556 41.463 42.059 -0.067 0.000 0.890 282 L HN 0.120 nan 8.230 nan 0.000 0.431 283 V N -0.123 119.792 119.914 0.001 0.000 2.407 283 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 283 V C 1.712 177.822 176.094 0.026 0.000 1.055 283 V CA 1.616 63.920 62.300 0.006 0.000 1.049 283 V CB -0.578 31.238 31.823 -0.013 0.000 0.662 283 V HN 0.518 nan 8.190 nan 0.000 0.455 284 N N -0.873 117.840 118.700 0.023 0.000 2.314 284 N HA 0.038 4.778 4.740 -0.000 0.000 0.200 284 N C 1.398 176.922 175.510 0.022 0.000 1.135 284 N CA 0.135 53.191 53.050 0.009 0.000 0.835 284 N CB 0.126 38.601 38.487 -0.021 0.000 0.989 284 N HN 0.476 nan 8.380 nan 0.000 0.478 285 F N 2.685 122.602 119.950 -0.056 0.000 2.065 285 F HA -0.234 4.293 4.527 -0.000 0.000 0.298 285 F C 1.821 177.595 175.800 -0.043 0.000 1.112 285 F CA 1.693 59.660 58.000 -0.054 0.000 1.212 285 F CB 0.045 39.011 39.000 -0.058 0.000 0.975 285 F HN 0.009 nan 8.300 nan 0.000 0.476 286 D N 0.088 120.452 120.400 -0.060 0.000 2.144 286 D HA -0.157 4.483 4.640 -0.000 0.000 0.200 286 D C 2.144 178.328 176.300 -0.192 0.000 0.978 286 D CA 1.465 55.379 54.000 -0.143 0.000 0.833 286 D CB -0.432 40.367 40.800 -0.003 0.000 0.961 286 D HN 0.534 nan 8.370 nan 0.000 0.470 287 E N 1.090 121.209 120.200 -0.135 0.000 2.112 287 E HA -0.082 4.268 4.350 -0.000 0.000 0.190 287 E C 2.514 179.024 176.600 -0.150 0.000 0.979 287 E CA 0.217 56.548 56.400 -0.115 0.000 0.814 287 E CB -0.531 29.130 29.700 -0.066 0.000 0.762 287 E HN 0.346 nan 8.360 nan 0.000 0.460 288 I N 1.113 121.567 120.570 -0.193 0.000 2.163 288 I HA -0.267 3.903 4.170 -0.000 0.000 0.243 288 I C 2.596 178.542 176.117 -0.285 0.000 1.085 288 I CA 0.948 62.121 61.300 -0.211 0.000 1.347 288 I CB -0.306 37.569 38.000 -0.207 0.000 1.044 288 I HN 0.072 nan 8.210 nan 0.000 0.408 289 L N 1.288 122.222 121.223 -0.481 0.000 2.083 289 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 289 L C 2.531 179.260 176.870 -0.236 0.000 1.083 289 L CA 2.070 56.636 54.840 -0.458 0.000 0.752 289 L CB -0.846 40.803 42.059 -0.684 0.000 0.899 289 L HN 0.179 nan 8.230 nan 0.000 0.433 290 A N -0.806 121.899 122.820 -0.191 0.000 1.908 290 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 290 A C 2.163 179.692 177.584 -0.092 0.000 1.181 290 A CA 1.772 53.739 52.037 -0.116 0.000 0.627 290 A CB -0.531 18.414 19.000 -0.092 0.000 0.818 290 A HN 0.550 nan 8.150 nan 0.000 0.445 291 E N 0.013 120.156 120.200 -0.095 0.000 2.216 291 E HA 0.139 4.489 4.350 -0.000 0.000 0.192 291 E C 1.140 177.700 176.600 -0.067 0.000 0.988 291 E CA 0.675 57.034 56.400 -0.069 0.000 0.834 291 E CB -0.488 29.177 29.700 -0.057 0.000 0.772 291 E HN 0.563 nan 8.360 nan 0.000 0.479 292 A N 1.566 124.334 122.820 -0.088 0.000 2.386 292 A HA 0.050 4.370 4.320 -0.000 0.000 0.248 292 A C 0.668 178.220 177.584 -0.054 0.000 1.082 292 A CA -0.158 51.835 52.037 -0.072 0.000 0.789 292 A CB 0.373 19.313 19.000 -0.099 0.000 1.025 292 A HN -0.080 nan 8.150 nan 0.000 0.490 293 D N 0.201 120.584 120.400 -0.029 0.000 2.333 293 D HA 0.266 4.906 4.640 -0.000 0.000 0.208 293 D C 0.811 177.114 176.300 0.004 0.000 0.984 293 D CA 1.619 55.613 54.000 -0.011 0.000 0.873 293 D CB 0.521 41.322 40.800 0.001 0.000 0.935 293 D HN 0.784 nan 8.370 nan 0.000 0.521 294 G N -0.098 108.697 108.800 -0.008 0.000 2.451 294 G HA2 0.427 4.387 3.960 -0.000 0.000 0.292 294 G HA3 0.427 4.387 3.960 -0.000 0.000 0.292 294 G C -1.902 172.988 174.900 -0.018 0.000 1.427 294 G CA -0.606 44.485 45.100 -0.014 0.000 0.792 294 G HN -0.080 nan 8.290 nan 0.000 0.498 295 I N 0.572 121.142 120.570 -0.000 0.000 2.619 295 I HA 0.504 4.674 4.170 -0.000 0.000 0.292 295 I C -0.443 175.688 176.117 0.024 0.000 1.100 295 I CA -0.685 60.638 61.300 0.039 0.000 1.043 295 I CB 2.004 40.091 38.000 0.145 0.000 1.239 295 I HN 0.671 nan 8.210 nan 0.000 0.420 296 M N 6.770 126.384 119.600 0.023 0.000 2.167 296 M HA 0.549 5.029 4.480 -0.000 0.000 0.333 296 M C -1.310 175.004 176.300 0.024 0.000 1.030 296 M CA -0.474 54.831 55.300 0.009 0.000 0.963 296 M CB 1.237 33.835 32.600 -0.003 0.000 1.589 296 M HN 0.385 nan 8.290 nan 0.000 0.431 297 I N 4.786 125.363 120.570 0.012 0.000 2.312 297 I HA 0.347 4.517 4.170 -0.000 0.000 0.291 297 I C 0.121 176.236 176.117 -0.002 0.000 1.031 297 I CA -0.436 60.862 61.300 -0.004 0.000 1.293 297 I CB 1.430 39.413 38.000 -0.028 0.000 1.403 297 I HN 0.784 nan 8.210 nan 0.000 0.484 298 A N 6.487 129.307 122.820 -0.000 0.000 2.736 298 A HA 0.433 4.753 4.320 -0.000 0.000 0.335 298 A C 1.075 178.661 177.584 0.004 0.000 1.446 298 A CA -0.577 51.466 52.037 0.010 0.000 1.028 298 A CB -0.005 19.010 19.000 0.026 0.000 1.154 298 A HN 0.806 nan 8.150 nan 0.000 0.507 299 R N 1.568 122.069 120.500 0.002 0.000 2.073 299 R HA -0.111 4.229 4.340 -0.000 0.000 0.234 299 R C 2.363 178.668 176.300 0.009 0.000 1.134 299 R CA 2.124 58.225 56.100 0.001 0.000 0.952 299 R CB -0.396 29.907 30.300 0.006 0.000 0.850 299 R HN 0.698 nan 8.270 nan 0.000 0.433 300 G N 0.912 109.722 108.800 0.016 0.000 2.491 300 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.218 300 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.218 300 G C 0.748 175.663 174.900 0.025 0.000 1.180 300 G CA 1.550 46.663 45.100 0.021 0.000 0.774 300 G HN 0.303 nan 8.290 nan 0.000 0.562 301 D N 0.353 120.772 120.400 0.033 0.000 2.104 301 D HA -0.101 4.539 4.640 -0.000 0.000 0.194 301 D C 2.512 178.830 176.300 0.030 0.000 0.994 301 D CA 0.696 54.724 54.000 0.047 0.000 0.830 301 D CB -0.261 40.580 40.800 0.068 0.000 0.959 301 D HN 0.284 nan 8.370 nan 0.000 0.452 302 L N 0.409 121.635 121.223 0.006 0.000 2.079 302 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 302 L C 2.514 179.381 176.870 -0.006 0.000 1.081 302 L CA 1.275 56.106 54.840 -0.015 0.000 0.752 302 L CB -0.693 41.344 42.059 -0.036 0.000 0.896 302 L HN 0.180 nan 8.230 nan 0.000 0.433 303 G N -0.699 108.103 108.800 0.005 0.000 2.498 303 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 303 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 303 G C 1.570 176.479 174.900 0.014 0.000 1.119 303 G CA 0.264 45.370 45.100 0.010 0.000 0.766 303 G HN 0.167 nan 8.290 nan 0.000 0.552 304 M N 0.197 119.809 119.600 0.019 0.000 2.349 304 M HA 0.085 4.565 4.480 -0.000 0.000 0.266 304 M C 1.868 178.181 176.300 0.021 0.000 1.076 304 M CA 0.957 56.271 55.300 0.024 0.000 1.126 304 M CB -0.353 32.269 32.600 0.036 0.000 1.392 304 M HN 0.289 nan 8.290 nan 0.000 0.440 305 E N -0.267 119.942 120.200 0.014 0.000 2.473 305 E HA 0.320 4.670 4.350 -0.000 0.000 0.204 305 E C 0.196 176.794 176.600 -0.003 0.000 0.994 305 E CA 0.148 56.553 56.400 0.009 0.000 0.945 305 E CB 1.279 30.982 29.700 0.005 0.000 0.990 305 E HN 0.375 nan 8.360 nan 0.000 0.493 306 I N 1.585 122.151 120.570 -0.006 0.000 2.647 306 I HA 0.262 4.432 4.170 -0.000 0.000 0.295 306 I C -2.583 173.532 176.117 -0.003 0.000 1.078 306 I CA -2.724 58.568 61.300 -0.014 0.000 1.048 306 I CB 2.305 40.286 38.000 -0.031 0.000 1.239 306 I HN -0.292 nan 8.210 nan 0.000 0.421 307 P HA 0.012 nan 4.420 nan 0.000 0.264 307 P C -1.952 175.361 177.300 0.022 0.000 1.183 307 P CA -0.762 62.344 63.100 0.010 0.000 0.763 307 P CB 0.022 31.728 31.700 0.010 0.000 0.807 308 P HA -0.213 nan 4.420 nan 0.000 0.216 308 P C 1.022 178.379 177.300 0.095 0.000 1.150 308 P CA 1.522 64.651 63.100 0.048 0.000 0.837 308 P CB -0.163 31.559 31.700 0.038 0.000 0.786 309 E N 0.741 121.000 120.200 0.100 0.000 2.533 309 E HA -0.121 4.229 4.350 -0.000 0.000 0.201 309 E C 1.018 177.734 176.600 0.192 0.000 1.097 309 E CA 0.754 57.262 56.400 0.180 0.000 0.887 309 E CB -0.282 29.490 29.700 0.120 0.000 0.855 309 E HN 0.309 nan 8.360 nan 0.000 0.540 310 K N -0.319 120.117 120.400 0.060 0.000 2.529 310 K HA 0.144 4.464 4.320 -0.000 0.000 0.215 310 K C 1.635 178.136 176.600 -0.165 0.000 1.286 310 K CA 0.221 56.444 56.287 -0.105 0.000 0.997 310 K CB 1.029 33.480 32.500 -0.081 0.000 1.063 310 K HN -0.090 nan 8.250 nan 0.000 0.590 311 V N 1.966 121.853 119.914 -0.045 0.000 2.427 311 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 311 V C 2.060 178.117 176.094 -0.062 0.000 1.051 311 V CA 1.790 64.061 62.300 -0.049 0.000 1.048 311 V CB -0.644 31.183 31.823 0.007 0.000 0.666 311 V HN 0.330 nan 8.190 nan 0.000 0.456 312 F N 0.257 120.179 119.950 -0.047 0.000 2.171 312 F HA -0.111 4.416 4.527 -0.000 0.000 0.300 312 F C 1.995 177.760 175.800 -0.059 0.000 1.090 312 F CA 1.456 59.427 58.000 -0.048 0.000 1.293 312 F CB -0.917 38.060 39.000 -0.038 0.000 1.013 312 F HN 0.048 nan 8.300 nan 0.000 0.486 313 L N 0.830 121.290 121.223 -1.272 0.000 2.017 313 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 313 L C 3.040 179.647 176.870 -0.438 0.000 1.073 313 L CA 1.418 55.698 54.840 -0.935 0.000 0.745 313 L CB -1.138 40.420 42.059 -0.835 0.000 0.894 313 L HN 0.394 nan 8.230 nan 0.000 0.432 314 A N -0.714 121.897 122.820 -0.350 0.000 1.908 314 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 314 A C 2.225 179.656 177.584 -0.255 0.000 1.181 314 A CA 2.006 53.879 52.037 -0.273 0.000 0.627 314 A CB -0.613 18.256 19.000 -0.219 0.000 0.818 314 A HN 0.542 nan 8.150 nan 0.000 0.445 315 Q N -0.235 119.454 119.800 -0.185 0.000 2.020 315 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 315 Q C 2.052 177.975 176.000 -0.127 0.000 0.982 315 Q CA 1.879 57.605 55.803 -0.129 0.000 0.838 315 Q CB -0.183 28.528 28.738 -0.046 0.000 0.899 315 Q HN 0.655 nan 8.270 nan 0.000 0.423 316 K N -0.091 120.245 120.400 -0.106 0.000 2.020 316 K HA -0.194 4.126 4.320 -0.000 0.000 0.212 316 K C 2.206 178.737 176.600 -0.114 0.000 1.050 316 K CA 2.078 58.318 56.287 -0.078 0.000 0.929 316 K CB -0.193 32.274 32.500 -0.056 0.000 0.714 316 K HN 0.331 nan 8.250 nan 0.000 0.443 317 M N 0.040 119.536 119.600 -0.172 0.000 2.086 317 M HA -0.163 4.317 4.480 -0.000 0.000 0.261 317 M C 2.343 178.507 176.300 -0.226 0.000 1.067 317 M CA 1.628 56.821 55.300 -0.179 0.000 1.116 317 M CB -0.219 32.258 32.600 -0.205 0.000 1.348 317 M HN 0.181 nan 8.290 nan 0.000 0.407 318 M N -0.138 119.232 119.600 -0.382 0.000 2.117 318 M HA -0.187 4.293 4.480 -0.000 0.000 0.262 318 M C 2.108 178.320 176.300 -0.148 0.000 1.065 318 M CA 1.582 56.544 55.300 -0.563 0.000 1.114 318 M CB -0.464 31.659 32.600 -0.794 0.000 1.361 318 M HN 0.273 nan 8.290 nan 0.000 0.408 319 I N 0.046 120.553 120.570 -0.105 0.000 2.202 319 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 319 I C 2.750 178.862 176.117 -0.009 0.000 1.091 319 I CA 1.198 62.481 61.300 -0.029 0.000 1.368 319 I CB -0.660 37.322 38.000 -0.031 0.000 1.058 319 I HN 0.246 nan 8.210 nan 0.000 0.410 320 A N 1.029 123.831 122.820 -0.029 0.000 1.892 320 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 320 A C 2.300 179.888 177.584 0.007 0.000 1.188 320 A CA 2.042 54.068 52.037 -0.019 0.000 0.631 320 A CB -0.567 18.414 19.000 -0.031 0.000 0.822 320 A HN 0.357 nan 8.150 nan 0.000 0.447 321 K N -1.131 119.294 120.400 0.041 0.000 2.148 321 K HA -0.095 4.225 4.320 -0.000 0.000 0.204 321 K C 2.029 178.694 176.600 0.108 0.000 1.050 321 K CA 1.262 57.614 56.287 0.107 0.000 0.942 321 K CB -0.399 32.256 32.500 0.258 0.000 0.724 321 K HN 0.584 nan 8.250 nan 0.000 0.446 322 C N 0.995 120.369 119.300 0.123 0.000 2.446 322 C HA -0.051 4.409 4.460 -0.000 0.000 0.277 322 C C 2.162 177.165 174.990 0.021 0.000 1.275 322 C CA 0.668 59.735 59.018 0.081 0.000 1.727 322 C CB -1.177 26.623 27.740 0.099 0.000 2.010 322 C HN 0.547 nan 8.230 nan 0.000 0.486 323 N N 0.862 119.566 118.700 0.006 0.000 2.043 323 N HA -0.151 4.589 4.740 -0.000 0.000 0.193 323 N C 1.459 176.931 175.510 -0.063 0.000 1.037 323 N CA 1.388 54.420 53.050 -0.031 0.000 0.851 323 N CB -0.251 38.216 38.487 -0.034 0.000 1.027 323 N HN 0.264 nan 8.380 nan 0.000 0.422 324 V N 0.497 120.383 119.914 -0.047 0.000 2.867 324 V HA -0.096 4.024 4.120 -0.000 0.000 0.260 324 V C 1.647 177.705 176.094 -0.060 0.000 1.099 324 V CA 1.112 63.374 62.300 -0.063 0.000 1.122 324 V CB 0.030 31.833 31.823 -0.033 0.000 0.708 324 V HN 0.217 nan 8.190 nan 0.000 0.490 325 V N -0.409 119.481 119.914 -0.041 0.000 3.528 325 V HA 0.437 4.557 4.120 -0.000 0.000 0.294 325 V C 1.506 177.580 176.094 -0.035 0.000 1.404 325 V CA 0.966 63.246 62.300 -0.033 0.000 1.065 325 V CB 0.340 32.149 31.823 -0.022 0.000 0.904 325 V HN 0.653 nan 8.190 nan 0.000 0.435 326 G N 1.411 110.182 108.800 -0.048 0.000 2.176 326 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.252 326 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.252 326 G C 0.086 174.981 174.900 -0.009 0.000 1.024 326 G CA 0.592 45.669 45.100 -0.038 0.000 0.755 326 G HN 0.521 nan 8.290 nan 0.000 0.507 327 K N 1.087 121.483 120.400 -0.006 0.000 2.182 327 K HA 0.497 4.817 4.320 -0.000 0.000 0.262 327 K C -2.245 174.360 176.600 0.010 0.000 0.957 327 K CA -2.116 54.173 56.287 0.003 0.000 0.842 327 K CB 2.090 34.585 32.500 -0.009 0.000 1.099 327 K HN 0.016 nan 8.250 nan 0.000 0.438 328 P HA -0.021 nan 4.420 nan 0.000 0.268 328 P C -0.856 176.440 177.300 -0.006 0.000 1.205 328 P CA -0.270 62.832 63.100 0.002 0.000 0.771 328 P CB 0.892 32.586 31.700 -0.011 0.000 0.858 329 V N 4.633 124.546 119.914 -0.001 0.000 2.656 329 V HA 0.475 4.595 4.120 -0.000 0.000 0.307 329 V C -0.519 175.568 176.094 -0.012 0.000 1.051 329 V CA -1.077 61.225 62.300 0.004 0.000 0.893 329 V CB 1.458 33.300 31.823 0.031 0.000 0.999 329 V HN 0.297 nan 8.190 nan 0.000 0.426 330 I N 5.332 125.889 120.570 -0.021 0.000 2.339 330 I HA 0.386 4.556 4.170 -0.000 0.000 0.290 330 I C 0.067 176.179 176.117 -0.008 0.000 0.994 330 I CA -0.318 60.968 61.300 -0.024 0.000 1.191 330 I CB 1.957 39.927 38.000 -0.050 0.000 1.343 330 I HN 0.489 nan 8.210 nan 0.000 0.458 331 T N 5.913 120.465 114.554 -0.003 0.000 2.728 331 T HA 0.627 4.977 4.350 -0.000 0.000 0.296 331 T C 0.065 174.767 174.700 0.004 0.000 0.940 331 T CA -0.418 61.681 62.100 -0.000 0.000 1.013 331 T CB 1.069 69.938 68.868 0.001 0.000 0.912 331 T HN 0.711 nan 8.240 nan 0.000 0.484 332 A N 3.220 126.044 122.820 0.006 0.000 2.430 332 A HA 0.984 5.304 4.320 -0.000 0.000 0.300 332 A C 0.345 177.938 177.584 0.015 0.000 1.124 332 A CA -0.415 51.629 52.037 0.012 0.000 0.766 332 A CB 0.954 19.963 19.000 0.015 0.000 1.328 332 A HN 1.629 nan 8.150 nan 0.000 0.424 333 T N -1.412 113.154 114.554 0.020 0.000 0.541 333 T HA -0.170 4.180 4.350 -0.000 0.000 0.774 333 T C -0.004 174.706 174.700 0.016 0.000 0.992 333 T CA 1.183 63.296 62.100 0.022 0.000 4.077 333 T CB -1.698 67.185 68.868 0.025 0.000 2.303 333 T HN 2.232 nan 8.240 nan 0.000 0.398 334 Q N 0.817 120.626 119.800 0.016 0.000 2.451 334 Q HA -0.239 4.101 4.340 -0.000 0.000 0.305 334 Q C 0.906 176.909 176.000 0.006 0.000 1.345 334 Q CA 1.153 56.962 55.803 0.011 0.000 0.854 334 Q CB -0.895 27.850 28.738 0.011 0.000 1.162 334 Q HN 0.661 nan 8.270 nan 0.000 0.440 335 M N -0.614 118.990 119.600 0.006 0.000 2.257 335 M HA 0.130 4.610 4.480 -0.000 0.000 0.229 335 M C 1.137 177.432 176.300 -0.007 0.000 1.199 335 M CA 1.344 56.644 55.300 0.000 0.000 1.186 335 M CB -0.123 32.479 32.600 0.003 0.000 1.164 335 M HN 0.364 nan 8.290 nan 0.000 0.456 336 L N 0.049 121.268 121.223 -0.007 0.000 3.083 336 L HA 0.229 4.569 4.340 -0.000 0.000 0.286 336 L C 1.029 177.897 176.870 -0.004 0.000 1.307 336 L CA -0.250 54.581 54.840 -0.014 0.000 0.897 336 L CB 0.479 42.524 42.059 -0.023 0.000 1.306 336 L HN 0.258 nan 8.230 nan 0.000 0.569 337 E N 1.020 121.221 120.200 0.001 0.000 2.130 337 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 337 E C 2.234 178.841 176.600 0.012 0.000 0.998 337 E CA 1.909 58.314 56.400 0.009 0.000 0.806 337 E CB 0.232 29.937 29.700 0.008 0.000 0.738 337 E HN 0.578 nan 8.360 nan 0.000 0.459 338 S N -0.409 115.293 115.700 0.003 0.000 2.442 338 S HA -0.157 4.313 4.470 -0.000 0.000 0.236 338 S C 1.801 176.413 174.600 0.020 0.000 1.007 338 S CA 1.020 59.223 58.200 0.005 0.000 0.965 338 S CB -0.246 62.947 63.200 -0.011 0.000 0.773 338 S HN 0.259 nan 8.310 nan 0.000 0.504 339 M N 0.499 120.109 119.600 0.017 0.000 2.659 339 M HA 0.221 4.701 4.480 -0.000 0.000 0.243 339 M C 1.492 177.882 176.300 0.149 0.000 1.111 339 M CA 0.411 55.738 55.300 0.044 0.000 1.070 339 M CB -0.551 32.049 32.600 -0.000 0.000 1.525 339 M HN 0.340 nan 8.290 nan 0.000 0.517 340 I N 0.533 121.162 120.570 0.098 0.000 2.264 340 I HA -0.320 3.850 4.170 -0.000 0.000 0.248 340 I C 2.175 178.369 176.117 0.128 0.000 1.111 340 I CA 1.615 62.968 61.300 0.087 0.000 1.382 340 I CB -0.126 37.896 38.000 0.038 0.000 1.060 340 I HN 0.301 nan 8.210 nan 0.000 0.418 341 K N -0.805 119.689 120.400 0.158 0.000 2.435 341 K HA 0.190 4.510 4.320 -0.000 0.000 0.199 341 K C -0.083 176.719 176.600 0.338 0.000 1.153 341 K CA -0.009 56.392 56.287 0.190 0.000 0.974 341 K CB 0.615 33.169 32.500 0.090 0.000 0.997 341 K HN 0.208 nan 8.250 nan 0.000 0.547 342 N N 1.816 120.635 118.700 0.198 0.000 2.362 342 N HA 0.160 4.900 4.740 -0.000 0.000 0.298 342 N C -2.297 172.924 175.510 -0.481 0.000 1.048 342 N CA -1.478 51.555 53.050 -0.028 0.000 0.858 342 N CB 1.771 40.224 38.487 -0.057 0.000 1.218 342 N HN -0.157 nan 8.380 nan 0.000 0.488 343 P HA -0.024 nan 4.420 nan 0.000 0.230 343 P C -0.241 176.702 177.300 -0.594 0.000 1.158 343 P CA 0.970 63.250 63.100 -1.367 0.000 0.769 343 P CB 0.691 31.795 31.700 -0.993 0.000 0.807 344 R N 0.257 120.537 120.500 -0.366 0.000 2.750 344 R HA 0.513 4.853 4.340 -0.000 0.000 0.281 344 R C -2.570 173.633 176.300 -0.161 0.000 0.972 344 R CA -2.289 53.676 56.100 -0.225 0.000 0.912 344 R CB 1.562 31.759 30.300 -0.171 0.000 1.187 344 R HN -0.020 nan 8.270 nan 0.000 0.464 345 P HA 0.091 nan 4.420 nan 0.000 0.278 345 P C -0.472 176.784 177.300 -0.073 0.000 1.266 345 P CA -0.425 62.621 63.100 -0.089 0.000 0.807 345 P CB 0.811 32.461 31.700 -0.083 0.000 1.094 346 T N -2.050 112.471 114.554 -0.055 0.000 2.849 346 T HA 0.198 4.548 4.350 -0.000 0.000 0.284 346 T C 1.392 176.065 174.700 -0.045 0.000 1.004 346 T CA -0.669 61.403 62.100 -0.047 0.000 1.021 346 T CB 0.763 69.609 68.868 -0.036 0.000 1.013 346 T HN 0.281 nan 8.240 nan 0.000 0.527 347 R N 0.886 121.362 120.500 -0.040 0.000 2.096 347 R HA -0.142 4.198 4.340 -0.000 0.000 0.240 347 R C 2.417 178.696 176.300 -0.035 0.000 1.139 347 R CA 2.060 58.137 56.100 -0.037 0.000 0.952 347 R CB -1.417 28.863 30.300 -0.033 0.000 0.854 347 R HN 0.883 nan 8.270 nan 0.000 0.436 348 A N 0.674 123.474 122.820 -0.033 0.000 1.930 348 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 348 A C 2.069 179.635 177.584 -0.030 0.000 1.175 348 A CA 1.414 53.432 52.037 -0.032 0.000 0.627 348 A CB -0.329 18.654 19.000 -0.029 0.000 0.815 348 A HN 0.484 nan 8.150 nan 0.000 0.443 349 E N -0.178 120.004 120.200 -0.030 0.000 2.051 349 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 349 E C 2.381 178.961 176.600 -0.032 0.000 0.991 349 E CA 0.956 57.338 56.400 -0.029 0.000 0.799 349 E CB -0.316 29.366 29.700 -0.031 0.000 0.748 349 E HN 0.595 nan 8.360 nan 0.000 0.449 350 A N 1.594 124.390 122.820 -0.039 0.000 1.892 350 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 350 A C 2.416 179.981 177.584 -0.032 0.000 1.188 350 A CA 2.053 54.066 52.037 -0.041 0.000 0.631 350 A CB -0.858 18.115 19.000 -0.046 0.000 0.822 350 A HN 0.318 nan 8.150 nan 0.000 0.447 351 A N -0.404 122.398 122.820 -0.031 0.000 1.908 351 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 351 A C 1.844 179.412 177.584 -0.027 0.000 1.181 351 A CA 2.256 54.276 52.037 -0.030 0.000 0.627 351 A CB -0.777 18.203 19.000 -0.034 0.000 0.818 351 A HN 0.581 nan 8.150 nan 0.000 0.445 352 D N -0.728 119.656 120.400 -0.026 0.000 2.097 352 D HA -0.119 4.521 4.640 -0.000 0.000 0.195 352 D C 1.840 178.133 176.300 -0.013 0.000 0.989 352 D CA 1.514 55.503 54.000 -0.019 0.000 0.827 352 D CB -0.056 40.735 40.800 -0.015 0.000 0.966 352 D HN 0.138 nan 8.370 nan 0.000 0.456 353 V N 0.786 120.691 119.914 -0.015 0.000 2.287 353 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 353 V C 2.545 178.634 176.094 -0.009 0.000 1.053 353 V CA 1.931 64.224 62.300 -0.012 0.000 1.027 353 V CB -1.015 30.796 31.823 -0.020 0.000 0.646 353 V HN 0.342 nan 8.190 nan 0.000 0.447 354 A N -0.004 122.808 122.820 -0.013 0.000 1.908 354 A HA -0.327 3.993 4.320 -0.000 0.000 0.218 354 A C 2.117 179.694 177.584 -0.012 0.000 1.181 354 A CA 2.367 54.397 52.037 -0.011 0.000 0.627 354 A CB -1.043 17.948 19.000 -0.015 0.000 0.818 354 A HN 0.706 nan 8.150 nan 0.000 0.445 355 N N -0.160 118.532 118.700 -0.013 0.000 2.061 355 N HA -0.166 4.574 4.740 -0.000 0.000 0.193 355 N C 1.883 177.392 175.510 -0.000 0.000 1.030 355 N CA 1.501 54.545 53.050 -0.009 0.000 0.856 355 N CB -0.275 38.205 38.487 -0.011 0.000 1.023 355 N HN 0.404 nan 8.380 nan 0.000 0.424 356 A N 0.257 123.078 122.820 0.002 0.000 1.908 356 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 356 A C 2.348 179.935 177.584 0.004 0.000 1.181 356 A CA 1.462 53.502 52.037 0.005 0.000 0.627 356 A CB -0.787 18.216 19.000 0.005 0.000 0.818 356 A HN 0.242 nan 8.150 nan 0.000 0.445 357 V N -0.150 119.766 119.914 0.004 0.000 2.307 357 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 357 V C 2.527 178.617 176.094 -0.006 0.000 1.045 357 V CA 1.902 64.207 62.300 0.008 0.000 1.024 357 V CB -0.730 31.102 31.823 0.015 0.000 0.651 357 V HN 0.561 nan 8.190 nan 0.000 0.449 358 L N -0.198 121.015 121.223 -0.016 0.000 2.141 358 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 358 L C 2.213 179.069 176.870 -0.023 0.000 1.094 358 L CA 1.255 56.077 54.840 -0.030 0.000 0.763 358 L CB -0.662 41.378 42.059 -0.032 0.000 0.908 358 L HN 0.315 nan 8.230 nan 0.000 0.437 359 D N 0.137 120.531 120.400 -0.010 0.000 2.218 359 D HA -0.076 4.564 4.640 -0.000 0.000 0.204 359 D C 1.648 177.941 176.300 -0.012 0.000 0.976 359 D CA 1.437 55.433 54.000 -0.007 0.000 0.853 359 D CB 0.086 40.886 40.800 0.000 0.000 0.939 359 D HN 0.420 nan 8.370 nan 0.000 0.481 360 G N -0.508 108.287 108.800 -0.009 0.000 2.151 360 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.140 360 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.140 360 G C 0.438 175.342 174.900 0.006 0.000 1.020 360 G CA 0.112 45.209 45.100 -0.004 0.000 0.688 360 G HN 0.330 nan 8.290 nan 0.000 0.500 361 T N 0.077 114.636 114.554 0.009 0.000 2.940 361 T HA 0.332 4.682 4.350 -0.000 0.000 0.309 361 T C 1.506 176.222 174.700 0.026 0.000 1.056 361 T CA 1.192 63.300 62.100 0.014 0.000 1.137 361 T CB 0.422 69.297 68.868 0.011 0.000 0.976 361 T HN 0.233 nan 8.240 nan 0.000 0.547 362 D N 1.585 121.999 120.400 0.024 0.000 2.120 362 D HA 0.099 4.739 4.640 -0.000 0.000 0.202 362 D C 0.284 176.608 176.300 0.040 0.000 0.972 362 D CA 0.866 54.886 54.000 0.033 0.000 0.837 362 D CB 0.283 41.096 40.800 0.021 0.000 0.989 362 D HN 0.482 nan 8.370 nan 0.000 0.469 363 C N 0.324 119.638 119.300 0.023 0.000 2.634 363 C HA 0.702 5.162 4.460 -0.000 0.000 0.313 363 C C -0.185 174.818 174.990 0.022 0.000 1.198 363 C CA -1.266 57.767 59.018 0.026 0.000 1.605 363 C CB 1.382 29.120 27.740 -0.003 0.000 2.196 363 C HN 0.128 nan 8.230 nan 0.000 0.486 364 V N 0.834 120.767 119.914 0.033 0.000 2.769 364 V HA 0.797 4.917 4.120 -0.000 0.000 0.312 364 V C -0.561 175.546 176.094 0.023 0.000 1.058 364 V CA -0.654 61.659 62.300 0.022 0.000 0.952 364 V CB 1.731 33.566 31.823 0.020 0.000 1.019 364 V HN 1.018 nan 8.190 nan 0.000 0.445 365 M N 4.327 123.937 119.600 0.017 0.000 2.263 365 M HA 0.630 5.110 4.480 -0.000 0.000 0.295 365 M C -2.052 174.262 176.300 0.024 0.000 1.028 365 M CA -0.594 54.719 55.300 0.022 0.000 0.921 365 M CB 1.934 34.544 32.600 0.017 0.000 1.601 365 M HN 0.768 nan 8.290 nan 0.000 0.440 366 L N 3.332 124.573 121.223 0.030 0.000 2.307 366 L HA 0.509 4.849 4.340 -0.000 0.000 0.282 366 L C 0.188 177.080 176.870 0.037 0.000 1.051 366 L CA -0.206 54.652 54.840 0.029 0.000 0.804 366 L CB 1.888 43.964 42.059 0.029 0.000 1.197 366 L HN 0.878 nan 8.230 nan 0.000 0.431 367 S N 0.976 116.697 115.700 0.034 0.000 3.200 367 S HA 0.171 4.641 4.470 -0.000 0.000 0.173 367 S C 1.544 176.163 174.600 0.032 0.000 0.768 367 S CA 0.300 58.525 58.200 0.041 0.000 1.018 367 S CB -0.217 63.008 63.200 0.043 0.000 0.769 367 S HN 0.852 nan 8.310 nan 0.000 0.736 368 G N 1.167 109.981 108.800 0.024 0.000 2.462 368 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.220 368 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.220 368 G C 0.988 175.893 174.900 0.008 0.000 1.121 368 G CA 1.077 46.181 45.100 0.008 0.000 0.758 368 G HN 0.524 nan 8.290 nan 0.000 0.559 369 E N 0.190 120.401 120.200 0.019 0.000 2.118 369 E HA -0.119 4.231 4.350 -0.000 0.000 0.195 369 E C 2.798 179.414 176.600 0.026 0.000 0.992 369 E CA 1.926 58.343 56.400 0.029 0.000 0.804 369 E CB -0.257 29.460 29.700 0.029 0.000 0.741 369 E HN 0.617 nan 8.360 nan 0.000 0.458 370 T N -2.555 112.011 114.554 0.021 0.000 3.042 370 T HA 0.311 4.661 4.350 -0.000 0.000 0.245 370 T C 2.076 176.772 174.700 -0.006 0.000 1.029 370 T CA 0.334 62.444 62.100 0.017 0.000 1.120 370 T CB -0.160 68.728 68.868 0.033 0.000 0.917 370 T HN 0.137 nan 8.240 nan 0.000 0.467 371 A N 3.260 126.078 122.820 -0.005 0.000 1.933 371 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 371 A C 2.175 179.717 177.584 -0.071 0.000 1.175 371 A CA 1.615 53.635 52.037 -0.028 0.000 0.628 371 A CB -0.610 18.388 19.000 -0.003 0.000 0.814 371 A HN 0.812 nan 8.150 nan 0.000 0.444 372 N N -1.699 116.966 118.700 -0.059 0.000 2.118 372 N HA 0.125 4.865 4.740 -0.000 0.000 0.226 372 N C 0.728 176.197 175.510 -0.068 0.000 1.305 372 N CA 0.477 53.481 53.050 -0.076 0.000 0.890 372 N CB 0.217 38.660 38.487 -0.075 0.000 1.118 372 N HN 0.270 nan 8.380 nan 0.000 0.511 373 G N 0.848 109.620 108.800 -0.047 0.000 2.634 373 G HA2 0.116 4.076 3.960 -0.000 0.000 0.255 373 G HA3 0.116 4.076 3.960 -0.000 0.000 0.255 373 G C 0.574 175.409 174.900 -0.109 0.000 1.205 373 G CA -0.180 44.898 45.100 -0.037 0.000 0.884 373 G HN 0.079 nan 8.290 nan 0.000 0.549 374 E N -0.527 119.561 120.200 -0.187 0.000 2.371 374 E HA 0.041 4.391 4.350 -0.000 0.000 0.194 374 E C -0.031 176.114 176.600 -0.758 0.000 1.012 374 E CA 0.525 56.616 56.400 -0.516 0.000 0.860 374 E CB 0.151 29.407 29.700 -0.739 0.000 0.811 374 E HN 0.432 nan 8.360 nan 0.000 0.502 375 F N 0.414 120.350 119.950 -0.024 0.000 2.577 375 F HA 0.252 4.779 4.527 -0.000 0.000 0.342 375 F C -1.636 174.151 175.800 -0.022 0.000 1.479 375 F CA -1.806 56.180 58.000 -0.023 0.000 1.110 375 F CB 1.214 40.198 39.000 -0.027 0.000 1.306 375 F HN -0.117 nan 8.300 nan 0.000 0.554 376 P HA -0.142 nan 4.420 nan 0.000 0.216 376 P C 1.718 179.058 177.300 0.067 0.000 1.153 376 P CA 1.264 64.398 63.100 0.057 0.000 0.848 376 P CB 0.529 32.238 31.700 0.017 0.000 0.787 377 V N 0.250 120.208 119.914 0.073 0.000 2.323 377 V HA -0.180 3.940 4.120 -0.000 0.000 0.244 377 V C 2.956 179.086 176.094 0.060 0.000 1.041 377 V CA 1.603 63.946 62.300 0.071 0.000 1.025 377 V CB -1.269 30.598 31.823 0.073 0.000 0.656 377 V HN -0.028 nan 8.190 nan 0.000 0.451 378 I N 0.029 120.645 120.570 0.078 0.000 2.264 378 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 378 I C 2.614 178.711 176.117 -0.033 0.000 1.111 378 I CA 1.968 63.279 61.300 0.017 0.000 1.382 378 I CB -1.772 36.245 38.000 0.028 0.000 1.060 378 I HN 0.556 nan 8.210 nan 0.000 0.418 379 T N 0.270 114.834 114.554 0.016 0.000 2.788 379 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 379 T C 2.057 176.734 174.700 -0.038 0.000 1.044 379 T CA 1.590 63.682 62.100 -0.013 0.000 1.139 379 T CB -0.363 68.523 68.868 0.030 0.000 0.867 379 T HN 0.381 nan 8.240 nan 0.000 0.454 380 V N 1.587 121.495 119.914 -0.011 0.000 2.307 380 V HA -0.145 3.975 4.120 -0.000 0.000 0.245 380 V C 2.502 178.559 176.094 -0.061 0.000 1.045 380 V CA 1.539 63.835 62.300 -0.007 0.000 1.024 380 V CB -0.612 31.239 31.823 0.048 0.000 0.651 380 V HN 0.542 nan 8.190 nan 0.000 0.449 381 E N 0.516 120.660 120.200 -0.094 0.000 2.097 381 E HA -0.268 4.082 4.350 -0.000 0.000 0.196 381 E C 2.327 178.628 176.600 -0.497 0.000 1.000 381 E CA 2.027 58.247 56.400 -0.300 0.000 0.804 381 E CB -0.390 29.128 29.700 -0.302 0.000 0.740 381 E HN 0.759 nan 8.360 nan 0.000 0.454 382 T N -0.598 113.757 114.554 -0.331 0.000 2.951 382 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 382 T C 1.853 176.414 174.700 -0.231 0.000 1.073 382 T CA 0.996 62.909 62.100 -0.311 0.000 1.134 382 T CB -0.010 68.723 68.868 -0.225 0.000 0.884 382 T HN -0.018 nan 8.240 nan 0.000 0.479 383 M N 2.283 121.778 119.600 -0.175 0.000 2.077 383 M HA 0.281 4.761 4.480 -0.000 0.000 0.261 383 M C 2.512 178.699 176.300 -0.187 0.000 1.070 383 M CA 1.806 57.027 55.300 -0.132 0.000 1.125 383 M CB -1.178 31.374 32.600 -0.080 0.000 1.339 383 M HN 0.333 nan 8.290 nan 0.000 0.409 384 A N -0.199 122.463 122.820 -0.263 0.000 1.948 384 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 384 A C 2.347 179.804 177.584 -0.212 0.000 1.177 384 A CA 2.257 54.022 52.037 -0.454 0.000 0.636 384 A CB -0.834 18.028 19.000 -0.230 0.000 0.815 384 A HN 0.614 nan 8.150 nan 0.000 0.449 385 R N -0.561 119.782 120.500 -0.262 0.000 2.092 385 R HA 0.015 4.355 4.340 -0.000 0.000 0.231 385 R C 1.855 178.140 176.300 -0.024 0.000 1.119 385 R CA 1.484 57.460 56.100 -0.206 0.000 0.970 385 R CB -0.351 29.643 30.300 -0.511 0.000 0.864 385 R HN 0.566 nan 8.270 nan 0.000 0.440 386 I N -0.420 120.109 120.570 -0.070 0.000 2.353 386 I HA -0.303 3.866 4.170 -0.000 0.000 0.248 386 I C 2.201 178.332 176.117 0.024 0.000 1.119 386 I CA 0.701 61.988 61.300 -0.023 0.000 1.417 386 I CB -0.139 37.830 38.000 -0.050 0.000 1.078 386 I HN 0.300 nan 8.210 nan 0.000 0.421 387 C N -0.125 119.185 119.300 0.017 0.000 2.432 387 C HA -0.235 4.225 4.460 -0.000 0.000 0.277 387 C C 2.775 177.852 174.990 0.144 0.000 1.249 387 C CA 0.738 59.796 59.018 0.066 0.000 1.725 387 C CB -1.014 26.758 27.740 0.053 0.000 2.028 387 C HN 0.516 nan 8.230 nan 0.000 0.477 388 Y N 2.133 122.500 120.300 0.112 0.000 2.097 388 Y HA -0.218 4.332 4.550 -0.000 0.000 0.282 388 Y C 2.531 178.498 175.900 0.112 0.000 1.152 388 Y CA 2.010 60.210 58.100 0.168 0.000 1.136 388 Y CB -0.322 38.281 38.460 0.238 0.000 0.975 388 Y HN 0.321 nan 8.280 nan 0.000 0.498 389 E N 0.124 120.455 120.200 0.219 0.000 2.110 389 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 389 E C 2.356 178.957 176.600 0.002 0.000 0.988 389 E CA 1.097 57.565 56.400 0.114 0.000 0.804 389 E CB -0.625 29.140 29.700 0.108 0.000 0.745 389 E HN 0.606 nan 8.360 nan 0.000 0.458 390 A N 1.329 124.150 122.820 0.002 0.000 1.897 390 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 390 A C 1.959 179.513 177.584 -0.050 0.000 1.181 390 A CA 1.296 53.321 52.037 -0.019 0.000 0.620 390 A CB -0.384 18.613 19.000 -0.004 0.000 0.821 390 A HN 0.159 nan 8.150 nan 0.000 0.443 391 E N -0.880 119.285 120.200 -0.059 0.000 2.347 391 E HA -0.068 4.282 4.350 -0.000 0.000 0.196 391 E C 1.610 178.149 176.600 -0.102 0.000 1.008 391 E CA 0.979 57.342 56.400 -0.063 0.000 0.852 391 E CB -0.213 29.487 29.700 0.000 0.000 0.783 391 E HN 0.482 nan 8.360 nan 0.000 0.505 392 T N -0.161 114.295 114.554 -0.163 0.000 2.962 392 T HA -0.117 4.233 4.350 -0.000 0.000 0.270 392 T C 1.541 176.204 174.700 -0.061 0.000 1.088 392 T CA 1.235 63.253 62.100 -0.137 0.000 1.127 392 T CB -0.163 68.624 68.868 -0.135 0.000 0.883 392 T HN 0.473 nan 8.240 nan 0.000 0.493 393 C N 0.411 119.667 119.300 -0.072 0.000 2.976 393 C HA 0.646 5.106 4.460 -0.000 0.000 0.274 393 C C 0.387 175.306 174.990 -0.118 0.000 1.487 393 C CA -1.362 57.615 59.018 -0.068 0.000 1.789 393 C CB -1.390 26.323 27.740 -0.046 0.000 2.771 393 C HN 0.036 nan 8.230 nan 0.000 0.551 394 V N 2.947 122.739 119.914 -0.202 0.000 2.521 394 V HA 0.169 4.289 4.120 -0.000 0.000 0.286 394 V C 0.160 176.012 176.094 -0.404 0.000 1.034 394 V CA 1.053 63.123 62.300 -0.384 0.000 1.045 394 V CB 0.612 32.023 31.823 -0.688 0.000 0.974 394 V HN 0.481 nan 8.190 nan 0.000 0.480 395 D N 4.042 124.275 120.400 -0.278 0.000 2.411 395 D HA 0.168 4.808 4.640 -0.000 0.000 0.225 395 D C 0.349 176.561 176.300 -0.145 0.000 1.156 395 D CA -0.078 53.838 54.000 -0.141 0.000 0.874 395 D CB 0.676 41.441 40.800 -0.060 0.000 1.034 395 D HN 0.499 nan 8.370 nan 0.000 0.502 396 Y N 3.210 123.532 120.300 0.037 0.000 2.263 396 Y HA 0.022 4.572 4.550 -0.000 0.000 0.292 396 Y C -0.679 175.277 175.900 0.092 0.000 1.130 396 Y CA 0.636 58.770 58.100 0.056 0.000 1.179 396 Y CB -1.130 37.351 38.460 0.034 0.000 0.998 396 Y HN 0.442 nan 8.280 nan 0.000 0.532 397 P HA -0.173 nan 4.420 nan 0.000 0.216 397 P C 1.390 178.800 177.300 0.184 0.000 1.153 397 P CA 2.240 65.450 63.100 0.184 0.000 0.848 397 P CB -0.069 31.703 31.700 0.120 0.000 0.787 398 A N -0.814 122.073 122.820 0.112 0.000 1.968 398 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 398 A C 2.196 179.825 177.584 0.075 0.000 1.169 398 A CA 1.081 53.163 52.037 0.075 0.000 0.638 398 A CB -1.479 17.539 19.000 0.031 0.000 0.812 398 A HN 0.097 nan 8.150 nan 0.000 0.446 399 L N -2.004 119.271 121.223 0.087 0.000 2.056 399 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 399 L C 2.598 179.570 176.870 0.169 0.000 1.078 399 L CA 1.820 56.715 54.840 0.091 0.000 0.749 399 L CB -0.623 41.477 42.059 0.069 0.000 0.901 399 L HN 0.647 nan 8.230 nan 0.000 0.433 400 Y N 1.008 121.388 120.300 0.134 0.000 2.200 400 Y HA -0.267 4.283 4.550 -0.000 0.000 0.290 400 Y C 2.809 178.804 175.900 0.158 0.000 1.137 400 Y CA 1.619 59.834 58.100 0.191 0.000 1.163 400 Y CB -0.161 38.399 38.460 0.167 0.000 0.988 400 Y HN -0.040 nan 8.280 nan 0.000 0.518 401 R N 0.984 121.521 120.500 0.062 0.000 2.073 401 R HA -0.120 4.220 4.340 -0.000 0.000 0.234 401 R C 2.359 178.626 176.300 -0.054 0.000 1.134 401 R CA 1.778 57.854 56.100 -0.039 0.000 0.952 401 R CB -1.104 29.233 30.300 0.062 0.000 0.850 401 R HN 0.431 nan 8.270 nan 0.000 0.433 402 A N 0.302 123.118 122.820 -0.007 0.000 1.865 402 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 402 A C 2.180 179.747 177.584 -0.029 0.000 1.191 402 A CA 1.993 54.022 52.037 -0.013 0.000 0.623 402 A CB -0.689 18.310 19.000 -0.002 0.000 0.826 402 A HN 0.464 nan 8.150 nan 0.000 0.444 403 M N -0.369 119.213 119.600 -0.030 0.000 2.108 403 M HA -0.144 4.336 4.480 -0.000 0.000 0.261 403 M C 2.132 178.429 176.300 -0.005 0.000 1.066 403 M CA 1.733 57.005 55.300 -0.047 0.000 1.107 403 M CB -1.065 31.482 32.600 -0.088 0.000 1.356 403 M HN 0.475 nan 8.290 nan 0.000 0.406 404 C N -0.897 118.373 119.300 -0.052 0.000 2.422 404 C HA -0.074 4.386 4.460 -0.000 0.000 0.279 404 C C 2.966 177.927 174.990 -0.048 0.000 1.305 404 C CA 1.384 60.352 59.018 -0.084 0.000 1.757 404 C CB -1.727 25.818 27.740 -0.325 0.000 1.962 404 C HN 0.645 nan 8.230 nan 0.000 0.499 405 L N -0.731 120.464 121.223 -0.047 0.000 2.307 405 L HA 0.481 4.821 4.340 -0.000 0.000 0.211 405 L C 2.540 179.400 176.870 -0.017 0.000 1.099 405 L CA 1.907 56.731 54.840 -0.027 0.000 0.816 405 L CB -1.600 40.445 42.059 -0.023 0.000 0.952 405 L HN 0.411 nan 8.230 nan 0.000 0.455 406 A N -0.692 122.117 122.820 -0.019 0.000 1.898 406 A HA 0.258 4.578 4.320 -0.000 0.000 0.214 406 A C 1.372 178.949 177.584 -0.013 0.000 1.183 406 A CA 0.784 52.811 52.037 -0.018 0.000 0.622 406 A CB -0.545 18.439 19.000 -0.027 0.000 0.824 406 A HN 0.498 nan 8.150 nan 0.000 0.444 407 V N 3.471 123.380 119.914 -0.007 0.000 2.540 407 V HA 0.111 4.231 4.120 -0.000 0.000 0.297 407 V C -1.828 174.272 176.094 0.010 0.000 1.024 407 V CA -0.976 61.326 62.300 0.004 0.000 1.105 407 V CB 0.049 31.893 31.823 0.035 0.000 0.938 407 V HN 0.439 nan 8.190 nan 0.000 0.482 408 P HA 0.346 nan 4.420 nan 0.000 0.274 408 P C -2.650 174.656 177.300 0.011 0.000 1.231 408 P CA -1.324 61.780 63.100 0.005 0.000 0.790 408 P CB 0.208 31.909 31.700 0.002 0.000 0.951 409 P HA 0.399 nan 4.420 nan 0.000 0.278 409 P C -2.353 174.952 177.300 0.008 0.000 1.266 409 P CA -1.416 61.690 63.100 0.010 0.000 0.807 409 P CB -1.224 30.479 31.700 0.006 0.000 1.094 410 P HA 0.386 nan 4.420 nan 0.000 0.290 410 P C -0.491 176.818 177.300 0.016 0.000 1.276 410 P CA -0.541 62.565 63.100 0.010 0.000 0.808 410 P CB 0.339 32.043 31.700 0.007 0.000 0.966 411 I N -0.506 120.076 120.570 0.021 0.000 2.472 411 I HA 0.468 4.638 4.170 -0.000 0.000 0.290 411 I C 0.383 176.515 176.117 0.024 0.000 1.016 411 I CA -0.576 60.743 61.300 0.032 0.000 1.348 411 I CB 1.285 39.316 38.000 0.050 0.000 1.417 411 I HN 0.351 nan 8.210 nan 0.000 0.521 412 S N 3.090 118.807 115.700 0.028 0.000 2.614 412 S HA 0.172 4.642 4.470 -0.000 0.000 0.265 412 S C 1.094 175.704 174.600 0.017 0.000 1.303 412 S CA -0.090 58.122 58.200 0.020 0.000 1.000 412 S CB 1.158 64.371 63.200 0.021 0.000 0.935 412 S HN 0.796 nan 8.310 nan 0.000 0.551 413 T N 2.003 116.562 114.554 0.009 0.000 2.653 413 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 413 T C 2.137 176.841 174.700 0.006 0.000 1.035 413 T CA 2.158 64.261 62.100 0.004 0.000 1.154 413 T CB -0.538 68.328 68.868 -0.002 0.000 0.862 413 T HN 0.837 nan 8.240 nan 0.000 0.441 414 Q N 1.005 120.812 119.800 0.011 0.000 2.123 414 Q HA -0.049 4.291 4.340 -0.000 0.000 0.199 414 Q C 2.002 178.025 176.000 0.038 0.000 0.966 414 Q CA 1.446 57.260 55.803 0.017 0.000 0.845 414 Q CB -0.458 28.289 28.738 0.015 0.000 0.907 414 Q HN 0.612 nan 8.270 nan 0.000 0.439 415 E N 0.924 121.156 120.200 0.053 0.000 2.152 415 E HA -0.059 4.290 4.350 -0.000 0.000 0.192 415 E C 1.976 178.600 176.600 0.041 0.000 0.983 415 E CA 0.928 57.382 56.400 0.091 0.000 0.818 415 E CB -0.032 29.741 29.700 0.122 0.000 0.758 415 E HN 0.468 nan 8.360 nan 0.000 0.467 416 A N 0.270 123.098 122.820 0.013 0.000 1.933 416 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 416 A C 2.324 179.891 177.584 -0.028 0.000 1.175 416 A CA 1.241 53.268 52.037 -0.017 0.000 0.628 416 A CB -0.461 18.535 19.000 -0.007 0.000 0.814 416 A HN 0.209 nan 8.150 nan 0.000 0.444 417 V N -0.263 119.645 119.914 -0.010 0.000 2.453 417 V HA -0.176 3.944 4.120 -0.000 0.000 0.247 417 V C 3.010 179.097 176.094 -0.012 0.000 1.048 417 V CA 1.640 63.934 62.300 -0.010 0.000 1.049 417 V CB -1.133 30.689 31.823 -0.001 0.000 0.672 417 V HN 0.607 nan 8.190 nan 0.000 0.457 418 A N 0.142 122.964 122.820 0.004 0.000 1.858 418 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 418 A C 2.383 179.930 177.584 -0.061 0.000 1.190 418 A CA 1.912 53.963 52.037 0.023 0.000 0.617 418 A CB -0.539 18.527 19.000 0.110 0.000 0.827 418 A HN 0.466 nan 8.150 nan 0.000 0.443 419 R N -0.677 119.692 120.500 -0.217 0.000 2.094 419 R HA -0.203 4.137 4.340 -0.000 0.000 0.239 419 R C 2.531 178.776 176.300 -0.092 0.000 1.137 419 R CA 1.507 57.413 56.100 -0.325 0.000 0.943 419 R CB -0.636 29.452 30.300 -0.353 0.000 0.850 419 R HN 0.534 nan 8.270 nan 0.000 0.433 420 A N 1.127 123.907 122.820 -0.066 0.000 1.917 420 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 420 A C 2.385 179.931 177.584 -0.063 0.000 1.182 420 A CA 2.007 54.017 52.037 -0.045 0.000 0.633 420 A CB -0.762 18.220 19.000 -0.029 0.000 0.819 420 A HN 0.474 nan 8.150 nan 0.000 0.448 421 A N -0.817 121.971 122.820 -0.053 0.000 1.933 421 A HA 0.025 4.345 4.320 -0.000 0.000 0.218 421 A C 2.226 179.759 177.584 -0.085 0.000 1.175 421 A CA 1.795 53.803 52.037 -0.049 0.000 0.628 421 A CB -0.800 18.188 19.000 -0.019 0.000 0.814 421 A HN 0.411 nan 8.150 nan 0.000 0.444 422 V N -0.381 119.463 119.914 -0.116 0.000 2.323 422 V HA -0.224 3.896 4.120 -0.000 0.000 0.244 422 V C 2.469 178.356 176.094 -0.344 0.000 1.041 422 V CA 2.219 64.402 62.300 -0.195 0.000 1.025 422 V CB -0.631 31.105 31.823 -0.145 0.000 0.656 422 V HN 0.735 nan 8.190 nan 0.000 0.451 423 E N -0.041 119.918 120.200 -0.400 0.000 2.072 423 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 423 E C 2.244 178.734 176.600 -0.183 0.000 0.985 423 E CA 1.679 57.862 56.400 -0.362 0.000 0.801 423 E CB -0.071 29.491 29.700 -0.230 0.000 0.750 423 E HN 0.632 nan 8.360 nan 0.000 0.452 424 T N 0.679 115.158 114.554 -0.125 0.000 2.684 424 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 424 T C 1.929 176.580 174.700 -0.082 0.000 1.036 424 T CA 1.316 63.368 62.100 -0.080 0.000 1.148 424 T CB -0.446 68.389 68.868 -0.056 0.000 0.863 424 T HN 0.320 nan 8.240 nan 0.000 0.436 425 A N 1.432 124.196 122.820 -0.094 0.000 1.927 425 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 425 A C 2.215 179.744 177.584 -0.091 0.000 1.185 425 A CA 2.307 54.292 52.037 -0.086 0.000 0.639 425 A CB -0.685 18.260 19.000 -0.092 0.000 0.820 425 A HN 0.539 nan 8.150 nan 0.000 0.451 426 E N -0.568 119.561 120.200 -0.118 0.000 2.046 426 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 426 E C 1.874 178.432 176.600 -0.069 0.000 0.982 426 E CA 1.647 57.986 56.400 -0.102 0.000 0.800 426 E CB -0.638 28.981 29.700 -0.134 0.000 0.756 426 E HN 0.575 nan 8.360 nan 0.000 0.449 427 C N -0.481 118.779 119.300 -0.068 0.000 2.422 427 C HA 0.022 4.482 4.460 -0.000 0.000 0.279 427 C C 2.493 177.462 174.990 -0.035 0.000 1.305 427 C CA 0.547 59.539 59.018 -0.044 0.000 1.757 427 C CB -0.564 27.153 27.740 -0.039 0.000 1.962 427 C HN 0.275 nan 8.230 nan 0.000 0.499 428 V N 1.023 120.912 119.914 -0.040 0.000 3.650 428 V HA 0.124 4.244 4.120 -0.000 0.000 0.271 428 V C 0.733 176.808 176.094 -0.032 0.000 1.281 428 V CA 0.866 63.146 62.300 -0.032 0.000 1.120 428 V CB -0.619 31.184 31.823 -0.033 0.000 0.856 428 V HN 0.669 nan 8.190 nan 0.000 0.443 429 N N 0.687 119.365 118.700 -0.037 0.000 2.738 429 N HA -0.185 4.554 4.740 -0.000 0.000 0.249 429 N C -0.019 175.469 175.510 -0.037 0.000 1.047 429 N CA 0.757 53.785 53.050 -0.035 0.000 0.707 429 N CB -1.029 37.443 38.487 -0.025 0.000 0.937 429 N HN 0.605 nan 8.380 nan 0.000 0.545 430 A N 0.035 122.828 122.820 -0.044 0.000 2.445 430 A HA 0.601 4.921 4.320 -0.000 0.000 0.242 430 A C 1.554 179.111 177.584 -0.044 0.000 1.075 430 A CA 0.456 52.468 52.037 -0.042 0.000 0.777 430 A CB 0.230 19.202 19.000 -0.046 0.000 1.013 430 A HN 0.732 nan 8.150 nan 0.000 0.493 431 A N 2.242 125.040 122.820 -0.036 0.000 1.935 431 A HA 0.389 4.709 4.320 -0.000 0.000 0.214 431 A C 0.918 178.478 177.584 -0.041 0.000 1.178 431 A CA 1.493 53.508 52.037 -0.036 0.000 0.640 431 A CB -0.464 18.520 19.000 -0.027 0.000 0.825 431 A HN 1.443 nan 8.150 nan 0.000 0.447 432 I N -4.773 115.774 120.570 -0.038 0.000 3.093 432 I HA 0.608 4.778 4.170 -0.000 0.000 0.308 432 I C -1.552 174.544 176.117 -0.034 0.000 1.303 432 I CA -1.241 60.036 61.300 -0.038 0.000 0.975 432 I CB 2.043 40.025 38.000 -0.030 0.000 1.286 432 I HN -0.091 nan 8.210 nan 0.000 0.459 433 I N 3.405 123.957 120.570 -0.029 0.000 2.378 433 I HA 0.371 4.541 4.170 -0.000 0.000 0.291 433 I C -1.028 175.083 176.117 -0.010 0.000 0.992 433 I CA -0.818 60.470 61.300 -0.019 0.000 1.154 433 I CB 1.845 39.836 38.000 -0.015 0.000 1.315 433 I HN 0.324 nan 8.210 nan 0.000 0.448 434 L N 6.000 127.218 121.223 -0.008 0.000 2.276 434 L HA 0.558 4.898 4.340 -0.000 0.000 0.286 434 L C 0.226 177.102 176.870 0.009 0.000 1.061 434 L CA -0.142 54.694 54.840 -0.006 0.000 0.807 434 L CB 1.278 43.327 42.059 -0.017 0.000 1.177 434 L HN 0.675 nan 8.230 nan 0.000 0.429 435 A N 5.314 128.144 122.820 0.016 0.000 2.293 435 A HA 0.674 4.994 4.320 -0.000 0.000 0.312 435 A C -0.950 176.657 177.584 0.039 0.000 1.309 435 A CA -0.491 51.568 52.037 0.038 0.000 0.839 435 A CB 0.130 19.157 19.000 0.045 0.000 1.155 435 A HN 0.495 nan 8.150 nan 0.000 0.501 436 L N 2.284 123.542 121.223 0.060 0.000 2.261 436 L HA 0.603 4.943 4.340 -0.000 0.000 0.289 436 L C 0.608 177.577 176.870 0.165 0.000 1.059 436 L CA 0.530 55.404 54.840 0.057 0.000 0.816 436 L CB 1.430 43.440 42.059 -0.081 0.000 1.191 436 L HN 0.660 nan 8.230 nan 0.000 0.431 437 T N 0.929 115.544 114.554 0.102 0.000 2.952 437 T HA 0.304 4.654 4.350 -0.000 0.000 0.305 437 T C 0.460 175.203 174.700 0.071 0.000 1.064 437 T CA -0.395 61.762 62.100 0.096 0.000 1.008 437 T CB 1.511 70.423 68.868 0.073 0.000 1.078 437 T HN 0.684 nan 8.240 nan 0.000 0.459 438 E N 2.020 122.261 120.200 0.069 0.000 2.075 438 E HA 0.018 4.368 4.350 -0.000 0.000 0.190 438 E C 1.955 178.581 176.600 0.045 0.000 0.969 438 E CA 2.046 58.475 56.400 0.049 0.000 0.815 438 E CB -0.054 29.674 29.700 0.046 0.000 0.776 438 E HN 0.720 nan 8.360 nan 0.000 0.457 439 T N -3.767 110.816 114.554 0.049 0.000 3.057 439 T HA 0.328 4.678 4.350 -0.000 0.000 0.254 439 T C 1.548 176.293 174.700 0.074 0.000 1.094 439 T CA 0.725 62.859 62.100 0.056 0.000 1.088 439 T CB 0.426 69.320 68.868 0.043 0.000 0.934 439 T HN 0.383 nan 8.240 nan 0.000 0.497 440 G N 0.871 109.713 108.800 0.069 0.000 2.213 440 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.226 440 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.226 440 G C 0.847 175.789 174.900 0.071 0.000 0.992 440 G CA 0.621 45.768 45.100 0.079 0.000 0.632 440 G HN 0.600 nan 8.290 nan 0.000 0.511 441 Q N 0.358 120.193 119.800 0.058 0.000 2.061 441 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 441 Q C 2.482 178.518 176.000 0.059 0.000 0.984 441 Q CA 2.463 58.297 55.803 0.052 0.000 0.846 441 Q CB -0.422 28.339 28.738 0.038 0.000 0.902 441 Q HN 0.534 nan 8.270 nan 0.000 0.421 442 T N 1.027 115.616 114.554 0.058 0.000 2.635 442 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 442 T C 1.830 176.575 174.700 0.074 0.000 1.040 442 T CA 1.670 63.808 62.100 0.064 0.000 1.156 442 T CB -0.520 68.386 68.868 0.064 0.000 0.863 442 T HN 0.512 nan 8.240 nan 0.000 0.430 443 A N 1.589 124.452 122.820 0.071 0.000 1.877 443 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 443 A C 2.399 180.031 177.584 0.079 0.000 1.186 443 A CA 1.633 53.713 52.037 0.071 0.000 0.620 443 A CB -0.566 18.474 19.000 0.066 0.000 0.822 443 A HN 0.406 nan 8.150 nan 0.000 0.443 444 R N -0.707 119.839 120.500 0.077 0.000 2.073 444 R HA -0.059 4.281 4.340 -0.000 0.000 0.234 444 R C 2.121 178.468 176.300 0.078 0.000 1.134 444 R CA 1.537 57.680 56.100 0.072 0.000 0.952 444 R CB -0.538 29.801 30.300 0.064 0.000 0.850 444 R HN 0.526 nan 8.270 nan 0.000 0.433 445 L N 0.347 121.628 121.223 0.096 0.000 2.079 445 L HA -0.206 4.133 4.340 -0.000 0.000 0.210 445 L C 2.320 179.332 176.870 0.236 0.000 1.081 445 L CA 1.259 56.187 54.840 0.147 0.000 0.752 445 L CB -0.358 41.789 42.059 0.147 0.000 0.896 445 L HN 0.218 nan 8.230 nan 0.000 0.433 446 I N -0.320 120.360 120.570 0.183 0.000 2.202 446 I HA -0.243 3.927 4.170 -0.000 0.000 0.242 446 I C 2.786 179.025 176.117 0.203 0.000 1.091 446 I CA 1.112 62.534 61.300 0.203 0.000 1.368 446 I CB -0.477 37.593 38.000 0.116 0.000 1.058 446 I HN 0.168 nan 8.210 nan 0.000 0.410 447 A N 1.579 124.477 122.820 0.130 0.000 1.972 447 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 447 A C 2.350 179.984 177.584 0.083 0.000 1.169 447 A CA 2.021 54.119 52.037 0.101 0.000 0.635 447 A CB -0.644 18.401 19.000 0.076 0.000 0.810 447 A HN 0.549 nan 8.150 nan 0.000 0.446 448 K N -1.729 118.690 120.400 0.033 0.000 2.283 448 K HA -0.142 4.178 4.320 -0.000 0.000 0.202 448 K C 1.074 177.549 176.600 -0.207 0.000 1.048 448 K CA 1.475 57.697 56.287 -0.107 0.000 0.948 448 K CB -0.404 31.978 32.500 -0.197 0.000 0.742 448 K HN 0.466 nan 8.250 nan 0.000 0.458 449 Y N 1.375 121.748 120.300 0.121 0.000 2.529 449 Y HA 0.200 4.750 4.550 -0.000 0.000 0.290 449 Y C -0.111 175.921 175.900 0.220 0.000 1.177 449 Y CA -0.140 58.076 58.100 0.193 0.000 1.305 449 Y CB 0.258 38.888 38.460 0.283 0.000 1.047 449 Y HN -0.028 nan 8.280 nan 0.000 0.522 450 R N -0.196 120.455 120.500 0.250 0.000 3.127 450 R HA -0.157 4.182 4.340 -0.000 0.000 0.247 450 R C -2.952 173.521 176.300 0.288 0.000 0.896 450 R CA 0.195 56.456 56.100 0.269 0.000 0.624 450 R CB -2.089 28.378 30.300 0.278 0.000 1.154 450 R HN 0.275 nan 8.270 nan 0.000 0.474 451 P HA -0.001 nan 4.420 nan 0.000 0.272 451 P C 0.999 178.078 177.300 -0.367 0.000 1.223 451 P CA -0.315 62.754 63.100 -0.052 0.000 0.784 451 P CB 0.590 32.262 31.700 -0.047 0.000 0.923 452 M N 0.691 119.954 119.600 -0.562 0.000 2.229 452 M HA -0.109 4.371 4.480 -0.000 0.000 0.264 452 M C 1.037 177.060 176.300 -0.462 0.000 1.063 452 M CA 1.341 56.089 55.300 -0.921 0.000 1.114 452 M CB -0.077 32.177 32.600 -0.577 0.000 1.387 452 M HN 0.364 nan 8.290 nan 0.000 0.420 453 Q N 1.494 121.137 119.800 -0.261 0.000 2.340 453 Q HA 0.328 4.668 4.340 -0.000 0.000 0.249 453 Q C -2.598 173.334 176.000 -0.113 0.000 0.957 453 Q CA -2.248 53.464 55.803 -0.152 0.000 0.882 453 Q CB -0.905 27.771 28.738 -0.103 0.000 1.235 453 Q HN 0.103 nan 8.270 nan 0.000 0.439 454 P HA 0.086 nan 4.420 nan 0.000 0.265 454 P C -0.590 176.691 177.300 -0.032 0.000 1.187 454 P CA 0.406 63.479 63.100 -0.045 0.000 0.766 454 P CB 0.355 32.034 31.700 -0.035 0.000 0.820 455 I N 2.979 123.540 120.570 -0.014 0.000 2.339 455 I HA 0.265 4.435 4.170 -0.000 0.000 0.290 455 I C -0.129 175.989 176.117 0.001 0.000 0.994 455 I CA -0.805 60.494 61.300 -0.001 0.000 1.191 455 I CB 1.242 39.253 38.000 0.019 0.000 1.343 455 I HN 0.135 nan 8.210 nan 0.000 0.458 456 L N 7.511 128.733 121.223 -0.003 0.000 2.276 456 L HA 0.713 5.053 4.340 -0.000 0.000 0.286 456 L C -0.037 176.834 176.870 0.002 0.000 1.024 456 L CA -0.175 54.663 54.840 -0.004 0.000 0.826 456 L CB 0.966 43.018 42.059 -0.013 0.000 1.211 456 L HN 0.659 nan 8.230 nan 0.000 0.422 457 A N 6.017 128.843 122.820 0.009 0.000 2.274 457 A HA 0.721 5.041 4.320 -0.000 0.000 0.309 457 A C -1.017 176.570 177.584 0.005 0.000 1.226 457 A CA -0.428 51.618 52.037 0.016 0.000 0.853 457 A CB 0.248 19.267 19.000 0.031 0.000 1.146 457 A HN 0.656 nan 8.150 nan 0.000 0.518 458 L N 2.087 123.308 121.223 -0.003 0.000 2.313 458 L HA 0.722 5.062 4.340 -0.000 0.000 0.283 458 L C 0.372 177.234 176.870 -0.012 0.000 1.013 458 L CA 0.088 54.916 54.840 -0.020 0.000 0.816 458 L CB 1.948 43.979 42.059 -0.047 0.000 1.236 458 L HN 0.632 nan 8.230 nan 0.000 0.419 459 S N 0.903 116.595 115.700 -0.013 0.000 2.541 459 S HA 0.733 5.203 4.470 -0.000 0.000 0.271 459 S C 0.290 174.880 174.600 -0.016 0.000 1.133 459 S CA 0.081 58.278 58.200 -0.005 0.000 0.876 459 S CB 1.770 64.974 63.200 0.007 0.000 1.105 459 S HN 0.667 nan 8.310 nan 0.000 0.470 460 A N 2.186 124.998 122.820 -0.013 0.000 2.251 460 A HA 0.390 4.710 4.320 -0.000 0.000 0.209 460 A C 0.940 178.512 177.584 -0.020 0.000 1.187 460 A CA 0.373 52.400 52.037 -0.017 0.000 0.823 460 A CB -0.220 18.772 19.000 -0.013 0.000 0.846 460 A HN 0.804 nan 8.150 nan 0.000 0.486 461 S N -0.186 115.504 115.700 -0.018 0.000 2.422 461 S HA 0.226 4.696 4.470 -0.000 0.000 0.298 461 S C 0.823 175.392 174.600 -0.051 0.000 1.118 461 S CA -0.407 57.775 58.200 -0.029 0.000 1.083 461 S CB 0.834 64.025 63.200 -0.014 0.000 0.971 461 S HN 0.469 nan 8.310 nan 0.000 0.478 462 E N 3.394 123.554 120.200 -0.067 0.000 2.051 462 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 462 E C 2.004 178.520 176.600 -0.140 0.000 0.991 462 E CA 1.737 58.087 56.400 -0.084 0.000 0.799 462 E CB -0.206 29.445 29.700 -0.080 0.000 0.748 462 E HN 0.893 nan 8.360 nan 0.000 0.449 463 S N -0.127 115.465 115.700 -0.181 0.000 2.359 463 S HA -0.184 4.286 4.470 -0.000 0.000 0.224 463 S C 2.150 176.416 174.600 -0.558 0.000 1.035 463 S CA 1.903 59.878 58.200 -0.375 0.000 1.018 463 S CB -0.966 62.091 63.200 -0.239 0.000 0.876 463 S HN 0.181 nan 8.310 nan 0.000 0.448 464 T N 3.079 117.500 114.554 -0.221 0.000 2.665 464 T HA -0.042 4.308 4.350 -0.000 0.000 0.268 464 T C 1.750 176.424 174.700 -0.043 0.000 1.035 464 T CA 1.586 63.655 62.100 -0.052 0.000 1.151 464 T CB -0.492 68.388 68.868 0.020 0.000 0.862 464 T HN 0.273 nan 8.240 nan 0.000 0.438 465 I N 1.335 121.871 120.570 -0.058 0.000 2.194 465 I HA -0.169 4.001 4.170 -0.000 0.000 0.246 465 I C 2.248 178.356 176.117 -0.014 0.000 1.093 465 I CA 1.677 62.963 61.300 -0.022 0.000 1.355 465 I CB -0.855 37.129 38.000 -0.027 0.000 1.046 465 I HN 0.343 nan 8.210 nan 0.000 0.413 466 K N -0.616 119.728 120.400 -0.093 0.000 2.116 466 K HA -0.100 4.220 4.320 -0.000 0.000 0.203 466 K C 2.021 178.655 176.600 0.055 0.000 1.052 466 K CA 0.834 57.090 56.287 -0.051 0.000 0.952 466 K CB -0.241 32.188 32.500 -0.119 0.000 0.729 466 K HN 0.487 nan 8.250 nan 0.000 0.446 467 H N 0.657 119.725 119.070 -0.004 0.000 2.421 467 H HA -0.050 4.506 4.556 -0.000 0.000 0.298 467 H C 1.820 177.301 175.328 0.255 0.000 1.087 467 H CA 0.683 56.776 56.048 0.075 0.000 1.330 467 H CB 0.025 29.766 29.762 -0.035 0.000 1.388 467 H HN 0.037 nan 8.280 nan 0.000 0.526 468 L N 0.798 122.172 121.223 0.253 0.000 2.465 468 L HA -0.128 4.212 4.340 -0.000 0.000 0.224 468 L C 1.735 178.706 176.870 0.168 0.000 1.145 468 L CA 0.219 55.169 54.840 0.184 0.000 0.834 468 L CB -0.091 42.037 42.059 0.115 0.000 0.944 468 L HN 0.339 nan 8.230 nan 0.000 0.451 469 Q N 0.003 119.923 119.800 0.201 0.000 2.364 469 Q HA -0.095 4.245 4.340 -0.000 0.000 0.207 469 Q C 2.011 178.092 176.000 0.135 0.000 0.970 469 Q CA 1.177 57.077 55.803 0.162 0.000 0.888 469 Q CB -0.223 28.623 28.738 0.180 0.000 0.951 469 Q HN 0.589 nan 8.270 nan 0.000 0.469 470 V N -2.929 117.072 119.914 0.144 0.000 3.596 470 V HA 0.204 4.324 4.120 -0.000 0.000 0.289 470 V C 0.655 176.778 176.094 0.047 0.000 1.336 470 V CA -0.103 62.217 62.300 0.034 0.000 1.137 470 V CB 0.025 31.761 31.823 -0.145 0.000 0.966 470 V HN -0.057 nan 8.190 nan 0.000 0.428 471 I N 2.242 122.860 120.570 0.080 0.000 2.307 471 I HA 0.414 4.584 4.170 -0.000 0.000 0.289 471 I C 0.679 176.835 176.117 0.064 0.000 1.021 471 I CA -0.502 60.841 61.300 0.071 0.000 1.224 471 I CB 1.017 39.068 38.000 0.085 0.000 1.376 471 I HN 0.331 nan 8.210 nan 0.000 0.470 472 R N 4.175 124.712 120.500 0.061 0.000 2.538 472 R HA 0.174 4.514 4.340 -0.000 0.000 0.282 472 R C 1.109 177.450 176.300 0.068 0.000 1.009 472 R CA 1.356 57.497 56.100 0.069 0.000 1.063 472 R CB 0.318 30.663 30.300 0.075 0.000 0.945 472 R HN 0.969 nan 8.270 nan 0.000 0.414 473 G N 2.294 111.130 108.800 0.060 0.000 2.199 473 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.254 473 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.254 473 G C -0.172 174.745 174.900 0.027 0.000 0.982 473 G CA 0.122 45.250 45.100 0.046 0.000 0.632 473 G HN 0.531 nan 8.290 nan 0.000 0.529 474 V N 1.685 121.619 119.914 0.034 0.000 2.481 474 V HA 0.693 4.813 4.120 -0.000 0.000 0.286 474 V C 0.504 176.608 176.094 0.018 0.000 1.042 474 V CA 0.229 62.548 62.300 0.031 0.000 0.928 474 V CB 1.701 33.554 31.823 0.049 0.000 0.986 474 V HN 0.323 nan 8.190 nan 0.000 0.462 475 T N 2.736 117.295 114.554 0.009 0.000 2.856 475 T HA 0.606 4.956 4.350 -0.000 0.000 0.283 475 T C -0.010 174.696 174.700 0.011 0.000 1.008 475 T CA -0.582 61.520 62.100 0.004 0.000 0.997 475 T CB 1.692 70.554 68.868 -0.010 0.000 0.992 475 T HN 0.861 nan 8.240 nan 0.000 0.454 476 T N -0.040 114.522 114.554 0.013 0.000 2.925 476 T HA 0.769 5.119 4.350 -0.000 0.000 0.285 476 T C -0.450 174.251 174.700 0.002 0.000 1.021 476 T CA -0.982 61.125 62.100 0.012 0.000 1.042 476 T CB 1.435 70.316 68.868 0.021 0.000 1.037 476 T HN 0.623 nan 8.240 nan 0.000 0.481 477 M N 2.548 122.145 119.600 -0.004 0.000 2.149 477 M HA 0.318 4.798 4.480 -0.000 0.000 0.273 477 M C -0.800 175.491 176.300 -0.016 0.000 0.972 477 M CA -0.529 54.765 55.300 -0.011 0.000 0.984 477 M CB 2.051 34.640 32.600 -0.018 0.000 1.699 477 M HN 0.914 nan 8.290 nan 0.000 0.462 478 Q N 3.225 123.017 119.800 -0.014 0.000 2.314 478 Q HA 0.550 4.890 4.340 -0.000 0.000 0.258 478 Q C -1.745 174.240 176.000 -0.024 0.000 0.954 478 Q CA -0.172 55.620 55.803 -0.019 0.000 0.890 478 Q CB 1.206 29.933 28.738 -0.018 0.000 1.210 478 Q HN 0.689 nan 8.270 nan 0.000 0.410 479 V N 5.082 124.978 119.914 -0.030 0.000 3.040 479 V HA 0.357 4.477 4.120 -0.000 0.000 0.312 479 V C -2.026 174.050 176.094 -0.031 0.000 1.115 479 V CA -1.287 60.990 62.300 -0.040 0.000 0.998 479 V CB 2.131 33.916 31.823 -0.064 0.000 1.042 479 V HN 0.867 nan 8.190 nan 0.000 0.433 480 P HA 0.373 nan 4.420 nan 0.000 0.245 480 P C 0.219 177.514 177.300 -0.007 0.000 1.199 480 P CA 1.262 64.355 63.100 -0.011 0.000 0.807 480 P CB 0.526 32.228 31.700 0.003 0.000 1.002 485 T N 0.291 114.784 114.554 -0.102 0.000 2.653 485 T HA -0.239 4.111 4.350 -0.000 0.000 0.267 485 T C 1.739 176.373 174.700 -0.109 0.000 1.037 485 T CA 2.836 64.832 62.100 -0.173 0.000 1.159 485 T CB -0.559 68.221 68.868 -0.147 0.000 0.859 485 T HN 0.490 nan 8.240 nan 0.000 0.449 486 D N 0.294 120.678 120.400 -0.026 0.000 2.108 486 D HA -0.141 4.499 4.640 -0.000 0.000 0.190 486 D C 1.938 178.253 176.300 0.024 0.000 0.995 486 D CA 1.852 55.860 54.000 0.013 0.000 0.834 486 D CB -0.534 40.298 40.800 0.053 0.000 0.967 486 D HN 0.883 nan 8.370 nan 0.000 0.446 487 H N -0.083 118.967 119.070 -0.034 0.000 2.548 487 H HA 0.144 4.700 4.556 -0.000 0.000 0.268 487 H C 2.014 177.321 175.328 -0.034 0.000 0.975 487 H CA 1.060 57.090 56.048 -0.029 0.000 1.195 487 H CB -0.383 29.365 29.762 -0.023 0.000 1.397 487 H HN 0.145 nan 8.280 nan 0.000 0.572 488 V N 1.682 121.304 119.914 -0.486 0.000 2.379 488 V HA -0.096 4.024 4.120 -0.000 0.000 0.245 488 V C 2.804 178.789 176.094 -0.181 0.000 1.044 488 V CA 1.699 63.780 62.300 -0.365 0.000 1.036 488 V CB -0.562 31.061 31.823 -0.333 0.000 0.664 488 V HN 0.254 nan 8.190 nan 0.000 0.453 489 I N -0.561 119.927 120.570 -0.136 0.000 2.252 489 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 489 I C 2.697 178.783 176.117 -0.052 0.000 1.102 489 I CA 1.883 63.134 61.300 -0.081 0.000 1.385 489 I CB -0.208 37.754 38.000 -0.063 0.000 1.064 489 I HN 0.439 nan 8.210 nan 0.000 0.414 490 R N 1.153 121.632 120.500 -0.035 0.000 2.073 490 R HA -0.246 4.094 4.340 -0.000 0.000 0.234 490 R C 2.096 178.388 176.300 -0.012 0.000 1.134 490 R CA 2.353 58.448 56.100 -0.009 0.000 0.952 490 R CB -0.363 29.950 30.300 0.021 0.000 0.850 490 R HN 0.318 nan 8.270 nan 0.000 0.433 491 N N -0.003 118.685 118.700 -0.021 0.000 2.188 491 N HA -0.106 4.634 4.740 -0.000 0.000 0.184 491 N C 1.562 177.055 175.510 -0.028 0.000 1.018 491 N CA 1.520 54.559 53.050 -0.018 0.000 0.858 491 N CB -0.089 38.387 38.487 -0.020 0.000 0.989 491 N HN 0.335 nan 8.380 nan 0.000 0.426 492 A N 0.388 123.182 122.820 -0.043 0.000 1.930 492 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 492 A C 2.204 179.771 177.584 -0.028 0.000 1.175 492 A CA 0.957 52.971 52.037 -0.038 0.000 0.627 492 A CB -0.686 18.286 19.000 -0.047 0.000 0.815 492 A HN 0.406 nan 8.150 nan 0.000 0.443 493 I N -0.484 120.071 120.570 -0.026 0.000 2.226 493 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 493 I C 2.334 178.441 176.117 -0.016 0.000 1.100 493 I CA 1.052 62.340 61.300 -0.020 0.000 1.374 493 I CB -0.403 37.587 38.000 -0.018 0.000 1.057 493 I HN 0.144 nan 8.210 nan 0.000 0.413 494 V N 0.580 120.486 119.914 -0.013 0.000 2.282 494 V HA -0.274 3.846 4.120 -0.000 0.000 0.249 494 V C 2.436 178.523 176.094 -0.013 0.000 1.057 494 V CA 1.867 64.160 62.300 -0.010 0.000 1.032 494 V CB -0.520 31.299 31.823 -0.006 0.000 0.645 494 V HN 0.254 nan 8.190 nan 0.000 0.447 495 V N 0.069 119.974 119.914 -0.015 0.000 2.358 495 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 495 V C 2.679 178.763 176.094 -0.017 0.000 1.047 495 V CA 1.837 64.128 62.300 -0.016 0.000 1.035 495 V CB -1.130 30.683 31.823 -0.017 0.000 0.658 495 V HN 0.555 nan 8.190 nan 0.000 0.452 496 A N -0.536 122.272 122.820 -0.019 0.000 1.933 496 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 496 A C 2.337 179.910 177.584 -0.019 0.000 1.175 496 A CA 1.986 54.011 52.037 -0.020 0.000 0.628 496 A CB -0.437 18.550 19.000 -0.021 0.000 0.814 496 A HN 0.498 nan 8.150 nan 0.000 0.444 497 K N -0.992 119.398 120.400 -0.017 0.000 2.057 497 K HA -0.160 4.160 4.320 -0.000 0.000 0.206 497 K C 2.085 178.675 176.600 -0.016 0.000 1.050 497 K CA 1.520 57.798 56.287 -0.016 0.000 0.935 497 K CB -0.051 32.441 32.500 -0.013 0.000 0.715 497 K HN 0.444 nan 8.250 nan 0.000 0.439 498 E N 0.871 121.062 120.200 -0.016 0.000 2.208 498 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 498 E C 1.355 177.943 176.600 -0.019 0.000 0.988 498 E CA 1.083 57.474 56.400 -0.016 0.000 0.828 498 E CB 0.155 29.847 29.700 -0.014 0.000 0.763 498 E HN 0.112 nan 8.360 nan 0.000 0.478 499 R N 0.308 120.795 120.500 -0.021 0.000 2.313 499 R HA 0.075 4.415 4.340 -0.000 0.000 0.199 499 R C -0.028 176.255 176.300 -0.028 0.000 0.958 499 R CA 0.702 56.786 56.100 -0.026 0.000 1.047 499 R CB -0.020 30.265 30.300 -0.026 0.000 0.955 499 R HN 0.196 nan 8.270 nan 0.000 0.481 500 E N -0.549 119.636 120.200 -0.024 0.000 2.868 500 E HA -0.237 4.113 4.350 -0.000 0.000 0.278 500 E C 0.380 176.967 176.600 -0.022 0.000 1.009 500 E CA 0.271 56.658 56.400 -0.023 0.000 0.856 500 E CB -1.509 28.176 29.700 -0.025 0.000 1.428 500 E HN 0.387 nan 8.360 nan 0.000 0.423 501 L N -0.246 120.964 121.223 -0.022 0.000 2.418 501 L HA 0.164 4.504 4.340 -0.000 0.000 0.218 501 L C 0.831 177.688 176.870 -0.021 0.000 1.125 501 L CA 0.432 55.259 54.840 -0.022 0.000 0.835 501 L CB 0.719 42.764 42.059 -0.023 0.000 0.953 501 L HN 0.079 nan 8.230 nan 0.000 0.454 502 V N -0.888 119.015 119.914 -0.019 0.000 2.969 502 V HA 0.487 4.607 4.120 -0.000 0.000 0.304 502 V C -0.674 175.411 176.094 -0.016 0.000 1.192 502 V CA -0.380 61.909 62.300 -0.018 0.000 0.962 502 V CB 2.450 34.262 31.823 -0.019 0.000 1.045 502 V HN 0.236 nan 8.190 nan 0.000 0.428 503 T N 1.676 116.222 114.554 -0.014 0.000 2.926 503 T HA 0.832 5.182 4.350 -0.000 0.000 0.289 503 T C 0.022 174.715 174.700 -0.011 0.000 1.054 503 T CA 0.119 62.212 62.100 -0.012 0.000 1.015 503 T CB 1.545 70.407 68.868 -0.011 0.000 1.167 503 T HN 1.460 nan 8.240 nan 0.000 0.526 504 E N -0.676 119.519 120.200 -0.010 0.000 2.529 504 E HA 0.417 4.767 4.350 -0.000 0.000 0.259 504 E C 1.406 178.001 176.600 -0.009 0.000 0.966 504 E CA 0.223 56.618 56.400 -0.009 0.000 0.937 504 E CB -1.167 28.528 29.700 -0.007 0.000 0.923 504 E HN 2.254 nan 8.360 nan 0.000 0.468 505 G N 1.781 110.576 108.800 -0.009 0.000 2.217 505 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.246 505 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.246 505 G C 0.389 175.283 174.900 -0.010 0.000 0.990 505 G CA 0.365 45.459 45.100 -0.009 0.000 0.627 505 G HN 0.747 nan 8.290 nan 0.000 0.522 506 E N 0.765 120.958 120.200 -0.012 0.000 2.349 506 E HA 0.548 4.898 4.350 -0.000 0.000 0.262 506 E C 0.015 176.606 176.600 -0.016 0.000 1.088 506 E CA -0.009 56.382 56.400 -0.014 0.000 0.899 506 E CB 0.904 30.595 29.700 -0.016 0.000 1.044 506 E HN 0.231 nan 8.360 nan 0.000 0.420 507 S N 0.665 116.355 115.700 -0.018 0.000 2.616 507 S HA 0.448 4.918 4.470 -0.000 0.000 0.277 507 S C -0.265 174.321 174.600 -0.022 0.000 1.234 507 S CA -0.668 57.521 58.200 -0.019 0.000 1.028 507 S CB 1.045 64.232 63.200 -0.021 0.000 0.988 507 S HN 0.243 nan 8.310 nan 0.000 0.522 508 I N 1.742 122.299 120.570 -0.021 0.000 2.689 508 I HA 0.501 4.671 4.170 -0.000 0.000 0.299 508 I C -0.606 175.498 176.117 -0.021 0.000 1.059 508 I CA -0.745 60.542 61.300 -0.022 0.000 1.055 508 I CB 1.834 39.822 38.000 -0.020 0.000 1.243 508 I HN 0.556 nan 8.210 nan 0.000 0.425 509 V N 3.948 123.849 119.914 -0.023 0.000 2.357 509 V HA 0.784 4.904 4.120 -0.000 0.000 0.284 509 V C 0.373 176.461 176.094 -0.011 0.000 1.018 509 V CA -0.473 61.816 62.300 -0.019 0.000 0.841 509 V CB 1.368 33.176 31.823 -0.026 0.000 0.991 509 V HN 1.000 nan 8.190 nan 0.000 0.437 510 A N 5.306 128.124 122.820 -0.004 0.000 2.304 510 A HA 0.882 5.202 4.320 -0.000 0.000 0.323 510 A C -0.712 176.887 177.584 0.025 0.000 1.195 510 A CA -0.492 51.547 52.037 0.004 0.000 0.826 510 A CB 1.380 20.377 19.000 -0.006 0.000 1.184 510 A HN 0.644 nan 8.150 nan 0.000 0.496 511 V N 2.412 122.351 119.914 0.042 0.000 2.680 511 V HA 0.561 4.681 4.120 -0.000 0.000 0.309 511 V C -0.804 175.369 176.094 0.132 0.000 1.052 511 V CA -0.484 61.856 62.300 0.067 0.000 0.908 511 V CB 1.807 33.658 31.823 0.048 0.000 1.001 511 V HN 1.014 nan 8.190 nan 0.000 0.431 512 H N 1.926 120.997 119.070 0.002 0.000 3.181 512 H HA 0.656 5.212 4.556 -0.000 0.000 0.331 512 H C -0.119 175.213 175.328 0.006 0.000 0.988 512 H CA -0.016 56.033 56.048 0.003 0.000 1.449 512 H CB 1.366 31.127 29.762 -0.002 0.000 1.749 512 H HN 0.857 nan 8.280 nan 0.000 0.501 513 G N 4.367 113.077 108.800 -0.150 0.000 2.462 513 G HA2 0.631 4.591 3.960 -0.000 0.000 0.319 513 G HA3 0.631 4.591 3.960 -0.000 0.000 0.319 513 G C -0.480 174.194 174.900 -0.377 0.000 1.171 513 G CA -0.660 44.306 45.100 -0.224 0.000 0.920 513 G HN 0.728 nan 8.290 nan 0.000 0.499 522 S N 3.697 119.364 115.700 -0.054 0.000 2.537 522 S HA 0.648 5.118 4.470 -0.000 0.000 0.271 522 S C -1.786 172.764 174.600 -0.082 0.000 1.148 522 S CA -0.926 57.241 58.200 -0.054 0.000 0.868 522 S CB 1.642 64.816 63.200 -0.044 0.000 1.115 522 S HN 0.606 nan 8.310 nan 0.000 0.461 523 N N 1.031 119.697 118.700 -0.057 0.000 2.284 523 N HA 0.579 5.319 4.740 -0.000 0.000 0.300 523 N C -1.649 173.842 175.510 -0.031 0.000 1.047 523 N CA -0.499 52.517 53.050 -0.057 0.000 0.821 523 N CB 2.210 40.679 38.487 -0.031 0.000 1.337 523 N HN 0.707 nan 8.380 nan 0.000 0.482 524 L N 2.379 123.591 121.223 -0.018 0.000 2.362 524 L HA 0.644 4.984 4.340 -0.000 0.000 0.271 524 L C -1.439 175.452 176.870 0.035 0.000 1.002 524 L CA -0.681 54.172 54.840 0.022 0.000 0.818 524 L CB 2.113 44.209 42.059 0.063 0.000 1.298 524 L HN 0.433 nan 8.230 nan 0.000 0.420 525 L N 4.833 126.071 121.223 0.025 0.000 2.438 525 L HA 0.561 4.901 4.340 -0.000 0.000 0.270 525 L C -1.447 175.432 176.870 0.015 0.000 0.972 525 L CA -0.458 54.394 54.840 0.019 0.000 0.831 525 L CB 1.459 43.521 42.059 0.005 0.000 1.273 525 L HN 0.658 nan 8.230 nan 0.000 0.405 526 K N 3.999 124.407 120.400 0.014 0.000 2.378 526 K HA 0.674 4.994 4.320 -0.000 0.000 0.252 526 K C -1.781 174.818 176.600 -0.002 0.000 0.931 526 K CA -0.658 55.633 56.287 0.007 0.000 0.794 526 K CB 2.363 34.870 32.500 0.011 0.000 1.181 526 K HN 0.440 nan 8.250 nan 0.000 0.425 527 V N 4.633 124.544 119.914 -0.005 0.000 2.384 527 V HA 0.456 4.575 4.120 -0.000 0.000 0.287 527 V C -0.319 175.770 176.094 -0.009 0.000 1.020 527 V CA -0.874 61.420 62.300 -0.010 0.000 0.850 527 V CB 1.031 32.845 31.823 -0.014 0.000 0.987 527 V HN 0.607 nan 8.190 nan 0.000 0.436 528 L N 1.715 122.932 121.223 -0.011 0.000 2.333 528 L HA 0.874 5.214 4.340 -0.000 0.000 0.263 528 L C -0.098 176.766 176.870 -0.011 0.000 1.014 528 L CA -0.589 54.245 54.840 -0.010 0.000 0.820 528 L CB 1.190 43.244 42.059 -0.009 0.000 1.352 528 L HN 0.618 nan 8.230 nan 0.000 0.421 529 T N 0.677 115.226 114.554 -0.010 0.000 2.771 529 T HA 0.552 4.902 4.350 -0.000 0.000 0.291 529 T C 0.290 174.985 174.700 -0.010 0.000 0.954 529 T CA -0.277 61.817 62.100 -0.010 0.000 1.045 529 T CB 1.189 70.052 68.868 -0.008 0.000 0.917 529 T HN 0.730 nan 8.240 nan 0.000 0.484 530 V N 4.686 124.594 119.914 -0.011 0.000 2.673 530 V HA 0.212 4.332 4.120 -0.000 0.000 0.303 530 V C 0.619 176.708 176.094 -0.009 0.000 1.046 530 V CA 0.172 62.466 62.300 -0.011 0.000 1.126 530 V CB 0.071 31.887 31.823 -0.012 0.000 0.934 530 V HN 0.995 nan 8.190 nan 0.000 0.487 531 E N 0.000 120.196 120.200 -0.007 0.000 2.725 531 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 531 E CA 0.000 56.396 56.400 -0.006 0.000 0.976 531 E CB 0.000 29.697 29.700 -0.005 0.000 0.812 531 E HN 0.000 nan 8.360 nan 0.000 0.440