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 1de6_1_C DATA FIRST_RESID 11 DATA SEQUENCE TQLEQAWELA KQRFAAVGID VEEALRQLDR LPVSMHCWQG DDVSGFENPE DATA SEQUENCE GSLTGGIQAT GNYPGKARNA SELRADLEQA MRLIPGPKRL NLHAIYLESD DATA SEQUENCE TPVSRDQIKP EHFKNWVEWA KANQLGLDFN PSCFSHPLSA DGFTLSHADD DATA SEQUENCE SIRQFWIDHC KASRRVSAYF GEQLGTPSVM NIWIPDGMKD ITVDRLAPRQ DATA SEQUENCE RLLAALDEVI SEKLNPAHHI DAVESKLFGI GAESYTVGSN EFYMGYATSR DATA SEQUENCE QTALCLDAGH FHPTEVISDK ISAAMLYVPQ LLLHVSRPVR WDSDHVVLLD DATA SEQUENCE DETQAIASEI VRHDLFDRVH IGLDFFDASI NRIAAWVIGT RNMKKALLRA DATA SEQUENCE LLEPTAELRK LEAPGDYTAR LALLEEQKSL PWQAVWEMYC QRHDTPAGSE DATA SEQUENCE WLESVRAYEK EILSRR 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 11 T HA 0.000 nan 4.350 nan 0.000 0.228 11 T C 0.000 174.722 174.700 0.036 0.000 1.109 11 T CA 0.000 62.112 62.100 0.020 0.000 1.349 11 T CB 0.000 68.878 68.868 0.016 0.000 0.612 12 Q N 0.940 120.758 119.800 0.030 0.000 2.077 12 Q HA -0.087 4.253 4.340 -0.000 0.000 0.206 12 Q C 2.208 178.243 176.000 0.058 0.000 0.989 12 Q CA 1.914 57.740 55.803 0.038 0.000 0.853 12 Q CB -0.273 28.482 28.738 0.029 0.000 0.907 12 Q HN 0.545 nan 8.270 nan 0.000 0.418 13 L N 0.729 121.983 121.223 0.051 0.000 2.017 13 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 13 L C 2.383 179.329 176.870 0.126 0.000 1.073 13 L CA 1.598 56.481 54.840 0.071 0.000 0.745 13 L CB -0.151 41.922 42.059 0.024 0.000 0.894 13 L HN 0.138 nan 8.230 nan 0.000 0.432 14 E N -0.085 120.168 120.200 0.088 0.000 2.058 14 E HA -0.284 4.066 4.350 -0.000 0.000 0.194 14 E C 2.181 178.909 176.600 0.213 0.000 0.997 14 E CA 1.790 58.272 56.400 0.135 0.000 0.801 14 E CB -0.125 29.613 29.700 0.063 0.000 0.746 14 E HN 0.559 nan 8.360 nan 0.000 0.450 15 Q N -0.568 119.311 119.800 0.133 0.000 2.050 15 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 15 Q C 2.232 178.303 176.000 0.118 0.000 0.980 15 Q CA 1.542 57.411 55.803 0.111 0.000 0.840 15 Q CB -0.297 28.483 28.738 0.069 0.000 0.898 15 Q HN 0.383 nan 8.270 nan 0.000 0.424 16 A N 1.125 124.020 122.820 0.123 0.000 1.908 16 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 16 A C 1.769 179.453 177.584 0.166 0.000 1.181 16 A CA 1.300 53.406 52.037 0.114 0.000 0.627 16 A CB -1.222 17.844 19.000 0.109 0.000 0.818 16 A HN 0.759 nan 8.150 nan 0.000 0.445 17 W N 0.778 122.103 121.300 0.041 0.000 2.358 17 W HA -0.154 4.506 4.660 -0.000 0.000 0.303 17 W C 1.649 178.208 176.519 0.067 0.000 1.208 17 W CA 1.931 59.313 57.345 0.061 0.000 1.274 17 W CB -0.170 29.318 29.460 0.046 0.000 1.138 17 W HN 0.368 nan 8.180 nan 0.000 0.515 18 E N 0.993 121.229 120.200 0.059 0.000 2.077 18 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 18 E C 2.343 178.870 176.600 -0.122 0.000 0.989 18 E CA 1.449 57.800 56.400 -0.083 0.000 0.800 18 E CB -0.865 28.876 29.700 0.069 0.000 0.746 18 E HN 0.426 nan 8.360 nan 0.000 0.452 19 L N 0.349 121.544 121.223 -0.047 0.000 2.012 19 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 19 L C 2.584 179.403 176.870 -0.085 0.000 1.073 19 L CA 1.339 56.148 54.840 -0.052 0.000 0.748 19 L CB -0.611 41.436 42.059 -0.020 0.000 0.891 19 L HN 0.068 nan 8.230 nan 0.000 0.431 20 A N 0.190 122.965 122.820 -0.074 0.000 1.865 20 A HA -0.302 4.018 4.320 -0.000 0.000 0.217 20 A C 2.382 179.940 177.584 -0.043 0.000 1.191 20 A CA 2.248 54.276 52.037 -0.016 0.000 0.623 20 A CB -0.605 18.444 19.000 0.082 0.000 0.826 20 A HN 0.363 nan 8.150 nan 0.000 0.444 21 K N -0.403 119.801 120.400 -0.325 0.000 2.059 21 K HA -0.287 4.033 4.320 -0.000 0.000 0.212 21 K C 2.228 178.749 176.600 -0.132 0.000 1.050 21 K CA 2.108 58.174 56.287 -0.369 0.000 0.927 21 K CB -0.243 31.894 32.500 -0.605 0.000 0.714 21 K HN 0.713 nan 8.250 nan 0.000 0.447 22 Q N -0.424 119.304 119.800 -0.120 0.000 2.079 22 Q HA -0.084 4.256 4.340 -0.000 0.000 0.200 22 Q C 2.239 178.199 176.000 -0.066 0.000 0.974 22 Q CA 0.780 56.540 55.803 -0.072 0.000 0.840 22 Q CB -0.063 28.636 28.738 -0.065 0.000 0.898 22 Q HN 0.184 nan 8.270 nan 0.000 0.430 23 R N 0.386 120.821 120.500 -0.108 0.000 2.080 23 R HA -0.111 4.229 4.340 -0.000 0.000 0.236 23 R C 2.102 178.279 176.300 -0.205 0.000 1.137 23 R CA 1.357 57.340 56.100 -0.194 0.000 0.943 23 R CB -0.772 29.333 30.300 -0.326 0.000 0.846 23 R HN 0.267 nan 8.270 nan 0.000 0.431 24 F N 0.904 120.817 119.950 -0.062 0.000 2.171 24 F HA -0.108 4.419 4.527 -0.000 0.000 0.300 24 F C 2.575 178.348 175.800 -0.045 0.000 1.090 24 F CA 1.159 59.133 58.000 -0.044 0.000 1.293 24 F CB -0.789 38.178 39.000 -0.055 0.000 1.013 24 F HN 0.086 nan 8.300 nan 0.000 0.486 25 A N 0.064 122.952 122.820 0.114 0.000 1.908 25 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 25 A C 2.373 179.976 177.584 0.033 0.000 1.181 25 A CA 1.785 53.855 52.037 0.054 0.000 0.627 25 A CB -1.344 17.663 19.000 0.011 0.000 0.818 25 A HN 0.299 nan 8.150 nan 0.000 0.445 26 A N -0.427 122.396 122.820 0.005 0.000 2.178 26 A HA 0.116 4.436 4.320 -0.000 0.000 0.218 26 A C 1.770 179.354 177.584 -0.001 0.000 1.157 26 A CA 1.687 53.718 52.037 -0.010 0.000 0.689 26 A CB -0.737 18.243 19.000 -0.034 0.000 0.787 26 A HN 1.320 nan 8.150 nan 0.000 0.465 27 V N -4.919 115.007 119.914 0.021 0.000 3.176 27 V HA 0.593 4.713 4.120 -0.000 0.000 0.332 27 V C 0.904 177.033 176.094 0.058 0.000 1.414 27 V CA 0.553 62.872 62.300 0.033 0.000 1.133 27 V CB -0.689 31.153 31.823 0.032 0.000 1.088 27 V HN 1.428 nan 8.190 nan 0.000 0.473 28 G N 1.251 110.084 108.800 0.055 0.000 2.160 28 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.244 28 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.244 28 G C -0.253 174.685 174.900 0.064 0.000 1.022 28 G CA 0.375 45.505 45.100 0.049 0.000 0.741 28 G HN 0.537 nan 8.290 nan 0.000 0.508 29 I N 0.744 121.378 120.570 0.106 0.000 2.433 29 I HA 0.350 4.520 4.170 -0.000 0.000 0.292 29 I C -0.728 175.425 176.117 0.060 0.000 1.001 29 I CA -0.948 60.409 61.300 0.095 0.000 1.119 29 I CB 1.799 39.907 38.000 0.180 0.000 1.289 29 I HN 0.098 nan 8.210 nan 0.000 0.438 30 D N 6.060 126.463 120.400 0.006 0.000 2.428 30 D HA 0.143 4.783 4.640 -0.000 0.000 0.221 30 D C 1.207 177.483 176.300 -0.040 0.000 1.123 30 D CA -0.426 53.569 54.000 -0.007 0.000 0.869 30 D CB 1.328 42.133 40.800 0.009 0.000 1.032 30 D HN 0.381 nan 8.370 nan 0.000 0.506 31 V N 2.351 122.212 119.914 -0.089 0.000 2.469 31 V HA -0.167 3.952 4.120 -0.000 0.000 0.251 31 V C 1.705 177.866 176.094 0.112 0.000 1.064 31 V CA 1.221 63.460 62.300 -0.101 0.000 1.066 31 V CB -0.348 31.290 31.823 -0.308 0.000 0.667 31 V HN 0.357 nan 8.190 nan 0.000 0.461 32 E N 0.563 120.853 120.200 0.149 0.000 2.051 32 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 32 E C 2.221 178.905 176.600 0.138 0.000 0.991 32 E CA 1.791 58.329 56.400 0.231 0.000 0.799 32 E CB -0.247 29.565 29.700 0.188 0.000 0.748 32 E HN 0.776 nan 8.360 nan 0.000 0.449 33 E N 1.068 121.312 120.200 0.074 0.000 2.110 33 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 33 E C 1.860 178.484 176.600 0.039 0.000 0.988 33 E CA 1.330 57.756 56.400 0.042 0.000 0.804 33 E CB -0.281 29.428 29.700 0.015 0.000 0.745 33 E HN 0.201 nan 8.360 nan 0.000 0.458 34 A N 0.587 123.423 122.820 0.027 0.000 1.908 34 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 34 A C 2.305 179.915 177.584 0.043 0.000 1.181 34 A CA 1.533 53.577 52.037 0.012 0.000 0.627 34 A CB -0.797 18.177 19.000 -0.043 0.000 0.818 34 A HN 0.350 nan 8.150 nan 0.000 0.445 35 L N -1.200 120.091 121.223 0.113 0.000 2.042 35 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 35 L C 2.908 179.891 176.870 0.189 0.000 1.076 35 L CA 1.697 56.642 54.840 0.176 0.000 0.749 35 L CB -0.583 41.656 42.059 0.300 0.000 0.893 35 L HN 0.390 nan 8.230 nan 0.000 0.432 36 R N -0.530 120.052 120.500 0.136 0.000 2.075 36 R HA -0.144 4.196 4.340 -0.000 0.000 0.232 36 R C 2.399 178.753 176.300 0.089 0.000 1.126 36 R CA 1.036 57.200 56.100 0.108 0.000 0.963 36 R CB -0.233 30.099 30.300 0.054 0.000 0.858 36 R HN 0.431 nan 8.270 nan 0.000 0.435 37 Q N 0.617 120.455 119.800 0.062 0.000 2.096 37 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 37 Q C 2.188 178.291 176.000 0.173 0.000 0.982 37 Q CA 1.070 56.924 55.803 0.084 0.000 0.850 37 Q CB -0.353 28.444 28.738 0.099 0.000 0.901 37 Q HN 0.205 nan 8.270 nan 0.000 0.422 38 L N 1.749 123.020 121.223 0.080 0.000 2.127 38 L HA -0.161 4.179 4.340 -0.000 0.000 0.211 38 L C 1.319 178.260 176.870 0.119 0.000 1.089 38 L CA 1.816 56.651 54.840 -0.007 0.000 0.757 38 L CB -0.550 41.297 42.059 -0.354 0.000 0.899 38 L HN 0.046 nan 8.230 nan 0.000 0.434 39 D N -0.496 120.040 120.400 0.227 0.000 2.350 39 D HA -0.090 4.550 4.640 -0.000 0.000 0.216 39 D C 1.738 178.144 176.300 0.176 0.000 0.968 39 D CA 0.657 54.818 54.000 0.269 0.000 0.894 39 D CB 0.003 40.976 40.800 0.289 0.000 0.909 39 D HN 0.413 nan 8.370 nan 0.000 0.520 40 R N -0.223 120.384 120.500 0.179 0.000 2.356 40 R HA 0.236 4.576 4.340 -0.000 0.000 0.234 40 R C 0.100 176.536 176.300 0.227 0.000 0.929 40 R CA 0.056 56.273 56.100 0.195 0.000 1.084 40 R CB 0.420 30.851 30.300 0.219 0.000 1.105 40 R HN 0.036 nan 8.270 nan 0.000 0.515 41 L N 1.844 123.157 121.223 0.148 0.000 2.462 41 L HA 0.380 4.720 4.340 -0.000 0.000 0.255 41 L C -2.456 174.430 176.870 0.027 0.000 1.076 41 L CA -2.119 52.754 54.840 0.054 0.000 0.920 41 L CB 1.629 43.678 42.059 -0.017 0.000 1.214 41 L HN -0.195 nan 8.230 nan 0.000 0.472 42 P HA 0.179 nan 4.420 nan 0.000 0.272 42 P C -0.647 176.654 177.300 0.002 0.000 1.230 42 P CA -0.237 62.873 63.100 0.016 0.000 0.788 42 P CB 1.353 33.065 31.700 0.020 0.000 0.949 43 V N 1.186 121.096 119.914 -0.006 0.000 2.487 43 V HA 0.262 4.382 4.120 -0.000 0.000 0.298 43 V C 0.305 176.385 176.094 -0.023 0.000 1.028 43 V CA -0.474 61.821 62.300 -0.010 0.000 0.860 43 V CB 1.598 33.417 31.823 -0.006 0.000 0.991 43 V HN 0.539 nan 8.190 nan 0.000 0.427 44 S N 6.910 122.604 115.700 -0.009 0.000 2.422 44 S HA 0.479 4.949 4.470 -0.000 0.000 0.283 44 S C -0.021 174.539 174.600 -0.067 0.000 1.163 44 S CA -0.600 57.586 58.200 -0.024 0.000 1.054 44 S CB -0.175 63.041 63.200 0.026 0.000 0.967 44 S HN 0.587 nan 8.310 nan 0.000 0.499 45 M N 6.196 125.718 119.600 -0.130 0.000 2.217 45 M HA 0.244 4.723 4.480 -0.000 0.000 0.354 45 M C 0.366 176.523 176.300 -0.238 0.000 1.225 45 M CA -0.587 54.598 55.300 -0.190 0.000 1.137 45 M CB 0.463 32.810 32.600 -0.422 0.000 1.576 45 M HN 0.644 nan 8.290 nan 0.000 0.461 46 H N 1.990 120.767 119.070 -0.489 0.000 2.668 46 H HA 0.147 4.703 4.556 -0.000 0.000 0.303 46 H C 0.916 175.885 175.328 -0.597 0.000 1.074 46 H CA -1.180 54.303 56.048 -0.942 0.000 1.406 46 H CB 0.382 29.027 29.762 -1.862 0.000 1.442 46 H HN 1.052 nan 8.280 nan 0.000 0.482 47 C N 2.881 121.875 119.300 -0.510 0.000 2.422 47 C HA -0.110 4.350 4.460 -0.000 0.000 0.279 47 C C 2.328 177.205 174.990 -0.188 0.000 1.305 47 C CA 0.163 59.021 59.018 -0.267 0.000 1.757 47 C CB -1.957 25.502 27.740 -0.469 0.000 1.962 47 C HN 0.982 nan 8.230 nan 0.000 0.499 48 W N 1.960 123.100 121.300 -0.266 0.000 2.468 48 W HA 0.008 4.668 4.660 -0.000 0.000 0.262 48 W C 2.120 178.555 176.519 -0.139 0.000 1.241 48 W CA 0.851 58.093 57.345 -0.171 0.000 1.232 48 W CB -1.023 28.361 29.460 -0.127 0.000 1.124 48 W HN 0.354 nan 8.180 nan 0.000 0.597 49 Q N 1.863 121.338 119.800 -0.542 0.000 2.291 49 Q HA 0.022 4.362 4.340 -0.000 0.000 0.205 49 Q C 2.173 177.768 176.000 -0.674 0.000 0.970 49 Q CA 2.230 57.638 55.803 -0.659 0.000 0.876 49 Q CB -0.788 27.136 28.738 -1.357 0.000 0.935 49 Q HN 0.368 nan 8.270 nan 0.000 0.455 50 G N 0.165 108.667 108.800 -0.497 0.000 2.464 50 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.217 50 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.217 50 G C 0.364 175.299 174.900 0.058 0.000 1.138 50 G CA 0.742 45.715 45.100 -0.212 0.000 0.793 50 G HN 0.601 nan 8.290 nan 0.000 0.539 51 D N -0.674 119.815 120.400 0.148 0.000 2.673 51 D HA 0.128 4.768 4.640 -0.000 0.000 0.278 51 D C -0.451 175.938 176.300 0.147 0.000 1.393 51 D CA -0.586 53.527 54.000 0.189 0.000 0.805 51 D CB -0.364 40.607 40.800 0.286 0.000 1.110 51 D HN 0.014 nan 8.370 nan 0.000 0.476 52 D N 0.731 121.197 120.400 0.109 0.000 2.705 52 D HA -0.164 4.476 4.640 -0.000 0.000 0.240 52 D C 0.838 177.191 176.300 0.089 0.000 1.137 52 D CA 0.847 54.905 54.000 0.096 0.000 0.677 52 D CB -1.725 39.128 40.800 0.089 0.000 1.049 52 D HN 0.280 nan 8.370 nan 0.000 0.427 53 V N -1.620 118.388 119.914 0.158 0.000 3.669 53 V HA -0.395 3.725 4.120 -0.000 0.000 0.202 53 V C 2.029 178.167 176.094 0.074 0.000 0.483 53 V CA 1.782 64.166 62.300 0.140 0.000 1.003 53 V CB -2.169 29.564 31.823 -0.151 0.000 1.111 53 V HN 0.478 nan 8.190 nan 0.000 1.168 54 S N -0.570 115.161 115.700 0.052 0.000 2.377 54 S HA 0.365 4.835 4.470 -0.000 0.000 0.223 54 S C 1.450 175.896 174.600 -0.257 0.000 1.030 54 S CA 1.330 59.503 58.200 -0.046 0.000 0.970 54 S CB 0.160 63.370 63.200 0.017 0.000 0.830 54 S HN 2.197 nan 8.310 nan 0.000 0.473 55 G N 0.840 109.239 108.800 -0.668 0.000 2.782 55 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.228 55 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.228 55 G C -0.239 174.210 174.900 -0.752 0.000 1.372 55 G CA -0.187 44.073 45.100 -1.399 0.000 0.862 55 G HN 0.280 nan 8.290 nan 0.000 0.547 56 F N 0.110 119.888 119.950 -0.287 0.000 2.688 56 F HA 0.346 4.873 4.527 -0.000 0.000 0.310 56 F C 2.059 177.818 175.800 -0.067 0.000 1.098 56 F CA 0.209 58.150 58.000 -0.098 0.000 1.228 56 F CB 0.278 39.274 39.000 -0.006 0.000 1.042 56 F HN 0.606 nan 8.300 nan 0.000 0.557 57 E N 0.750 120.964 120.200 0.023 0.000 2.016 57 E HA -0.152 4.197 4.350 -0.000 0.000 0.190 57 E C 0.462 177.072 176.600 0.016 0.000 0.985 57 E CA 1.128 57.540 56.400 0.020 0.000 0.802 57 E CB 0.054 29.746 29.700 -0.013 0.000 0.762 57 E HN 0.123 nan 8.360 nan 0.000 0.448 58 N N -0.430 118.268 118.700 -0.004 0.000 2.700 58 N HA 0.097 4.837 4.740 -0.000 0.000 0.242 58 N C -2.418 173.090 175.510 -0.004 0.000 1.541 58 N CA -1.228 51.820 53.050 -0.003 0.000 0.764 58 N CB 0.814 39.289 38.487 -0.020 0.000 1.319 58 N HN -0.195 nan 8.380 nan 0.000 0.518 59 P HA -0.214 nan 4.420 nan 0.000 0.210 59 P C -0.542 176.771 177.300 0.021 0.000 1.151 59 P CA 1.483 64.597 63.100 0.023 0.000 0.949 59 P CB 0.107 31.861 31.700 0.090 0.000 0.786 60 E N -0.071 120.147 120.200 0.030 0.000 2.029 60 E HA 0.398 4.748 4.350 -0.000 0.000 0.276 60 E C 0.345 176.955 176.600 0.016 0.000 1.163 60 E CA 0.050 56.466 56.400 0.027 0.000 0.909 60 E CB -0.543 29.174 29.700 0.028 0.000 1.046 60 E HN 0.285 nan 8.360 nan 0.000 0.406 61 G N 2.297 111.107 108.800 0.017 0.000 4.494 61 G HA2 0.055 4.015 3.960 -0.000 0.000 0.238 61 G HA3 0.055 4.015 3.960 -0.000 0.000 0.238 61 G C -0.504 174.409 174.900 0.022 0.000 3.102 61 G CA -0.731 44.376 45.100 0.011 0.000 0.616 61 G HN 0.352 nan 8.290 nan 0.000 0.237 62 S N -0.453 115.264 115.700 0.029 0.000 3.910 62 S HA -0.212 4.258 4.470 -0.000 0.000 0.807 62 S C 0.404 175.038 174.600 0.056 0.000 1.063 62 S CA 0.083 58.306 58.200 0.039 0.000 1.185 62 S CB -0.175 63.046 63.200 0.035 0.000 1.659 62 S HN 1.045 nan 8.310 nan 0.000 0.369 63 L N 4.823 126.078 121.223 0.054 0.000 2.433 63 L HA 0.340 4.680 4.340 -0.000 0.000 0.275 63 L C 1.076 177.981 176.870 0.058 0.000 1.128 63 L CA 0.343 55.217 54.840 0.055 0.000 0.875 63 L CB 0.205 42.273 42.059 0.015 0.000 1.171 63 L HN 0.964 nan 8.230 nan 0.000 0.463 64 T N 0.278 114.894 114.554 0.103 0.000 2.841 64 T HA 0.751 5.101 4.350 -0.000 0.000 0.276 64 T C 0.660 175.394 174.700 0.057 0.000 1.003 64 T CA 0.073 62.223 62.100 0.083 0.000 0.995 64 T CB 1.912 70.839 68.868 0.099 0.000 1.260 64 T HN 0.789 nan 8.240 nan 0.000 0.581 65 G N -1.257 107.575 108.800 0.053 0.000 2.184 65 G HA2 0.302 4.262 3.960 -0.000 0.000 0.206 65 G HA3 0.302 4.262 3.960 -0.000 0.000 0.206 65 G C 1.145 176.098 174.900 0.088 0.000 0.995 65 G CA 0.514 45.657 45.100 0.072 0.000 0.651 65 G HN 2.385 nan 8.290 nan 0.000 0.511 66 G N -0.609 108.217 108.800 0.044 0.000 2.157 66 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.248 66 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.248 66 G C 0.408 175.357 174.900 0.082 0.000 0.979 66 G CA 0.672 45.803 45.100 0.051 0.000 0.650 66 G HN 2.041 nan 8.290 nan 0.000 0.529 67 I N -2.143 118.456 120.570 0.049 0.000 2.412 67 I HA 0.834 5.004 4.170 -0.000 0.000 0.296 67 I C -0.104 176.106 176.117 0.154 0.000 0.987 67 I CA -1.059 60.282 61.300 0.068 0.000 1.180 67 I CB 1.597 39.502 38.000 -0.157 0.000 1.340 67 I HN 0.033 nan 8.210 nan 0.000 0.455 68 Q N 3.986 123.972 119.800 0.310 0.000 2.421 68 Q HA 0.723 5.063 4.340 -0.000 0.000 0.280 68 Q C -1.267 174.923 176.000 0.317 0.000 1.085 68 Q CA -1.158 54.818 55.803 0.288 0.000 0.807 68 Q CB 2.880 31.825 28.738 0.344 0.000 1.405 68 Q HN 0.905 nan 8.270 nan 0.000 0.419 69 A N 1.387 124.340 122.820 0.221 0.000 2.277 69 A HA 0.561 4.881 4.320 -0.000 0.000 0.318 69 A C -0.216 177.460 177.584 0.154 0.000 1.339 69 A CA -0.519 51.639 52.037 0.202 0.000 0.875 69 A CB 0.418 19.506 19.000 0.147 0.000 1.158 69 A HN 0.598 nan 8.150 nan 0.000 0.514 70 T N -0.128 114.509 114.554 0.139 0.000 2.794 70 T HA 0.724 5.074 4.350 -0.000 0.000 0.280 70 T C 0.783 175.527 174.700 0.073 0.000 0.987 70 T CA 0.369 62.533 62.100 0.107 0.000 0.993 70 T CB 1.522 70.466 68.868 0.126 0.000 0.939 70 T HN 2.070 nan 8.240 nan 0.000 0.449 71 G N 3.957 112.805 108.800 0.082 0.000 3.330 71 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.197 71 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.197 71 G C 0.474 175.445 174.900 0.119 0.000 1.284 71 G CA 0.401 45.557 45.100 0.093 0.000 0.921 71 G HN 2.085 nan 8.290 nan 0.000 0.466 72 N N -1.417 117.353 118.700 0.117 0.000 2.714 72 N HA -0.275 4.465 4.740 -0.000 0.000 0.250 72 N C 0.110 175.699 175.510 0.131 0.000 1.117 72 N CA 1.507 54.621 53.050 0.107 0.000 0.719 72 N CB -2.316 36.214 38.487 0.071 0.000 1.081 72 N HN 1.344 nan 8.380 nan 0.000 0.557 73 Y N 1.087 121.407 120.300 0.033 0.000 2.550 73 Y HA 0.346 4.896 4.550 -0.000 0.000 0.343 73 Y C -1.684 174.238 175.900 0.037 0.000 1.245 73 Y CA -1.152 56.967 58.100 0.033 0.000 1.462 73 Y CB 0.583 39.062 38.460 0.032 0.000 1.340 73 Y HN 0.210 nan 8.280 nan 0.000 0.604 74 P HA 0.307 nan 4.420 nan 0.000 0.278 74 P C -0.143 177.167 177.300 0.018 0.000 1.258 74 P CA 0.427 63.433 63.100 -0.156 0.000 0.811 74 P CB 1.164 32.715 31.700 -0.248 0.000 1.063 75 G N -0.165 108.665 108.800 0.050 0.000 2.134 75 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.209 75 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.209 75 G C 0.080 175.064 174.900 0.140 0.000 0.993 75 G CA 0.159 45.318 45.100 0.097 0.000 0.669 75 G HN 0.869 nan 8.290 nan 0.000 0.519 76 K N 0.276 120.756 120.400 0.132 0.000 2.414 76 K HA 0.631 4.951 4.320 -0.000 0.000 0.272 76 K C 0.776 177.468 176.600 0.155 0.000 0.993 76 K CA 0.051 56.423 56.287 0.143 0.000 0.964 76 K CB 0.834 33.410 32.500 0.128 0.000 0.925 76 K HN 1.088 nan 8.250 nan 0.000 0.487 77 A N 2.717 125.654 122.820 0.196 0.000 2.483 77 A HA 0.062 4.382 4.320 -0.000 0.000 0.238 77 A C 0.357 178.079 177.584 0.229 0.000 1.070 77 A CA -0.258 51.916 52.037 0.229 0.000 0.770 77 A CB 0.108 19.293 19.000 0.308 0.000 1.008 77 A HN 0.931 nan 8.150 nan 0.000 0.497 78 R N 0.519 121.134 120.500 0.192 0.000 2.476 78 R HA 0.154 4.494 4.340 -0.000 0.000 0.276 78 R C 0.012 176.411 176.300 0.165 0.000 0.941 78 R CA 0.549 56.753 56.100 0.173 0.000 1.088 78 R CB 0.174 30.533 30.300 0.099 0.000 1.216 78 R HN 0.977 nan 8.270 nan 0.000 0.533 79 N N -2.374 116.396 118.700 0.117 0.000 3.179 79 N HA 0.159 4.899 4.740 -0.000 0.000 0.250 79 N C 0.069 175.351 175.510 -0.380 0.000 1.507 79 N CA -0.356 52.529 53.050 -0.276 0.000 0.883 79 N CB 0.924 39.242 38.487 -0.282 0.000 1.435 79 N HN -0.161 nan 8.380 nan 0.000 0.532 80 A N 0.695 122.938 122.820 -0.962 0.000 1.972 80 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 80 A C 2.102 179.497 177.584 -0.315 0.000 1.169 80 A CA 2.109 53.851 52.037 -0.491 0.000 0.635 80 A CB -0.854 17.742 19.000 -0.673 0.000 0.810 80 A HN 0.620 nan 8.150 nan 0.000 0.446 81 S N -0.331 115.195 115.700 -0.290 0.000 2.348 81 S HA -0.163 4.306 4.470 -0.000 0.000 0.221 81 S C 1.893 176.458 174.600 -0.059 0.000 1.033 81 S CA 1.525 59.615 58.200 -0.183 0.000 1.010 81 S CB -0.335 62.784 63.200 -0.135 0.000 0.891 81 S HN 0.718 nan 8.310 nan 0.000 0.442 82 E N 0.603 120.807 120.200 0.006 0.000 2.077 82 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 82 E C 2.111 178.825 176.600 0.190 0.000 0.989 82 E CA 0.872 57.339 56.400 0.111 0.000 0.800 82 E CB -0.278 29.497 29.700 0.126 0.000 0.746 82 E HN 0.208 nan 8.360 nan 0.000 0.452 83 L N 1.531 122.895 121.223 0.234 0.000 2.012 83 L HA -0.210 4.129 4.340 -0.000 0.000 0.210 83 L C 2.223 179.217 176.870 0.207 0.000 1.073 83 L CA 1.776 56.825 54.840 0.348 0.000 0.748 83 L CB -0.266 42.149 42.059 0.593 0.000 0.891 83 L HN -0.043 nan 8.230 nan 0.000 0.431 84 R N -1.009 119.483 120.500 -0.014 0.000 2.081 84 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 84 R C 2.234 178.570 176.300 0.059 0.000 1.131 84 R CA 1.270 57.224 56.100 -0.244 0.000 0.960 84 R CB -0.632 29.201 30.300 -0.778 0.000 0.856 84 R HN 0.521 nan 8.270 nan 0.000 0.436 85 A N 1.532 124.416 122.820 0.107 0.000 1.908 85 A HA -0.212 4.107 4.320 -0.000 0.000 0.218 85 A C 1.542 179.242 177.584 0.194 0.000 1.181 85 A CA 1.926 54.083 52.037 0.200 0.000 0.627 85 A CB -0.413 18.745 19.000 0.264 0.000 0.818 85 A HN 0.184 nan 8.150 nan 0.000 0.445 86 D N -0.079 120.476 120.400 0.259 0.000 2.117 86 D HA -0.092 4.548 4.640 -0.000 0.000 0.198 86 D C 1.942 178.326 176.300 0.141 0.000 0.982 86 D CA 0.911 55.067 54.000 0.259 0.000 0.828 86 D CB -0.390 40.674 40.800 0.439 0.000 0.967 86 D HN 0.435 nan 8.370 nan 0.000 0.464 87 L N 0.797 122.072 121.223 0.088 0.000 2.042 87 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 87 L C 2.361 179.212 176.870 -0.032 0.000 1.076 87 L CA 1.310 56.061 54.840 -0.148 0.000 0.749 87 L CB -0.299 41.729 42.059 -0.050 0.000 0.893 87 L HN 0.025 nan 8.230 nan 0.000 0.432 88 E N -0.808 119.466 120.200 0.124 0.000 2.058 88 E HA -0.268 4.081 4.350 -0.000 0.000 0.194 88 E C 2.292 178.862 176.600 -0.051 0.000 0.997 88 E CA 0.988 57.434 56.400 0.076 0.000 0.801 88 E CB -0.028 29.756 29.700 0.140 0.000 0.746 88 E HN 0.350 nan 8.360 nan 0.000 0.450 89 Q N 0.174 119.896 119.800 -0.130 0.000 2.061 89 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 89 Q C 2.165 178.085 176.000 -0.134 0.000 0.984 89 Q CA 1.727 57.390 55.803 -0.233 0.000 0.846 89 Q CB -0.605 27.793 28.738 -0.566 0.000 0.902 89 Q HN 0.303 nan 8.270 nan 0.000 0.421 90 A N 0.357 123.114 122.820 -0.104 0.000 1.883 90 A HA -0.218 4.101 4.320 -0.000 0.000 0.217 90 A C 2.224 179.729 177.584 -0.131 0.000 1.186 90 A CA 2.038 54.029 52.037 -0.077 0.000 0.624 90 A CB -0.629 18.325 19.000 -0.075 0.000 0.822 90 A HN 0.416 nan 8.150 nan 0.000 0.444 91 M N -0.383 119.126 119.600 -0.152 0.000 2.149 91 M HA -0.194 4.286 4.480 -0.000 0.000 0.261 91 M C 2.196 178.426 176.300 -0.116 0.000 1.064 91 M CA 1.941 57.153 55.300 -0.147 0.000 1.102 91 M CB -0.367 32.144 32.600 -0.148 0.000 1.369 91 M HN 0.618 nan 8.290 nan 0.000 0.408 92 R N 0.786 121.232 120.500 -0.090 0.000 2.280 92 R HA -0.059 4.280 4.340 -0.000 0.000 0.207 92 R C 1.111 177.376 176.300 -0.058 0.000 1.043 92 R CA 0.954 57.013 56.100 -0.068 0.000 1.006 92 R CB -0.489 29.784 30.300 -0.045 0.000 0.885 92 R HN 0.396 nan 8.270 nan 0.000 0.467 93 L N 0.851 122.028 121.223 -0.077 0.000 2.640 93 L HA 0.390 4.730 4.340 -0.000 0.000 0.230 93 L C 0.156 176.937 176.870 -0.148 0.000 1.123 93 L CA -0.180 54.610 54.840 -0.083 0.000 0.900 93 L CB 0.370 42.380 42.059 -0.082 0.000 1.146 93 L HN 0.083 nan 8.230 nan 0.000 0.484 94 I N 1.736 122.226 120.570 -0.133 0.000 2.410 94 I HA 0.314 4.484 4.170 -0.000 0.000 0.286 94 I C -2.341 173.694 176.117 -0.137 0.000 1.009 94 I CA -1.995 59.240 61.300 -0.109 0.000 1.111 94 I CB 2.125 40.061 38.000 -0.106 0.000 1.262 94 I HN -0.209 nan 8.210 nan 0.000 0.443 95 P HA 0.272 nan 4.420 nan 0.000 0.275 95 P C 0.311 177.292 177.300 -0.532 0.000 1.227 95 P CA 0.621 63.476 63.100 -0.409 0.000 0.781 95 P CB 1.100 32.487 31.700 -0.522 0.000 0.906 96 G N 3.515 111.655 108.800 -1.100 0.000 2.760 96 G HA2 -0.119 3.840 3.960 -0.000 0.000 0.246 96 G HA3 -0.119 3.840 3.960 -0.000 0.000 0.246 96 G C -2.924 171.851 174.900 -0.209 0.000 1.359 96 G CA -0.858 43.799 45.100 -0.739 0.000 0.861 96 G HN 0.576 nan 8.290 nan 0.000 0.541 97 P HA 0.253 nan 4.420 nan 0.000 0.265 97 P C -0.428 176.850 177.300 -0.037 0.000 1.193 97 P CA 0.567 63.655 63.100 -0.021 0.000 0.765 97 P CB 0.721 32.439 31.700 0.031 0.000 0.823 98 K N 2.658 123.022 120.400 -0.059 0.000 2.509 98 K HA 0.682 5.002 4.320 -0.000 0.000 0.266 98 K C -0.253 176.304 176.600 -0.070 0.000 0.987 98 K CA -0.998 55.244 56.287 -0.074 0.000 0.868 98 K CB 2.499 34.930 32.500 -0.116 0.000 1.421 98 K HN 0.392 nan 8.250 nan 0.000 0.444 99 R N -0.041 120.418 120.500 -0.068 0.000 2.808 99 R HA 0.504 4.844 4.340 -0.000 0.000 0.272 99 R C -1.319 174.938 176.300 -0.071 0.000 0.995 99 R CA -1.113 54.955 56.100 -0.054 0.000 0.917 99 R CB 1.507 31.799 30.300 -0.013 0.000 1.217 99 R HN 0.432 nan 8.270 nan 0.000 0.471 100 L N 1.529 122.722 121.223 -0.049 0.000 2.296 100 L HA 0.450 4.790 4.340 -0.000 0.000 0.286 100 L C -1.045 175.788 176.870 -0.061 0.000 1.023 100 L CA -0.416 54.385 54.840 -0.064 0.000 0.812 100 L CB 1.448 43.524 42.059 0.029 0.000 1.223 100 L HN 0.479 nan 8.230 nan 0.000 0.421 101 N N 5.024 123.676 118.700 -0.079 0.000 2.501 101 N HA 0.436 5.176 4.740 -0.000 0.000 0.245 101 N C -1.404 174.136 175.510 0.051 0.000 0.974 101 N CA -0.194 52.872 53.050 0.027 0.000 0.941 101 N CB 0.435 38.954 38.487 0.054 0.000 1.122 101 N HN 0.608 nan 8.380 nan 0.000 0.507 102 L N 2.366 123.653 121.223 0.105 0.000 2.334 102 L HA 0.393 4.733 4.340 -0.000 0.000 0.275 102 L C 0.533 177.437 176.870 0.056 0.000 1.036 102 L CA -0.846 54.038 54.840 0.075 0.000 0.807 102 L CB 1.278 43.420 42.059 0.138 0.000 1.231 102 L HN 0.411 nan 8.230 nan 0.000 0.438 103 H N 0.671 119.786 119.070 0.074 0.000 2.479 103 H HA 0.260 4.816 4.556 -0.000 0.000 0.335 103 H C 0.509 175.991 175.328 0.256 0.000 1.142 103 H CA 0.109 56.199 56.048 0.070 0.000 1.234 103 H CB 2.278 32.162 29.762 0.203 0.000 1.503 103 H HN 0.796 nan 8.280 nan 0.000 0.510 104 A N 4.145 127.043 122.820 0.130 0.000 1.997 104 A HA -0.205 4.114 4.320 -0.000 0.000 0.221 104 A C 2.134 180.079 177.584 0.601 0.000 1.172 104 A CA 1.929 54.270 52.037 0.507 0.000 0.645 104 A CB -0.950 18.353 19.000 0.506 0.000 0.813 104 A HN 0.781 nan 8.150 nan 0.000 0.454 105 I N -5.150 115.630 120.570 0.350 0.000 3.334 105 I HA 0.002 4.172 4.170 -0.000 0.000 0.282 105 I C 1.048 177.076 176.117 -0.149 0.000 1.313 105 I CA 0.782 62.117 61.300 0.059 0.000 1.396 105 I CB -0.345 37.557 38.000 -0.163 0.000 1.054 105 I HN 0.215 nan 8.210 nan 0.000 0.495 106 Y N 2.363 122.794 120.300 0.217 0.000 2.524 106 Y HA 0.386 4.936 4.550 -0.000 0.000 0.266 106 Y C 1.193 177.512 175.900 0.697 0.000 1.180 106 Y CA -1.107 57.088 58.100 0.158 0.000 1.244 106 Y CB -0.237 38.271 38.460 0.080 0.000 1.125 106 Y HN 0.243 nan 8.280 nan 0.000 0.524 107 L N -0.582 120.934 121.223 0.488 0.000 2.479 107 L HA 0.256 4.596 4.340 -0.000 0.000 0.270 107 L C -0.351 176.638 176.870 0.199 0.000 1.236 107 L CA -0.068 54.729 54.840 -0.072 0.000 0.823 107 L CB 0.708 42.568 42.059 -0.332 0.000 1.098 107 L HN 0.117 nan 8.230 nan 0.000 0.500 108 E N 1.683 121.895 120.200 0.020 0.000 2.220 108 E HA 0.472 4.821 4.350 -0.000 0.000 0.256 108 E C -1.195 175.405 176.600 0.000 0.000 0.881 108 E CA -0.435 55.981 56.400 0.027 0.000 0.766 108 E CB 1.848 31.519 29.700 -0.048 0.000 1.187 108 E HN 0.660 nan 8.360 nan 0.000 0.419 109 S N 2.350 118.049 115.700 -0.001 0.000 2.543 109 S HA 0.134 4.603 4.470 -0.000 0.000 0.271 109 S C 0.028 174.627 174.600 -0.002 0.000 1.148 109 S CA -0.656 57.555 58.200 0.018 0.000 0.914 109 S CB 1.308 64.499 63.200 -0.014 0.000 1.096 109 S HN 0.444 nan 8.310 nan 0.000 0.471 110 D N 2.035 122.438 120.400 0.005 0.000 2.117 110 D HA -0.019 4.621 4.640 -0.000 0.000 0.197 110 D C 1.091 177.388 176.300 -0.005 0.000 0.987 110 D CA 1.707 55.704 54.000 -0.005 0.000 0.829 110 D CB -0.072 40.728 40.800 -0.001 0.000 0.961 110 D HN 0.761 nan 8.370 nan 0.000 0.460 111 T N -1.212 113.343 114.554 0.001 0.000 2.940 111 T HA 0.520 4.870 4.350 -0.000 0.000 0.288 111 T C -2.791 171.898 174.700 -0.018 0.000 1.033 111 T CA -2.069 60.029 62.100 -0.004 0.000 1.033 111 T CB 1.957 70.828 68.868 0.005 0.000 1.079 111 T HN -0.291 nan 8.240 nan 0.000 0.496 112 P HA 0.333 nan 4.420 nan 0.000 0.267 112 P C -1.009 176.265 177.300 -0.043 0.000 1.200 112 P CA -0.410 62.673 63.100 -0.028 0.000 0.772 112 P CB 0.392 32.081 31.700 -0.018 0.000 0.855 113 V N 1.812 121.683 119.914 -0.071 0.000 2.531 113 V HA 0.266 4.386 4.120 -0.000 0.000 0.301 113 V C 0.433 176.518 176.094 -0.015 0.000 1.034 113 V CA -0.690 61.554 62.300 -0.094 0.000 0.865 113 V CB 1.661 33.306 31.823 -0.298 0.000 0.995 113 V HN 0.544 nan 8.190 nan 0.000 0.424 114 S N 3.825 119.543 115.700 0.031 0.000 2.549 114 S HA 0.162 4.632 4.470 -0.000 0.000 0.286 114 S C 1.458 176.100 174.600 0.071 0.000 1.314 114 S CA -0.215 58.046 58.200 0.101 0.000 1.062 114 S CB 0.400 63.680 63.200 0.132 0.000 0.865 114 S HN 0.714 nan 8.310 nan 0.000 0.498 115 R N 1.932 122.467 120.500 0.059 0.000 2.105 115 R HA -0.110 4.230 4.340 -0.000 0.000 0.239 115 R C 1.252 177.476 176.300 -0.126 0.000 1.135 115 R CA 1.704 57.714 56.100 -0.149 0.000 0.967 115 R CB -0.426 29.524 30.300 -0.583 0.000 0.861 115 R HN 0.796 nan 8.270 nan 0.000 0.442 116 D N 0.234 120.419 120.400 -0.357 0.000 2.371 116 D HA -0.111 4.528 4.640 -0.000 0.000 0.234 116 D C 0.571 176.838 176.300 -0.056 0.000 1.049 116 D CA 0.601 54.405 54.000 -0.327 0.000 0.907 116 D CB 0.103 40.605 40.800 -0.497 0.000 0.891 116 D HN 0.224 nan 8.370 nan 0.000 0.531 117 Q N 0.578 120.399 119.800 0.036 0.000 2.084 117 Q HA 0.226 4.565 4.340 -0.000 0.000 0.230 117 Q C 0.708 176.810 176.000 0.171 0.000 0.806 117 Q CA -0.373 55.480 55.803 0.084 0.000 1.083 117 Q CB 0.745 29.531 28.738 0.081 0.000 1.208 117 Q HN 0.489 nan 8.270 nan 0.000 0.462 118 I N -1.157 119.543 120.570 0.217 0.000 2.938 118 I HA 0.313 4.483 4.170 -0.000 0.000 0.285 118 I C -0.332 176.034 176.117 0.415 0.000 1.182 118 I CA -0.231 61.305 61.300 0.394 0.000 1.388 118 I CB 0.583 38.868 38.000 0.475 0.000 1.390 118 I HN -0.210 nan 8.210 nan 0.000 0.600 119 K N 3.585 124.335 120.400 0.583 0.000 2.512 119 K HA 0.443 4.763 4.320 -0.000 0.000 0.263 119 K C -2.212 174.433 176.600 0.074 0.000 0.966 119 K CA -1.366 54.981 56.287 0.100 0.000 0.851 119 K CB 1.745 34.117 32.500 -0.213 0.000 1.395 119 K HN 0.167 nan 8.250 nan 0.000 0.440 120 P HA -0.323 nan 4.420 nan 0.000 0.218 120 P C 0.691 177.880 177.300 -0.185 0.000 1.154 120 P CA 1.605 64.513 63.100 -0.319 0.000 0.872 120 P CB 0.138 31.240 31.700 -0.996 0.000 0.790 121 E N -1.383 118.620 120.200 -0.328 0.000 2.331 121 E HA -0.237 4.112 4.350 -0.000 0.000 0.199 121 E C 1.195 177.723 176.600 -0.121 0.000 1.008 121 E CA 1.031 57.284 56.400 -0.244 0.000 0.843 121 E CB -0.950 28.562 29.700 -0.312 0.000 0.761 121 E HN 0.438 nan 8.360 nan 0.000 0.507 122 H N -1.023 118.096 119.070 0.081 0.000 2.556 122 H HA 0.069 4.625 4.556 -0.000 0.000 0.268 122 H C 0.226 175.308 175.328 -0.409 0.000 0.996 122 H CA 0.561 56.517 56.048 -0.154 0.000 1.157 122 H CB 0.001 29.619 29.762 -0.241 0.000 1.355 122 H HN 0.306 nan 8.280 nan 0.000 0.597 123 F N 0.007 120.208 119.950 0.418 0.000 2.729 123 F HA 0.198 4.725 4.527 0.000 0.000 0.315 123 F C 1.713 177.834 175.800 0.535 0.000 1.102 123 F CA -0.481 57.878 58.000 0.599 0.000 1.204 123 F CB 0.614 40.028 39.000 0.690 0.000 1.052 123 F HN -0.154 nan 8.300 nan 0.000 0.551 124 K N 0.775 121.456 120.400 0.467 0.000 2.089 124 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 124 K C 1.163 177.926 176.600 0.271 0.000 1.048 124 K CA 1.979 58.496 56.287 0.384 0.000 0.926 124 K CB -0.638 32.001 32.500 0.233 0.000 0.714 124 K HN 0.479 nan 8.250 nan 0.000 0.448 125 N N -0.237 118.551 118.700 0.147 0.000 2.188 125 N HA -0.145 4.594 4.740 -0.000 0.000 0.184 125 N C 1.824 177.368 175.510 0.056 0.000 1.018 125 N CA 0.949 54.007 53.050 0.013 0.000 0.858 125 N CB -0.171 38.194 38.487 -0.204 0.000 0.989 125 N HN 0.287 nan 8.380 nan 0.000 0.426 126 W N 1.132 122.568 121.300 0.226 0.000 2.335 126 W HA -0.149 4.511 4.660 -0.000 0.000 0.311 126 W C 2.214 178.862 176.519 0.215 0.000 1.213 126 W CA 0.429 57.911 57.345 0.228 0.000 1.274 126 W CB -0.574 29.054 29.460 0.279 0.000 1.148 126 W HN -0.148 nan 8.180 nan 0.000 0.498 127 V N 0.994 121.140 119.914 0.387 0.000 2.287 127 V HA -0.340 3.780 4.120 -0.000 0.000 0.248 127 V C 1.918 178.105 176.094 0.155 0.000 1.053 127 V CA 2.430 64.833 62.300 0.172 0.000 1.027 127 V CB -1.049 30.848 31.823 0.122 0.000 0.646 127 V HN 0.284 nan 8.190 nan 0.000 0.447 128 E N -0.870 119.439 120.200 0.182 0.000 2.085 128 E HA -0.312 4.038 4.350 -0.000 0.000 0.194 128 E C 1.975 178.666 176.600 0.152 0.000 0.994 128 E CA 1.775 58.255 56.400 0.132 0.000 0.801 128 E CB -0.422 29.346 29.700 0.113 0.000 0.743 128 E HN 0.775 nan 8.360 nan 0.000 0.453 129 W N 1.980 123.287 121.300 0.012 0.000 2.358 129 W HA -0.152 4.508 4.660 -0.000 0.000 0.303 129 W C 2.494 179.026 176.519 0.022 0.000 1.208 129 W CA 2.103 59.454 57.345 0.010 0.000 1.274 129 W CB -0.254 29.203 29.460 -0.004 0.000 1.138 129 W HN 0.072 nan 8.180 nan 0.000 0.515 130 A N 0.587 123.513 122.820 0.177 0.000 1.883 130 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 130 A C 1.949 179.429 177.584 -0.173 0.000 1.186 130 A CA 2.180 54.164 52.037 -0.088 0.000 0.624 130 A CB -0.921 18.098 19.000 0.031 0.000 0.822 130 A HN 0.353 nan 8.150 nan 0.000 0.444 131 K N -0.536 119.816 120.400 -0.080 0.000 2.020 131 K HA -0.160 4.159 4.320 -0.000 0.000 0.212 131 K C 2.244 178.769 176.600 -0.125 0.000 1.050 131 K CA 1.453 57.690 56.287 -0.083 0.000 0.929 131 K CB -0.365 32.115 32.500 -0.034 0.000 0.714 131 K HN 0.453 nan 8.250 nan 0.000 0.443 132 A N 1.174 123.911 122.820 -0.138 0.000 2.019 132 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 132 A C 1.483 178.911 177.584 -0.260 0.000 1.164 132 A CA 1.463 53.401 52.037 -0.165 0.000 0.644 132 A CB -0.239 18.676 19.000 -0.141 0.000 0.805 132 A HN 0.304 nan 8.150 nan 0.000 0.449 133 N N -0.266 118.185 118.700 -0.415 0.000 2.230 133 N HA 0.017 4.756 4.740 -0.000 0.000 0.202 133 N C -0.601 174.716 175.510 -0.322 0.000 1.119 133 N CA 0.194 52.964 53.050 -0.467 0.000 0.851 133 N CB 0.379 38.329 38.487 -0.895 0.000 0.990 133 N HN 0.308 nan 8.380 nan 0.000 0.497 134 Q N -0.014 119.645 119.800 -0.235 0.000 2.478 134 Q HA -0.161 4.178 4.340 -0.000 0.000 0.286 134 Q C -0.689 175.215 176.000 -0.161 0.000 1.299 134 Q CA 0.811 56.518 55.803 -0.160 0.000 0.826 134 Q CB -2.190 26.473 28.738 -0.125 0.000 1.199 134 Q HN 0.463 nan 8.270 nan 0.000 0.451 135 L N -0.366 120.741 121.223 -0.194 0.000 2.322 135 L HA 0.734 5.074 4.340 -0.000 0.000 0.281 135 L C 1.169 177.976 176.870 -0.105 0.000 1.014 135 L CA -0.685 54.058 54.840 -0.161 0.000 0.815 135 L CB 1.837 43.769 42.059 -0.211 0.000 1.247 135 L HN 0.194 nan 8.230 nan 0.000 0.421 136 G N 2.882 111.642 108.800 -0.066 0.000 2.539 136 G HA2 0.576 4.536 3.960 -0.000 0.000 0.258 136 G HA3 0.576 4.536 3.960 -0.000 0.000 0.258 136 G C -0.708 174.157 174.900 -0.059 0.000 1.202 136 G CA -0.451 44.623 45.100 -0.042 0.000 0.851 136 G HN 0.391 nan 8.290 nan 0.000 0.556 137 L N 0.564 121.741 121.223 -0.078 0.000 2.354 137 L HA 0.483 4.823 4.340 -0.000 0.000 0.269 137 L C -0.750 176.152 176.870 0.054 0.000 1.005 137 L CA -0.934 53.822 54.840 -0.139 0.000 0.819 137 L CB 2.344 44.049 42.059 -0.590 0.000 1.311 137 L HN 0.443 nan 8.230 nan 0.000 0.423 138 D N 0.762 121.238 120.400 0.128 0.000 2.423 138 D HA 0.566 5.206 4.640 -0.000 0.000 0.235 138 D C -1.370 175.186 176.300 0.426 0.000 1.011 138 D CA -0.161 53.982 54.000 0.238 0.000 0.963 138 D CB 3.227 44.108 40.800 0.136 0.000 1.349 138 D HN 0.078 nan 8.370 nan 0.000 0.508 139 F N 0.288 120.316 119.950 0.130 0.000 2.643 139 F HA 0.420 4.947 4.527 -0.000 0.000 0.314 139 F C -1.373 174.386 175.800 -0.068 0.000 1.096 139 F CA -0.577 57.460 58.000 0.061 0.000 0.953 139 F CB 1.881 40.882 39.000 0.001 0.000 1.345 139 F HN 0.175 nan 8.300 nan 0.000 0.468 140 N N 3.106 121.164 118.700 -1.070 0.000 2.406 140 N HA 0.294 5.034 4.740 -0.000 0.000 0.283 140 N C -3.173 171.729 175.510 -1.014 0.000 1.074 140 N CA -1.339 51.175 53.050 -0.894 0.000 0.916 140 N CB 2.880 40.702 38.487 -1.109 0.000 1.639 140 N HN 0.132 nan 8.380 nan 0.000 0.485 141 P HA 0.119 nan 4.420 nan 0.000 0.271 141 P C -0.581 176.831 177.300 0.186 0.000 1.218 141 P CA -0.154 62.810 63.100 -0.227 0.000 0.780 141 P CB 0.617 32.170 31.700 -0.246 0.000 0.901 142 S N 1.614 117.607 115.700 0.488 0.000 2.512 142 S HA 0.189 4.659 4.470 -0.000 0.000 0.291 142 S C 0.237 174.750 174.600 -0.145 0.000 1.151 142 S CA -0.437 57.818 58.200 0.091 0.000 1.120 142 S CB -0.550 62.504 63.200 -0.244 0.000 1.029 142 S HN 0.406 nan 8.310 nan 0.000 0.485 143 C N 3.954 123.204 119.300 -0.082 0.000 2.285 143 C HA 0.500 4.959 4.460 -0.000 0.000 0.361 143 C C 0.179 174.925 174.990 -0.408 0.000 1.361 143 C CA -0.831 57.894 59.018 -0.489 0.000 1.775 143 C CB -2.579 24.859 27.740 -0.504 0.000 2.409 143 C HN 0.819 nan 8.230 nan 0.000 0.572 144 F N -4.034 115.791 119.950 -0.209 0.000 2.923 144 F HA 0.664 5.191 4.527 -0.000 0.000 0.323 144 F C 0.397 176.224 175.800 0.045 0.000 1.189 144 F CA -1.182 56.747 58.000 -0.119 0.000 0.930 144 F CB -0.067 38.905 39.000 -0.048 0.000 1.414 144 F HN -0.193 nan 8.300 nan 0.000 0.496 145 S N 0.991 116.862 115.700 0.285 0.000 3.550 145 S HA -0.192 4.278 4.470 -0.000 0.000 0.372 145 S C -0.687 174.014 174.600 0.169 0.000 0.966 145 S CA 1.226 59.541 58.200 0.192 0.000 1.229 145 S CB -2.156 61.159 63.200 0.192 0.000 0.917 145 S HN 1.156 nan 8.310 nan 0.000 0.496 146 H N -1.017 118.108 119.070 0.092 0.000 3.046 146 H HA 0.293 4.849 4.556 -0.000 0.000 0.361 146 H C -2.708 172.691 175.328 0.120 0.000 1.235 146 H CA -1.466 54.654 56.048 0.121 0.000 1.146 146 H CB 1.795 31.750 29.762 0.321 0.000 1.859 146 H HN -0.087 nan 8.280 nan 0.000 0.548 147 P HA -0.061 nan 4.420 nan 0.000 0.218 147 P C 1.296 178.692 177.300 0.161 0.000 1.148 147 P CA 1.043 64.098 63.100 -0.074 0.000 0.822 147 P CB 0.358 31.902 31.700 -0.260 0.000 0.784 148 L N -0.947 120.582 121.223 0.510 0.000 2.629 148 L HA 0.132 4.472 4.340 -0.000 0.000 0.230 148 L C 1.442 178.750 176.870 0.730 0.000 1.151 148 L CA 0.696 55.815 54.840 0.466 0.000 0.924 148 L CB -0.547 41.580 42.059 0.113 0.000 1.137 148 L HN 0.119 nan 8.230 nan 0.000 0.457 149 S N -2.278 113.748 115.700 0.543 0.000 2.666 149 S HA 0.180 4.650 4.470 -0.000 0.000 0.239 149 S C 1.778 176.461 174.600 0.138 0.000 1.031 149 S CA 0.299 58.640 58.200 0.235 0.000 1.015 149 S CB 0.619 63.830 63.200 0.018 0.000 0.981 149 S HN 0.178 nan 8.310 nan 0.000 0.547 150 A N 2.160 125.085 122.820 0.175 0.000 2.024 150 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 150 A C 1.611 179.251 177.584 0.092 0.000 1.164 150 A CA 1.728 53.829 52.037 0.108 0.000 0.643 150 A CB -0.618 18.437 19.000 0.091 0.000 0.806 150 A HN 0.496 nan 8.150 nan 0.000 0.451 151 D N -1.362 119.134 120.400 0.160 0.000 2.349 151 D HA 0.250 4.890 4.640 -0.000 0.000 0.224 151 D C 1.392 177.700 176.300 0.012 0.000 1.029 151 D CA 1.088 55.194 54.000 0.176 0.000 0.879 151 D CB -0.001 41.029 40.800 0.385 0.000 0.906 151 D HN 0.596 nan 8.370 nan 0.000 0.528 152 G N 0.066 108.772 108.800 -0.155 0.000 2.141 152 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.242 152 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.242 152 G C 0.028 174.322 174.900 -1.009 0.000 0.982 152 G CA -0.205 44.577 45.100 -0.531 0.000 0.662 152 G HN 0.265 nan 8.290 nan 0.000 0.527 153 F N -0.190 119.730 119.950 -0.050 0.000 2.576 153 F HA 0.711 5.238 4.527 -0.000 0.000 0.313 153 F C 0.966 176.757 175.800 -0.015 0.000 1.078 153 F CA 0.057 58.005 58.000 -0.088 0.000 0.921 153 F CB 2.162 41.041 39.000 -0.201 0.000 1.232 153 F HN 0.227 nan 8.300 nan 0.000 0.459 154 T N -2.068 112.476 114.554 -0.017 0.000 3.212 154 T HA 0.234 4.583 4.350 -0.000 0.000 0.157 154 T C 1.348 176.113 174.700 0.109 0.000 0.908 154 T CA -0.179 61.722 62.100 -0.331 0.000 0.954 154 T CB -0.426 67.744 68.868 -1.165 0.000 1.709 154 T HN 0.419 nan 8.240 nan 0.000 0.335 155 L N 2.546 123.771 121.223 0.003 0.000 2.353 155 L HA 0.062 4.402 4.340 -0.000 0.000 0.220 155 L C 2.292 179.221 176.870 0.099 0.000 1.133 155 L CA 1.520 56.424 54.840 0.107 0.000 0.798 155 L CB -0.440 41.630 42.059 0.019 0.000 0.922 155 L HN 0.667 nan 8.230 nan 0.000 0.445 156 S N -3.405 112.347 115.700 0.085 0.000 2.593 156 S HA 0.050 4.520 4.470 -0.000 0.000 0.236 156 S C 0.694 175.330 174.600 0.060 0.000 0.991 156 S CA -0.586 57.646 58.200 0.053 0.000 0.963 156 S CB -0.299 62.901 63.200 -0.000 0.000 0.865 156 S HN 0.285 nan 8.310 nan 0.000 0.488 157 H N 1.651 120.788 119.070 0.111 0.000 2.972 157 H HA 0.273 4.829 4.556 -0.000 0.000 0.343 157 H C 1.393 176.724 175.328 0.006 0.000 1.054 157 H CA 1.025 57.130 56.048 0.094 0.000 1.412 157 H CB 1.241 31.131 29.762 0.214 0.000 1.385 157 H HN 0.349 nan 8.280 nan 0.000 0.600 158 A N 4.145 126.943 122.820 -0.037 0.000 2.016 158 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 158 A C 1.054 178.783 177.584 0.240 0.000 1.162 158 A CA 0.486 52.551 52.037 0.048 0.000 0.662 158 A CB -0.008 18.929 19.000 -0.106 0.000 0.812 158 A HN 0.798 nan 8.150 nan 0.000 0.450 159 D N 0.378 121.121 120.400 0.571 0.000 2.358 159 D HA 0.022 4.662 4.640 -0.000 0.000 0.258 159 D C -0.243 176.129 176.300 0.120 0.000 1.223 159 D CA -0.094 54.035 54.000 0.216 0.000 0.886 159 D CB 0.582 41.398 40.800 0.025 0.000 1.120 159 D HN 0.127 nan 8.370 nan 0.000 0.482 160 D N 2.019 122.468 120.400 0.082 0.000 2.149 160 D HA -0.216 4.424 4.640 -0.000 0.000 0.194 160 D C 2.052 178.385 176.300 0.055 0.000 1.001 160 D CA 1.790 55.831 54.000 0.068 0.000 0.849 160 D CB -0.114 40.716 40.800 0.049 0.000 0.939 160 D HN 0.545 nan 8.370 nan 0.000 0.449 161 S N 0.055 115.769 115.700 0.024 0.000 2.355 161 S HA -0.100 4.370 4.470 -0.000 0.000 0.222 161 S C 2.279 176.881 174.600 0.004 0.000 1.031 161 S CA 0.561 58.766 58.200 0.008 0.000 0.993 161 S CB -0.667 62.522 63.200 -0.018 0.000 0.859 161 S HN 0.263 nan 8.310 nan 0.000 0.453 162 I N 1.733 122.269 120.570 -0.056 0.000 2.127 162 I HA -0.194 3.975 4.170 -0.000 0.000 0.241 162 I C 3.118 179.328 176.117 0.156 0.000 1.075 162 I CA 1.722 62.986 61.300 -0.059 0.000 1.334 162 I CB -0.403 37.423 38.000 -0.290 0.000 1.040 162 I HN 0.308 nan 8.210 nan 0.000 0.405 163 R N 0.525 121.138 120.500 0.188 0.000 2.103 163 R HA -0.298 4.041 4.340 -0.000 0.000 0.242 163 R C 2.345 178.766 176.300 0.202 0.000 1.142 163 R CA 2.069 58.332 56.100 0.272 0.000 0.960 163 R CB -0.185 30.243 30.300 0.213 0.000 0.858 163 R HN 0.279 nan 8.270 nan 0.000 0.439 164 Q N -0.345 119.528 119.800 0.123 0.000 2.119 164 Q HA -0.164 4.175 4.340 -0.000 0.000 0.201 164 Q C 1.695 177.723 176.000 0.047 0.000 0.972 164 Q CA 1.760 57.611 55.803 0.081 0.000 0.847 164 Q CB -0.407 28.365 28.738 0.057 0.000 0.903 164 Q HN 0.429 nan 8.270 nan 0.000 0.433 165 F N -0.911 118.951 119.950 -0.146 0.000 2.095 165 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 165 F C 1.258 176.855 175.800 -0.338 0.000 1.104 165 F CA 1.910 59.719 58.000 -0.319 0.000 1.232 165 F CB -0.454 38.233 39.000 -0.522 0.000 0.987 165 F HN 0.182 nan 8.300 nan 0.000 0.475 166 W N 0.472 121.770 121.300 -0.003 0.000 2.402 166 W HA -0.083 4.577 4.660 -0.000 0.000 0.286 166 W C 2.359 178.836 176.519 -0.071 0.000 1.221 166 W CA 0.907 58.212 57.345 -0.066 0.000 1.257 166 W CB -0.445 29.049 29.460 0.058 0.000 1.120 166 W HN 0.024 nan 8.180 nan 0.000 0.551 167 I N 0.136 120.787 120.570 0.136 0.000 2.252 167 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 167 I C 1.894 178.006 176.117 -0.009 0.000 1.102 167 I CA 1.294 62.638 61.300 0.073 0.000 1.385 167 I CB -0.478 37.564 38.000 0.070 0.000 1.064 167 I HN -0.101 nan 8.210 nan 0.000 0.414 168 D N -0.268 120.085 120.400 -0.079 0.000 2.117 168 D HA -0.237 4.403 4.640 -0.000 0.000 0.197 168 D C 1.989 178.212 176.300 -0.128 0.000 0.987 168 D CA 1.261 55.194 54.000 -0.112 0.000 0.829 168 D CB -0.551 40.165 40.800 -0.140 0.000 0.961 168 D HN 0.454 nan 8.370 nan 0.000 0.460 169 H N 0.138 119.000 119.070 -0.347 0.000 2.387 169 H HA -0.118 4.438 4.556 -0.000 0.000 0.299 169 H C 1.700 176.984 175.328 -0.074 0.000 1.099 169 H CA 1.307 57.188 56.048 -0.277 0.000 1.315 169 H CB 0.109 29.628 29.762 -0.405 0.000 1.380 169 H HN 0.149 nan 8.280 nan 0.000 0.513 170 C N 0.719 119.909 119.300 -0.183 0.000 2.457 170 C HA 0.002 4.462 4.460 -0.000 0.000 0.278 170 C C 2.729 177.639 174.990 -0.133 0.000 1.309 170 C CA 0.518 59.417 59.018 -0.197 0.000 1.735 170 C CB -0.556 27.152 27.740 -0.053 0.000 1.992 170 C HN 0.545 nan 8.230 nan 0.000 0.493 171 K N 1.439 121.786 120.400 -0.087 0.000 2.057 171 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 171 K C 2.259 178.808 176.600 -0.085 0.000 1.050 171 K CA 1.518 57.765 56.287 -0.066 0.000 0.935 171 K CB -0.290 32.184 32.500 -0.044 0.000 0.715 171 K HN 0.452 nan 8.250 nan 0.000 0.439 172 A N 0.999 123.768 122.820 -0.085 0.000 1.933 172 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 172 A C 2.103 179.649 177.584 -0.063 0.000 1.175 172 A CA 1.928 53.933 52.037 -0.054 0.000 0.628 172 A CB -0.498 18.503 19.000 0.002 0.000 0.814 172 A HN 0.223 nan 8.150 nan 0.000 0.444 173 S N -0.018 115.623 115.700 -0.099 0.000 2.402 173 S HA -0.151 4.319 4.470 -0.000 0.000 0.229 173 S C 1.899 176.491 174.600 -0.013 0.000 1.021 173 S CA 1.245 59.462 58.200 0.027 0.000 0.974 173 S CB -0.316 62.867 63.200 -0.029 0.000 0.800 173 S HN 0.657 nan 8.310 nan 0.000 0.484 174 R N 1.332 121.775 120.500 -0.095 0.000 2.120 174 R HA 0.015 4.354 4.340 -0.000 0.000 0.234 174 R C 2.422 178.511 176.300 -0.352 0.000 1.123 174 R CA 1.116 57.075 56.100 -0.235 0.000 0.975 174 R CB -0.256 29.857 30.300 -0.312 0.000 0.866 174 R HN 0.377 nan 8.270 nan 0.000 0.446 175 R N 0.215 120.574 120.500 -0.234 0.000 2.090 175 R HA -0.031 4.309 4.340 -0.000 0.000 0.228 175 R C 2.252 178.413 176.300 -0.231 0.000 1.110 175 R CA 0.978 56.957 56.100 -0.202 0.000 0.973 175 R CB -0.302 29.919 30.300 -0.133 0.000 0.869 175 R HN 0.024 nan 8.270 nan 0.000 0.440 176 V N 0.350 120.059 119.914 -0.342 0.000 2.343 176 V HA -0.260 3.859 4.120 -0.000 0.000 0.247 176 V C 2.368 177.890 176.094 -0.954 0.000 1.051 176 V CA 2.058 63.972 62.300 -0.643 0.000 1.036 176 V CB -0.422 30.731 31.823 -1.117 0.000 0.654 176 V HN 0.349 nan 8.190 nan 0.000 0.451 177 S N -0.085 115.174 115.700 -0.734 0.000 2.359 177 S HA -0.216 4.254 4.470 -0.000 0.000 0.224 177 S C 2.150 176.676 174.600 -0.123 0.000 1.035 177 S CA 1.747 59.694 58.200 -0.422 0.000 1.018 177 S CB -0.357 62.964 63.200 0.201 0.000 0.876 177 S HN 0.625 nan 8.310 nan 0.000 0.448 178 A N 0.203 122.970 122.820 -0.089 0.000 1.933 178 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 178 A C 2.001 179.567 177.584 -0.029 0.000 1.175 178 A CA 1.729 53.781 52.037 0.025 0.000 0.628 178 A CB -1.168 17.824 19.000 -0.013 0.000 0.814 178 A HN 0.784 nan 8.150 nan 0.000 0.444 179 Y N 0.147 120.332 120.300 -0.192 0.000 2.128 179 Y HA -0.261 4.289 4.550 -0.000 0.000 0.284 179 Y C 1.877 177.785 175.900 0.014 0.000 1.154 179 Y CA 1.631 59.651 58.100 -0.133 0.000 1.149 179 Y CB -0.716 37.651 38.460 -0.155 0.000 0.976 179 Y HN 0.265 nan 8.280 nan 0.000 0.505 180 F N 0.524 120.238 119.950 -0.393 0.000 2.065 180 F HA -0.106 4.421 4.527 -0.000 0.000 0.298 180 F C 2.826 178.487 175.800 -0.231 0.000 1.112 180 F CA 1.185 58.965 58.000 -0.367 0.000 1.212 180 F CB -1.578 37.307 39.000 -0.192 0.000 0.975 180 F HN 0.167 nan 8.300 nan 0.000 0.476 181 G N -0.538 108.317 108.800 0.092 0.000 2.446 181 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 181 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 181 G C 1.591 176.435 174.900 -0.094 0.000 1.168 181 G CA 1.005 46.158 45.100 0.088 0.000 0.771 181 G HN 0.373 nan 8.290 nan 0.000 0.551 182 E N 0.152 120.090 120.200 -0.437 0.000 2.038 182 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 182 E C 2.815 179.292 176.600 -0.204 0.000 1.000 182 E CA 1.406 57.462 56.400 -0.573 0.000 0.803 182 E CB -0.089 29.341 29.700 -0.450 0.000 0.750 182 E HN 0.387 nan 8.360 nan 0.000 0.448 183 Q N 0.070 119.752 119.800 -0.198 0.000 2.084 183 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 183 Q C 2.330 178.278 176.000 -0.086 0.000 0.978 183 Q CA 1.082 56.800 55.803 -0.142 0.000 0.844 183 Q CB -0.076 28.513 28.738 -0.248 0.000 0.898 183 Q HN 0.380 nan 8.270 nan 0.000 0.426 184 L N -0.899 120.277 121.223 -0.078 0.000 2.477 184 L HA 0.170 4.510 4.340 -0.000 0.000 0.220 184 L C 1.110 177.977 176.870 -0.005 0.000 1.106 184 L CA 0.458 55.271 54.840 -0.045 0.000 0.851 184 L CB -0.124 41.903 42.059 -0.053 0.000 0.994 184 L HN 0.360 nan 8.230 nan 0.000 0.462 185 G N 0.789 109.602 108.800 0.022 0.000 2.160 185 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.244 185 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.244 185 G C 0.236 175.179 174.900 0.073 0.000 1.022 185 G CA 0.514 45.651 45.100 0.061 0.000 0.741 185 G HN 0.318 nan 8.290 nan 0.000 0.508 186 T N 0.485 115.088 114.554 0.083 0.000 3.172 186 T HA 0.591 4.940 4.350 -0.000 0.000 0.320 186 T C -2.964 171.803 174.700 0.112 0.000 1.085 186 T CA -0.732 61.421 62.100 0.087 0.000 1.052 186 T CB 2.349 71.254 68.868 0.061 0.000 1.107 186 T HN 0.028 nan 8.240 nan 0.000 0.458 187 P HA 0.223 nan 4.420 nan 0.000 0.268 187 P C -0.574 176.782 177.300 0.093 0.000 1.205 187 P CA -0.133 63.042 63.100 0.124 0.000 0.771 187 P CB 0.624 32.373 31.700 0.081 0.000 0.858 188 S N 2.361 118.132 115.700 0.120 0.000 2.499 188 S HA 0.296 4.766 4.470 -0.000 0.000 0.279 188 S C -0.292 174.302 174.600 -0.010 0.000 1.219 188 S CA -0.670 57.611 58.200 0.135 0.000 1.062 188 S CB 0.139 63.525 63.200 0.310 0.000 0.978 188 S HN 0.156 nan 8.310 nan 0.000 0.489 189 V N 6.970 126.849 119.914 -0.058 0.000 2.385 189 V HA 0.322 4.442 4.120 -0.000 0.000 0.269 189 V C 0.306 176.354 176.094 -0.077 0.000 1.043 189 V CA -0.334 61.851 62.300 -0.192 0.000 0.906 189 V CB 0.901 32.546 31.823 -0.297 0.000 0.995 189 V HN 0.972 nan 8.190 nan 0.000 0.467 190 M N 6.481 125.999 119.600 -0.138 0.000 2.066 190 M HA 0.371 4.850 4.480 -0.000 0.000 0.340 190 M C -0.236 176.034 176.300 -0.050 0.000 1.053 190 M CA -0.121 55.173 55.300 -0.009 0.000 0.983 190 M CB 0.379 33.074 32.600 0.158 0.000 1.520 190 M HN 0.732 nan 8.290 nan 0.000 0.428 191 N N 5.700 124.369 118.700 -0.052 0.000 2.479 191 N HA 0.395 5.135 4.740 -0.000 0.000 0.285 191 N C -1.505 173.978 175.510 -0.045 0.000 1.075 191 N CA -0.323 52.698 53.050 -0.049 0.000 0.967 191 N CB 1.061 39.549 38.487 0.002 0.000 1.137 191 N HN 0.726 nan 8.380 nan 0.000 0.472 192 I N 3.314 123.857 120.570 -0.045 0.000 2.355 192 I HA 0.295 4.465 4.170 -0.000 0.000 0.288 192 I C -1.049 175.075 176.117 0.010 0.000 0.999 192 I CA -0.711 60.570 61.300 -0.032 0.000 1.163 192 I CB 0.990 38.950 38.000 -0.067 0.000 1.316 192 I HN 0.519 nan 8.210 nan 0.000 0.454 193 W N 9.526 130.791 121.300 -0.058 0.000 2.957 193 W HA 0.724 5.384 4.660 -0.001 0.000 0.336 193 W C -1.534 174.979 176.519 -0.011 0.000 1.087 193 W CA -0.773 56.553 57.345 -0.030 0.000 1.235 193 W CB 1.291 30.755 29.460 0.007 0.000 1.399 193 W HN 0.329 nan 8.180 nan 0.000 0.480 194 I N 4.900 124.705 120.570 -1.275 0.000 2.769 194 I HA 0.631 4.801 4.170 -0.000 0.000 0.298 194 I C -2.141 172.953 176.117 -1.706 0.000 1.128 194 I CA -2.742 57.816 61.300 -1.235 0.000 1.031 194 I CB 3.055 40.678 38.000 -0.629 0.000 1.235 194 I HN 0.256 nan 8.210 nan 0.000 0.423 195 P HA 0.101 nan 4.420 nan 0.000 0.251 195 P C -0.429 176.536 177.300 -0.560 0.000 1.223 195 P CA 0.182 62.784 63.100 -0.830 0.000 0.796 195 P CB -0.156 31.268 31.700 -0.460 0.000 1.068 196 D N 0.993 121.042 120.400 -0.586 0.000 2.648 196 D HA 0.294 4.934 4.640 -0.000 0.000 0.229 196 D C 1.321 177.305 176.300 -0.526 0.000 1.119 196 D CA 1.511 55.184 54.000 -0.545 0.000 0.850 196 D CB -0.046 40.564 40.800 -0.316 0.000 1.169 196 D HN 0.230 nan 8.370 nan 0.000 0.489 197 G N 0.467 108.901 108.800 -0.611 0.000 2.321 197 G HA2 0.424 4.384 3.960 -0.000 0.000 0.296 197 G HA3 0.424 4.384 3.960 -0.000 0.000 0.296 197 G C -1.547 173.233 174.900 -0.200 0.000 1.287 197 G CA -0.906 43.933 45.100 -0.434 0.000 0.846 197 G HN 0.258 nan 8.290 nan 0.000 0.508 198 M N 0.522 120.162 119.600 0.065 0.000 2.464 198 M HA 0.375 4.855 4.480 -0.000 0.000 0.308 198 M C 1.042 177.399 176.300 0.094 0.000 1.127 198 M CA -0.769 54.626 55.300 0.158 0.000 0.913 198 M CB 2.285 35.070 32.600 0.308 0.000 1.689 198 M HN 0.860 nan 8.290 nan 0.000 0.445 199 K N 1.185 121.621 120.400 0.059 0.000 2.001 199 K HA -0.084 4.236 4.320 -0.000 0.000 0.208 199 K C 0.347 176.978 176.600 0.051 0.000 1.048 199 K CA 1.518 57.831 56.287 0.043 0.000 0.932 199 K CB 0.350 32.864 32.500 0.023 0.000 0.715 199 K HN 0.594 nan 8.250 nan 0.000 0.437 200 D N -0.538 119.894 120.400 0.054 0.000 2.592 200 D HA 0.193 4.833 4.640 -0.000 0.000 0.259 200 D C -0.316 176.008 176.300 0.039 0.000 1.144 200 D CA -0.891 53.132 54.000 0.038 0.000 1.080 200 D CB 0.853 41.667 40.800 0.023 0.000 1.225 200 D HN -0.041 nan 8.370 nan 0.000 0.619 201 I N 1.367 121.947 120.570 0.016 0.000 2.919 201 I HA -0.069 4.101 4.170 -0.000 0.000 0.299 201 I C 0.669 176.778 176.117 -0.013 0.000 1.221 201 I CA 0.929 62.229 61.300 -0.000 0.000 1.424 201 I CB -1.297 36.697 38.000 -0.009 0.000 1.358 201 I HN 0.107 nan 8.210 nan 0.000 0.551 202 T N 6.620 121.146 114.554 -0.046 0.000 2.829 202 T HA 0.384 4.734 4.350 -0.000 0.000 0.282 202 T C 1.444 176.067 174.700 -0.129 0.000 0.990 202 T CA -0.590 61.449 62.100 -0.101 0.000 1.028 202 T CB 2.453 71.185 68.868 -0.226 0.000 0.951 202 T HN 0.355 nan 8.240 nan 0.000 0.460 203 V N 1.181 121.029 119.914 -0.110 0.000 2.379 203 V HA 0.046 4.166 4.120 -0.000 0.000 0.243 203 V C 0.814 176.828 176.094 -0.132 0.000 1.035 203 V CA 1.179 63.419 62.300 -0.099 0.000 1.035 203 V CB -0.057 31.723 31.823 -0.071 0.000 0.673 203 V HN 0.809 nan 8.190 nan 0.000 0.457 204 D N -0.730 119.572 120.400 -0.163 0.000 2.454 204 D HA 0.298 4.938 4.640 -0.000 0.000 0.247 204 D C 0.851 176.989 176.300 -0.270 0.000 1.129 204 D CA -0.358 53.538 54.000 -0.172 0.000 0.877 204 D CB 1.084 41.815 40.800 -0.115 0.000 1.082 204 D HN 0.050 nan 8.370 nan 0.000 0.537 205 R N 2.153 122.446 120.500 -0.346 0.000 2.276 205 R HA 0.094 4.434 4.340 -0.000 0.000 0.196 205 R C 1.670 177.908 176.300 -0.104 0.000 0.961 205 R CA 0.105 55.905 56.100 -0.500 0.000 1.024 205 R CB 0.332 30.312 30.300 -0.533 0.000 0.940 205 R HN 0.317 nan 8.270 nan 0.000 0.480 206 L N 0.443 121.626 121.223 -0.066 0.000 2.068 206 L HA 0.098 4.438 4.340 -0.000 0.000 0.204 206 L C 2.179 179.061 176.870 0.020 0.000 1.076 206 L CA 1.710 56.553 54.840 0.004 0.000 0.753 206 L CB -0.618 41.438 42.059 -0.004 0.000 0.910 206 L HN 0.092 nan 8.230 nan 0.000 0.439 207 A N 0.390 123.202 122.820 -0.014 0.000 1.892 207 A HA -0.137 4.182 4.320 -0.000 0.000 0.218 207 A C 0.019 177.594 177.584 -0.016 0.000 1.188 207 A CA 2.168 54.195 52.037 -0.017 0.000 0.631 207 A CB -2.200 16.773 19.000 -0.046 0.000 0.822 207 A HN 0.462 nan 8.150 nan 0.000 0.447 208 P HA -0.131 nan 4.420 nan 0.000 0.217 208 P C 1.369 178.644 177.300 -0.041 0.000 1.150 208 P CA 1.289 64.372 63.100 -0.028 0.000 0.832 208 P CB -0.141 31.590 31.700 0.053 0.000 0.787 209 R N -0.523 119.971 120.500 -0.010 0.000 2.092 209 R HA -0.075 4.264 4.340 -0.000 0.000 0.231 209 R C 2.483 178.858 176.300 0.124 0.000 1.119 209 R CA 1.146 57.207 56.100 -0.065 0.000 0.970 209 R CB -0.567 29.761 30.300 0.048 0.000 0.864 209 R HN 0.329 nan 8.270 nan 0.000 0.440 210 Q N 0.220 120.084 119.800 0.107 0.000 2.050 210 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 210 Q C 2.161 178.224 176.000 0.105 0.000 0.980 210 Q CA 1.459 57.333 55.803 0.119 0.000 0.840 210 Q CB -0.053 28.728 28.738 0.072 0.000 0.898 210 Q HN 0.291 nan 8.270 nan 0.000 0.424 211 R N 0.129 120.663 120.500 0.057 0.000 2.081 211 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 211 R C 2.342 178.680 176.300 0.063 0.000 1.131 211 R CA 1.053 57.185 56.100 0.053 0.000 0.960 211 R CB -0.430 29.886 30.300 0.026 0.000 0.856 211 R HN 0.182 nan 8.270 nan 0.000 0.436 212 L N 1.109 122.343 121.223 0.019 0.000 2.017 212 L HA -0.163 4.176 4.340 -0.000 0.000 0.208 212 L C 2.091 179.049 176.870 0.148 0.000 1.073 212 L CA 1.469 56.307 54.840 -0.004 0.000 0.745 212 L CB -0.673 41.227 42.059 -0.265 0.000 0.894 212 L HN 0.113 nan 8.230 nan 0.000 0.432 213 L N 0.279 121.690 121.223 0.314 0.000 1.971 213 L HA -0.220 4.120 4.340 -0.000 0.000 0.215 213 L C 2.582 179.601 176.870 0.249 0.000 1.072 213 L CA 2.416 57.477 54.840 0.367 0.000 0.758 213 L CB -1.583 40.680 42.059 0.340 0.000 0.889 213 L HN 0.349 nan 8.230 nan 0.000 0.433 214 A N -0.570 122.358 122.820 0.180 0.000 1.892 214 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 214 A C 2.460 180.121 177.584 0.128 0.000 1.188 214 A CA 2.593 54.713 52.037 0.139 0.000 0.631 214 A CB -1.350 17.712 19.000 0.103 0.000 0.822 214 A HN 0.668 nan 8.150 nan 0.000 0.447 215 A N -0.491 122.396 122.820 0.112 0.000 1.908 215 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 215 A C 2.177 179.817 177.584 0.094 0.000 1.181 215 A CA 1.602 53.697 52.037 0.097 0.000 0.627 215 A CB -0.600 18.455 19.000 0.091 0.000 0.818 215 A HN 0.499 nan 8.150 nan 0.000 0.445 216 L N -0.738 120.536 121.223 0.085 0.000 2.093 216 L HA -0.153 4.186 4.340 -0.000 0.000 0.208 216 L C 2.056 179.044 176.870 0.197 0.000 1.085 216 L CA 1.159 56.036 54.840 0.060 0.000 0.755 216 L CB -0.628 41.282 42.059 -0.249 0.000 0.904 216 L HN 0.267 nan 8.230 nan 0.000 0.435 217 D N 0.077 120.628 120.400 0.253 0.000 2.104 217 D HA -0.234 4.406 4.640 -0.000 0.000 0.194 217 D C 2.047 178.433 176.300 0.143 0.000 0.994 217 D CA 1.303 55.443 54.000 0.234 0.000 0.830 217 D CB 0.031 40.950 40.800 0.199 0.000 0.959 217 D HN 0.346 nan 8.370 nan 0.000 0.452 218 E N 0.205 120.474 120.200 0.115 0.000 2.047 218 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 218 E C 2.143 178.787 176.600 0.073 0.000 0.987 218 E CA 0.593 57.042 56.400 0.082 0.000 0.799 218 E CB 0.106 29.849 29.700 0.072 0.000 0.752 218 E HN -0.042 nan 8.360 nan 0.000 0.449 219 V N 1.979 121.941 119.914 0.079 0.000 2.324 219 V HA -0.269 3.851 4.120 -0.000 0.000 0.250 219 V C 2.305 178.440 176.094 0.069 0.000 1.060 219 V CA 2.080 64.417 62.300 0.061 0.000 1.042 219 V CB -0.570 31.288 31.823 0.059 0.000 0.650 219 V HN 0.499 nan 8.190 nan 0.000 0.450 220 I N -0.856 119.779 120.570 0.108 0.000 3.793 220 I HA 0.067 4.237 4.170 -0.000 0.000 0.315 220 I C 2.250 178.415 176.117 0.081 0.000 1.275 220 I CA 0.825 62.191 61.300 0.110 0.000 1.214 220 I CB -0.406 37.691 38.000 0.161 0.000 1.018 220 I HN 0.289 nan 8.210 nan 0.000 0.439 221 S N 0.894 116.634 115.700 0.068 0.000 2.407 221 S HA -0.258 4.212 4.470 -0.000 0.000 0.235 221 S C 1.025 175.645 174.600 0.034 0.000 1.036 221 S CA 0.936 59.166 58.200 0.050 0.000 1.013 221 S CB -0.642 62.585 63.200 0.045 0.000 0.820 221 S HN 0.776 nan 8.310 nan 0.000 0.476 222 E N 1.505 121.718 120.200 0.021 0.000 2.257 222 E HA 0.234 4.584 4.350 -0.000 0.000 0.278 222 E C -0.996 175.611 176.600 0.010 0.000 1.049 222 E CA -0.529 55.875 56.400 0.006 0.000 0.876 222 E CB 0.433 30.123 29.700 -0.015 0.000 1.035 222 E HN 0.051 nan 8.360 nan 0.000 0.419 223 K N 4.354 124.763 120.400 0.015 0.000 2.312 223 K HA 0.305 4.625 4.320 -0.000 0.000 0.287 223 K C -0.719 175.895 176.600 0.022 0.000 1.062 223 K CA -0.028 56.274 56.287 0.026 0.000 0.934 223 K CB 0.512 33.028 32.500 0.027 0.000 1.027 223 K HN 0.418 nan 8.250 nan 0.000 0.478 224 L N 1.756 123.002 121.223 0.039 0.000 2.286 224 L HA 0.473 4.813 4.340 -0.000 0.000 0.265 224 L C 0.233 177.150 176.870 0.078 0.000 1.012 224 L CA -1.405 53.461 54.840 0.044 0.000 0.818 224 L CB 1.065 43.108 42.059 -0.027 0.000 1.337 224 L HN 0.495 nan 8.230 nan 0.000 0.438 225 N N 1.909 120.659 118.700 0.083 0.000 2.452 225 N HA 0.106 4.845 4.740 -0.000 0.000 0.266 225 N C -1.844 173.657 175.510 -0.015 0.000 1.175 225 N CA -1.624 51.416 53.050 -0.018 0.000 0.945 225 N CB 1.273 39.660 38.487 -0.166 0.000 1.063 225 N HN 0.283 nan 8.380 nan 0.000 0.472 226 P HA -0.087 nan 4.420 nan 0.000 0.220 226 P C 0.527 177.808 177.300 -0.033 0.000 1.148 226 P CA 0.926 64.025 63.100 -0.003 0.000 0.803 226 P CB 0.131 31.827 31.700 -0.006 0.000 0.782 227 A N -1.467 121.262 122.820 -0.151 0.000 2.167 227 A HA -0.101 4.219 4.320 -0.000 0.000 0.214 227 A C 1.577 179.142 177.584 -0.031 0.000 1.151 227 A CA 1.007 52.957 52.037 -0.145 0.000 0.735 227 A CB -1.259 17.588 19.000 -0.256 0.000 0.802 227 A HN 0.324 nan 8.150 nan 0.000 0.467 228 H N -3.810 115.308 119.070 0.080 0.000 3.058 228 H HA 0.220 4.776 4.556 0.000 0.000 0.258 228 H C -0.053 175.356 175.328 0.136 0.000 1.015 228 H CA 0.179 56.283 56.048 0.094 0.000 1.210 228 H CB 0.524 30.345 29.762 0.097 0.000 1.481 228 H HN 0.641 nan 8.280 nan 0.000 0.492 229 H N -0.104 119.046 119.070 0.134 0.000 2.974 229 H HA 0.492 5.047 4.556 -0.000 0.000 0.366 229 H C -1.774 173.570 175.328 0.027 0.000 1.155 229 H CA -0.679 55.413 56.048 0.072 0.000 1.186 229 H CB 1.367 31.170 29.762 0.068 0.000 1.799 229 H HN -0.009 nan 8.280 nan 0.000 0.541 230 I N 3.511 123.631 120.570 -0.750 0.000 2.619 230 I HA 0.232 4.402 4.170 -0.000 0.000 0.292 230 I C -0.979 174.762 176.117 -0.627 0.000 1.100 230 I CA -0.860 60.123 61.300 -0.528 0.000 1.043 230 I CB 2.120 39.923 38.000 -0.328 0.000 1.239 230 I HN 0.556 nan 8.210 nan 0.000 0.420 231 D N 5.094 125.313 120.400 -0.301 0.000 2.175 231 D HA 0.686 5.326 4.640 -0.000 0.000 0.248 231 D C -0.560 175.694 176.300 -0.077 0.000 1.047 231 D CA -0.097 53.832 54.000 -0.117 0.000 0.883 231 D CB 2.374 43.215 40.800 0.068 0.000 1.180 231 D HN 0.591 nan 8.370 nan 0.000 0.438 232 A N 1.091 123.869 122.820 -0.071 0.000 2.449 232 A HA 0.626 4.946 4.320 -0.000 0.000 0.302 232 A C -0.725 176.798 177.584 -0.103 0.000 1.048 232 A CA -0.751 51.242 52.037 -0.075 0.000 0.708 232 A CB 1.582 20.519 19.000 -0.104 0.000 1.274 232 A HN 0.339 nan 8.150 nan 0.000 0.410 233 V N -0.620 119.203 119.914 -0.152 0.000 2.604 233 V HA 0.819 4.939 4.120 -0.000 0.000 0.305 233 V C -0.446 175.356 176.094 -0.486 0.000 1.043 233 V CA -0.572 61.490 62.300 -0.398 0.000 0.888 233 V CB 1.510 33.034 31.823 -0.498 0.000 0.995 233 V HN 0.980 nan 8.190 nan 0.000 0.429 234 E N 3.395 123.284 120.200 -0.518 0.000 2.155 234 E HA 0.545 4.895 4.350 -0.000 0.000 0.264 234 E C 0.050 176.680 176.600 0.050 0.000 0.886 234 E CA -0.408 55.884 56.400 -0.180 0.000 0.752 234 E CB 1.733 31.453 29.700 0.033 0.000 1.133 234 E HN 1.075 nan 8.360 nan 0.000 0.414 235 S N 4.133 120.006 115.700 0.287 0.000 2.624 235 S HA 0.392 4.862 4.470 -0.000 0.000 0.263 235 S C -0.103 174.649 174.600 0.254 0.000 1.287 235 S CA -0.619 57.873 58.200 0.488 0.000 0.990 235 S CB 1.314 64.736 63.200 0.370 0.000 0.950 235 S HN 0.560 nan 8.310 nan 0.000 0.561 236 K N -0.017 120.414 120.400 0.053 0.000 2.557 236 K HA 0.356 4.676 4.320 -0.000 0.000 0.261 236 K C -0.122 176.330 176.600 -0.246 0.000 0.932 236 K CA -0.758 55.394 56.287 -0.226 0.000 0.829 236 K CB 1.561 33.927 32.500 -0.222 0.000 1.358 236 K HN 0.506 nan 8.250 nan 0.000 0.430 237 L N 4.321 125.341 121.223 -0.338 0.000 2.068 237 L HA 0.334 4.674 4.340 -0.000 0.000 0.204 237 L C -0.133 176.772 176.870 0.058 0.000 1.076 237 L CA 1.462 56.209 54.840 -0.156 0.000 0.753 237 L CB 0.008 41.943 42.059 -0.206 0.000 0.910 237 L HN 0.635 nan 8.230 nan 0.000 0.439 238 F N -2.420 117.423 119.950 -0.178 0.000 2.770 238 F HA 0.697 5.223 4.527 -0.000 0.000 0.313 238 F C -0.529 175.238 175.800 -0.055 0.000 1.154 238 F CA -0.540 57.401 58.000 -0.098 0.000 0.923 238 F CB 0.338 39.302 39.000 -0.060 0.000 1.301 238 F HN -0.074 nan 8.300 nan 0.000 0.449 239 G N 1.868 110.599 108.800 -0.114 0.000 2.619 239 G HA2 0.606 4.566 3.960 -0.000 0.000 0.296 239 G HA3 0.606 4.566 3.960 -0.000 0.000 0.296 239 G C -1.459 173.499 174.900 0.096 0.000 1.334 239 G CA -1.170 43.856 45.100 -0.122 0.000 0.934 239 G HN 0.713 nan 8.290 nan 0.000 0.476 240 I N 1.327 121.948 120.570 0.086 0.000 2.668 240 I HA 0.236 4.406 4.170 -0.000 0.000 0.285 240 I C 1.591 177.726 176.117 0.030 0.000 1.168 240 I CA 1.705 63.034 61.300 0.048 0.000 1.424 240 I CB 0.193 38.163 38.000 -0.049 0.000 1.377 240 I HN 1.196 nan 8.210 nan 0.000 0.560 241 G N 5.128 113.942 108.800 0.024 0.000 2.176 241 G HA2 -0.158 3.801 3.960 -0.000 0.000 0.253 241 G HA3 -0.158 3.801 3.960 -0.000 0.000 0.253 241 G C 0.449 175.348 174.900 -0.001 0.000 0.979 241 G CA 0.200 45.303 45.100 0.004 0.000 0.641 241 G HN 1.186 nan 8.290 nan 0.000 0.530 242 A N -0.672 122.165 122.820 0.028 0.000 3.165 242 A HA 0.689 5.009 4.320 -0.000 0.000 0.212 242 A C 0.792 178.432 177.584 0.093 0.000 0.935 242 A CA 0.936 52.979 52.037 0.010 0.000 1.100 242 A CB 0.261 19.220 19.000 -0.067 0.000 1.260 242 A HN 0.173 nan 8.150 nan 0.000 0.532 243 E N 0.028 120.300 120.200 0.119 0.000 2.106 243 E HA -0.085 4.265 4.350 -0.000 0.000 0.192 243 E C 1.896 178.550 176.600 0.089 0.000 0.984 243 E CA 1.875 58.362 56.400 0.144 0.000 0.806 243 E CB 0.022 29.740 29.700 0.029 0.000 0.750 243 E HN 0.503 nan 8.360 nan 0.000 0.458 244 S N -0.753 114.999 115.700 0.088 0.000 2.414 244 S HA 0.001 4.471 4.470 -0.000 0.000 0.227 244 S C -0.147 174.568 174.600 0.191 0.000 1.022 244 S CA 0.528 58.790 58.200 0.103 0.000 0.958 244 S CB 0.043 63.297 63.200 0.089 0.000 0.797 244 S HN 0.338 nan 8.310 nan 0.000 0.493 245 Y N 0.681 120.998 120.300 0.028 0.000 2.480 245 Y HA 0.447 4.997 4.550 -0.000 0.000 0.329 245 Y C -1.732 174.168 175.900 -0.000 0.000 1.127 245 Y CA -0.986 57.125 58.100 0.019 0.000 1.037 245 Y CB 0.948 39.419 38.460 0.019 0.000 1.320 245 Y HN -0.226 nan 8.280 nan 0.000 0.446 246 T N 5.671 119.947 114.554 -0.464 0.000 2.840 246 T HA 0.338 4.688 4.350 -0.000 0.000 0.287 246 T C 0.745 174.940 174.700 -0.842 0.000 0.991 246 T CA -0.513 61.223 62.100 -0.606 0.000 0.964 246 T CB 1.581 70.290 68.868 -0.266 0.000 0.954 246 T HN 0.588 nan 8.240 nan 0.000 0.438 247 V N 2.531 121.869 119.914 -0.961 0.000 2.255 247 V HA -0.038 4.082 4.120 -0.000 0.000 0.247 247 V C 1.896 177.575 176.094 -0.691 0.000 1.051 247 V CA 1.931 63.803 62.300 -0.714 0.000 1.018 247 V CB -0.652 30.871 31.823 -0.499 0.000 0.641 247 V HN 1.003 nan 8.190 nan 0.000 0.445 248 G N 1.341 109.750 108.800 -0.652 0.000 2.977 248 G HA2 0.393 4.352 3.960 -0.000 0.000 0.306 248 G HA3 0.393 4.352 3.960 -0.000 0.000 0.306 248 G C 0.283 174.981 174.900 -0.336 0.000 0.885 248 G CA 0.442 45.066 45.100 -0.793 0.000 1.649 248 G HN 0.562 nan 8.290 nan 0.000 0.514 249 S N 1.507 117.070 115.700 -0.228 0.000 2.655 249 S HA 0.136 4.605 4.470 -0.000 0.000 0.265 249 S C 1.593 176.284 174.600 0.153 0.000 1.240 249 S CA -0.249 57.954 58.200 0.004 0.000 0.986 249 S CB 1.240 64.473 63.200 0.055 0.000 0.985 249 S HN 0.379 nan 8.310 nan 0.000 0.562 250 N N 1.147 119.965 118.700 0.197 0.000 2.043 250 N HA -0.196 4.544 4.740 -0.000 0.000 0.193 250 N C 1.392 177.072 175.510 0.284 0.000 1.037 250 N CA 2.272 55.510 53.050 0.314 0.000 0.851 250 N CB -0.948 37.781 38.487 0.402 0.000 1.027 250 N HN 0.745 nan 8.380 nan 0.000 0.422 251 E N -0.438 119.893 120.200 0.218 0.000 2.118 251 E HA -0.115 4.235 4.350 -0.000 0.000 0.195 251 E C 1.749 178.425 176.600 0.126 0.000 0.992 251 E CA 0.972 57.465 56.400 0.155 0.000 0.804 251 E CB -0.557 29.218 29.700 0.125 0.000 0.741 251 E HN 0.493 nan 8.360 nan 0.000 0.458 252 F N -0.299 119.648 119.950 -0.004 0.000 2.095 252 F HA -0.285 4.242 4.527 0.000 0.000 0.298 252 F C 1.675 177.461 175.800 -0.023 0.000 1.104 252 F CA 1.511 59.448 58.000 -0.104 0.000 1.232 252 F CB -0.107 38.704 39.000 -0.315 0.000 0.987 252 F HN 0.038 nan 8.300 nan 0.000 0.475 253 Y N -0.825 119.641 120.300 0.277 0.000 2.420 253 Y HA -0.093 4.457 4.550 -0.001 0.000 0.292 253 Y C 2.241 178.221 175.900 0.133 0.000 1.119 253 Y CA 1.105 59.334 58.100 0.215 0.000 1.229 253 Y CB -0.846 37.768 38.460 0.258 0.000 1.026 253 Y HN 0.203 nan 8.280 nan 0.000 0.554 254 M N 0.042 119.804 119.600 0.270 0.000 2.086 254 M HA -0.029 4.451 4.480 -0.000 0.000 0.261 254 M C 2.313 178.647 176.300 0.057 0.000 1.067 254 M CA 2.222 57.614 55.300 0.155 0.000 1.116 254 M CB -1.023 31.647 32.600 0.116 0.000 1.348 254 M HN 0.154 nan 8.290 nan 0.000 0.407 255 G N -1.327 107.469 108.800 -0.006 0.000 2.421 255 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.216 255 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.216 255 G C 1.475 176.318 174.900 -0.095 0.000 1.171 255 G CA 1.100 46.149 45.100 -0.086 0.000 0.775 255 G HN 0.564 nan 8.290 nan 0.000 0.543 256 Y N 1.884 122.068 120.300 -0.194 0.000 2.053 256 Y HA -0.132 4.418 4.550 0.000 0.000 0.277 256 Y C 3.060 178.956 175.900 -0.007 0.000 1.159 256 Y CA 1.966 59.989 58.100 -0.129 0.000 1.125 256 Y CB -0.450 37.963 38.460 -0.080 0.000 0.969 256 Y HN 0.254 nan 8.280 nan 0.000 0.492 257 A N -1.153 121.773 122.820 0.177 0.000 1.933 257 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 257 A C 2.232 179.813 177.584 -0.004 0.000 1.175 257 A CA 2.294 54.394 52.037 0.105 0.000 0.628 257 A CB -1.297 17.794 19.000 0.152 0.000 0.814 257 A HN 0.525 nan 8.150 nan 0.000 0.444 258 T N 0.435 114.986 114.554 -0.006 0.000 2.701 258 T HA -0.140 4.209 4.350 -0.000 0.000 0.263 258 T C 2.378 177.041 174.700 -0.062 0.000 1.040 258 T CA 2.123 64.221 62.100 -0.003 0.000 1.147 258 T CB -0.443 68.412 68.868 -0.022 0.000 0.865 258 T HN 0.790 nan 8.240 nan 0.000 0.426 259 S N 1.042 116.658 115.700 -0.140 0.000 2.428 259 S HA 0.022 4.492 4.470 -0.000 0.000 0.230 259 S C 1.834 176.306 174.600 -0.213 0.000 1.014 259 S CA 0.573 58.674 58.200 -0.165 0.000 0.957 259 S CB -0.150 62.940 63.200 -0.184 0.000 0.784 259 S HN 0.193 nan 8.310 nan 0.000 0.499 260 R N 0.812 121.114 120.500 -0.331 0.000 2.393 260 R HA 0.347 4.687 4.340 -0.000 0.000 0.244 260 R C -0.049 176.169 176.300 -0.135 0.000 0.920 260 R CA -0.027 55.897 56.100 -0.293 0.000 1.076 260 R CB -0.320 29.661 30.300 -0.532 0.000 1.119 260 R HN 0.258 nan 8.270 nan 0.000 0.524 261 Q N 0.434 120.181 119.800 -0.089 0.000 2.435 261 Q HA -0.183 4.156 4.340 -0.000 0.000 0.312 261 Q C -0.201 175.800 176.000 0.003 0.000 1.333 261 Q CA 1.605 57.393 55.803 -0.024 0.000 0.883 261 Q CB -2.286 26.445 28.738 -0.011 0.000 1.170 261 Q HN 0.558 nan 8.270 nan 0.000 0.443 262 T N -3.604 110.963 114.554 0.021 0.000 2.884 262 T HA 0.783 5.133 4.350 -0.000 0.000 0.277 262 T C 0.492 175.221 174.700 0.049 0.000 0.976 262 T CA -0.326 61.809 62.100 0.057 0.000 0.956 262 T CB 1.869 70.818 68.868 0.136 0.000 1.113 262 T HN 0.408 nan 8.240 nan 0.000 0.554 263 A N 0.273 123.108 122.820 0.025 0.000 2.332 263 A HA 0.630 4.950 4.320 -0.000 0.000 0.258 263 A C -0.429 177.172 177.584 0.028 0.000 1.087 263 A CA -0.705 51.345 52.037 0.021 0.000 0.802 263 A CB -0.064 18.919 19.000 -0.029 0.000 1.042 263 A HN 0.911 nan 8.150 nan 0.000 0.489 264 L N 1.676 122.922 121.223 0.037 0.000 2.333 264 L HA 0.555 4.895 4.340 -0.000 0.000 0.280 264 L C -0.509 176.361 176.870 0.001 0.000 1.004 264 L CA -0.306 54.556 54.840 0.036 0.000 0.820 264 L CB 1.417 43.528 42.059 0.088 0.000 1.247 264 L HN 0.778 nan 8.230 nan 0.000 0.416 265 C N 6.722 125.991 119.300 -0.052 0.000 2.285 265 C HA 0.604 5.064 4.460 -0.000 0.000 0.335 265 C C -0.298 174.662 174.990 -0.049 0.000 1.267 265 C CA -0.794 58.148 59.018 -0.127 0.000 1.762 265 C CB -0.909 26.676 27.740 -0.258 0.000 2.365 265 C HN 0.776 nan 8.230 nan 0.000 0.527 266 L N 6.588 127.792 121.223 -0.032 0.000 2.298 266 L HA 0.429 4.769 4.340 -0.000 0.000 0.284 266 L C -0.146 176.750 176.870 0.043 0.000 1.013 266 L CA -0.050 54.846 54.840 0.094 0.000 0.824 266 L CB 1.078 43.166 42.059 0.048 0.000 1.221 266 L HN 0.663 nan 8.230 nan 0.000 0.418 267 D N 2.796 123.255 120.400 0.099 0.000 2.329 267 D HA 0.264 4.904 4.640 -0.000 0.000 0.232 267 D C 0.833 177.178 176.300 0.074 0.000 1.088 267 D CA -0.273 53.680 54.000 -0.077 0.000 0.835 267 D CB 2.302 42.718 40.800 -0.640 0.000 1.078 267 D HN 0.623 nan 8.370 nan 0.000 0.495 268 A N 3.056 125.903 122.820 0.045 0.000 2.139 268 A HA -0.089 4.231 4.320 -0.000 0.000 0.221 268 A C 1.733 179.373 177.584 0.094 0.000 1.159 268 A CA 1.703 53.778 52.037 0.065 0.000 0.662 268 A CB -0.220 18.782 19.000 0.003 0.000 0.796 268 A HN 0.612 nan 8.150 nan 0.000 0.463 269 G N -3.128 105.695 108.800 0.037 0.000 3.126 269 G HA2 0.179 4.139 3.960 -0.000 0.000 0.224 269 G HA3 0.179 4.139 3.960 -0.000 0.000 0.224 269 G C 0.784 175.820 174.900 0.227 0.000 1.142 269 G CA 0.091 45.231 45.100 0.066 0.000 0.759 269 G HN 0.770 nan 8.290 nan 0.000 0.550 270 H N -0.924 118.156 119.070 0.017 0.000 2.520 270 H HA 0.338 4.894 4.556 -0.000 0.000 0.284 270 H C -0.213 174.768 175.328 -0.580 0.000 1.037 270 H CA -0.448 55.444 56.048 -0.258 0.000 1.168 270 H CB 0.461 30.013 29.762 -0.351 0.000 1.497 270 H HN 0.236 nan 8.280 nan 0.000 0.547 271 F N -0.909 119.113 119.950 0.120 0.000 2.697 271 F HA 0.266 4.793 4.527 -0.000 0.000 0.386 271 F C 0.774 176.590 175.800 0.027 0.000 1.154 271 F CA -1.028 57.017 58.000 0.074 0.000 1.108 271 F CB 0.529 39.609 39.000 0.134 0.000 1.429 271 F HN 0.041 nan 8.300 nan 0.000 0.509 272 H N -0.279 119.005 119.070 0.357 0.000 2.597 272 H HA 0.243 4.799 4.556 -0.000 0.000 0.370 272 H C -2.274 173.167 175.328 0.189 0.000 1.281 272 H CA -1.128 55.059 56.048 0.231 0.000 1.422 272 H CB -0.325 29.544 29.762 0.178 0.000 1.524 272 H HN 0.085 nan 8.280 nan 0.000 0.607 273 P HA -0.046 nan 4.420 nan 0.000 0.265 273 P C 0.543 177.931 177.300 0.146 0.000 1.193 273 P CA 0.998 64.202 63.100 0.173 0.000 0.765 273 P CB 0.466 32.243 31.700 0.128 0.000 0.823 274 T N -1.230 113.386 114.554 0.103 0.000 7.679 274 T HA -0.305 4.045 4.350 -0.000 0.000 0.300 274 T C 0.208 174.949 174.700 0.069 0.000 2.098 274 T CA 1.224 63.365 62.100 0.068 0.000 3.313 274 T CB -2.349 66.548 68.868 0.048 0.000 1.898 274 T HN 0.579 nan 8.240 nan 0.000 1.144 275 E N 1.207 121.481 120.200 0.123 0.000 2.316 275 E HA 0.497 4.847 4.350 -0.000 0.000 0.275 275 E C 0.223 176.838 176.600 0.025 0.000 1.029 275 E CA -0.256 56.205 56.400 0.102 0.000 0.871 275 E CB 1.178 31.021 29.700 0.238 0.000 1.022 275 E HN 0.805 nan 8.360 nan 0.000 0.418 276 V N 3.563 123.439 119.914 -0.064 0.000 2.588 276 V HA 0.313 4.433 4.120 -0.000 0.000 0.304 276 V C 0.886 176.860 176.094 -0.199 0.000 1.042 276 V CA -0.700 61.540 62.300 -0.101 0.000 0.877 276 V CB 1.292 33.077 31.823 -0.063 0.000 0.996 276 V HN 0.834 nan 8.190 nan 0.000 0.425 277 I N 1.330 121.762 120.570 -0.231 0.000 2.830 277 I HA -0.007 4.163 4.170 -0.000 0.000 0.263 277 I C 2.181 178.213 176.117 -0.141 0.000 1.230 277 I CA 1.472 62.617 61.300 -0.258 0.000 1.480 277 I CB -0.258 37.614 38.000 -0.213 0.000 1.095 277 I HN 0.759 nan 8.210 nan 0.000 0.455 278 S N 1.381 117.020 115.700 -0.103 0.000 2.383 278 S HA -0.308 4.162 4.470 -0.000 0.000 0.229 278 S C 1.634 176.199 174.600 -0.057 0.000 1.030 278 S CA 1.823 59.980 58.200 -0.071 0.000 1.002 278 S CB -0.780 62.381 63.200 -0.065 0.000 0.829 278 S HN 0.694 nan 8.310 nan 0.000 0.467 279 D N 1.500 121.858 120.400 -0.070 0.000 2.183 279 D HA -0.055 4.585 4.640 -0.000 0.000 0.203 279 D C 1.860 178.128 176.300 -0.053 0.000 0.969 279 D CA 1.028 54.996 54.000 -0.053 0.000 0.842 279 D CB -0.175 40.590 40.800 -0.059 0.000 0.957 279 D HN 0.482 nan 8.370 nan 0.000 0.484 280 K N -0.104 120.244 120.400 -0.086 0.000 2.288 280 K HA -0.004 4.316 4.320 -0.000 0.000 0.201 280 K C 2.070 178.651 176.600 -0.032 0.000 1.048 280 K CA 0.502 56.748 56.287 -0.068 0.000 0.956 280 K CB 0.097 32.521 32.500 -0.126 0.000 0.746 280 K HN 0.305 nan 8.250 nan 0.000 0.461 281 I N 1.479 122.031 120.570 -0.031 0.000 2.099 281 I HA -0.352 3.818 4.170 -0.000 0.000 0.239 281 I C 2.526 178.631 176.117 -0.020 0.000 1.066 281 I CA 1.774 63.067 61.300 -0.012 0.000 1.324 281 I CB -0.563 37.438 38.000 0.000 0.000 1.037 281 I HN 0.211 nan 8.210 nan 0.000 0.401 282 S N 1.078 116.753 115.700 -0.042 0.000 2.423 282 S HA -0.085 4.385 4.470 -0.000 0.000 0.231 282 S C 2.120 176.670 174.600 -0.084 0.000 1.014 282 S CA 0.780 58.898 58.200 -0.138 0.000 0.965 282 S CB -0.513 62.538 63.200 -0.247 0.000 0.785 282 S HN 0.432 nan 8.310 nan 0.000 0.495 283 A N 2.272 125.083 122.820 -0.016 0.000 1.854 283 A HA 0.419 4.739 4.320 -0.000 0.000 0.214 283 A C 2.566 180.229 177.584 0.132 0.000 1.192 283 A CA 1.500 53.573 52.037 0.059 0.000 0.611 283 A CB -1.514 17.529 19.000 0.071 0.000 0.832 283 A HN 0.795 nan 8.150 nan 0.000 0.442 284 A N 0.683 123.566 122.820 0.104 0.000 1.902 284 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 284 A C 2.267 179.916 177.584 0.109 0.000 1.181 284 A CA 2.002 54.129 52.037 0.151 0.000 0.623 284 A CB -0.827 18.230 19.000 0.096 0.000 0.818 284 A HN 0.846 nan 8.150 nan 0.000 0.443 285 M N -1.077 118.535 119.600 0.021 0.000 2.623 285 M HA 0.044 4.524 4.480 -0.000 0.000 0.258 285 M C 1.060 177.298 176.300 -0.103 0.000 1.067 285 M CA 1.450 56.735 55.300 -0.025 0.000 1.068 285 M CB -0.558 32.014 32.600 -0.046 0.000 1.409 285 M HN 0.247 nan 8.290 nan 0.000 0.504 286 L N -0.966 120.138 121.223 -0.198 0.000 2.558 286 L HA 0.044 4.383 4.340 -0.000 0.000 0.225 286 L C 0.937 177.366 176.870 -0.735 0.000 1.128 286 L CA 0.527 55.067 54.840 -0.499 0.000 0.868 286 L CB -0.191 41.404 42.059 -0.774 0.000 1.006 286 L HN 0.353 nan 8.230 nan 0.000 0.454 287 Y N -1.791 118.501 120.300 -0.013 0.000 2.441 287 Y HA 0.193 4.743 4.550 -0.000 0.000 0.266 287 Y C 0.581 176.478 175.900 -0.005 0.000 1.093 287 Y CA -0.776 57.318 58.100 -0.009 0.000 1.246 287 Y CB 0.526 38.982 38.460 -0.006 0.000 1.262 287 Y HN -0.119 nan 8.280 nan 0.000 0.518 288 V N -1.163 118.829 119.914 0.130 0.000 2.667 288 V HA 0.496 4.616 4.120 -0.000 0.000 0.308 288 V C -1.961 174.162 176.094 0.048 0.000 1.048 288 V CA -2.120 60.233 62.300 0.090 0.000 0.928 288 V CB 2.220 34.102 31.823 0.099 0.000 1.004 288 V HN -0.161 nan 8.190 nan 0.000 0.444 289 P HA 0.048 nan 4.420 nan 0.000 0.219 289 P C 0.218 177.548 177.300 0.050 0.000 1.150 289 P CA 0.971 64.092 63.100 0.034 0.000 0.814 289 P CB 0.468 32.187 31.700 0.031 0.000 0.787 290 Q N -1.496 118.344 119.800 0.067 0.000 2.501 290 Q HA 0.672 5.012 4.340 -0.000 0.000 0.288 290 Q C -1.398 174.664 176.000 0.103 0.000 1.051 290 Q CA -0.630 55.238 55.803 0.108 0.000 0.788 290 Q CB 2.341 31.185 28.738 0.176 0.000 1.469 290 Q HN -0.088 nan 8.270 nan 0.000 0.416 291 L N 1.656 122.962 121.223 0.138 0.000 2.408 291 L HA 0.587 4.927 4.340 -0.000 0.000 0.268 291 L C -1.501 175.465 176.870 0.161 0.000 0.986 291 L CA -0.997 53.902 54.840 0.098 0.000 0.820 291 L CB 1.891 43.976 42.059 0.043 0.000 1.303 291 L HN 0.453 nan 8.230 nan 0.000 0.411 292 L N 4.496 125.765 121.223 0.077 0.000 2.298 292 L HA 0.558 4.897 4.340 -0.000 0.000 0.284 292 L C -1.201 175.660 176.870 -0.016 0.000 1.013 292 L CA -0.030 54.845 54.840 0.059 0.000 0.824 292 L CB 1.153 43.186 42.059 -0.043 0.000 1.221 292 L HN 0.419 nan 8.230 nan 0.000 0.418 293 L N 5.787 127.033 121.223 0.038 0.000 2.280 293 L HA 0.420 4.760 4.340 -0.000 0.000 0.287 293 L C -0.304 176.649 176.870 0.138 0.000 1.023 293 L CA -0.451 54.407 54.840 0.030 0.000 0.819 293 L CB 0.766 42.834 42.059 0.014 0.000 1.212 293 L HN 0.611 nan 8.230 nan 0.000 0.420 294 H N 2.952 122.001 119.070 -0.035 0.000 2.761 294 H HA 0.245 4.801 4.556 -0.000 0.000 0.284 294 H C -0.451 174.829 175.328 -0.080 0.000 1.105 294 H CA -0.786 55.219 56.048 -0.072 0.000 1.352 294 H CB 1.395 31.078 29.762 -0.131 0.000 1.423 294 H HN 0.285 nan 8.280 nan 0.000 0.464 295 V N 3.692 123.636 119.914 0.049 0.000 2.461 295 V HA 0.173 4.293 4.120 -0.000 0.000 0.275 295 V C 0.275 176.380 176.094 0.018 0.000 1.047 295 V CA 0.221 62.530 62.300 0.016 0.000 0.955 295 V CB 1.279 33.111 31.823 0.014 0.000 0.988 295 V HN 0.715 nan 8.190 nan 0.000 0.471 296 S N 4.510 120.208 115.700 -0.005 0.000 2.565 296 S HA 0.587 5.057 4.470 -0.000 0.000 0.269 296 S C -0.981 173.572 174.600 -0.078 0.000 1.153 296 S CA -0.915 57.275 58.200 -0.018 0.000 0.835 296 S CB 1.642 64.785 63.200 -0.094 0.000 1.122 296 S HN 0.800 nan 8.310 nan 0.000 0.462 297 R N 2.823 123.247 120.500 -0.126 0.000 2.272 297 R HA 0.485 4.824 4.340 -0.000 0.000 0.323 297 R C -2.696 173.495 176.300 -0.182 0.000 1.002 297 R CA -1.973 54.041 56.100 -0.143 0.000 0.900 297 R CB 1.183 31.387 30.300 -0.160 0.000 1.151 297 R HN 0.389 nan 8.270 nan 0.000 0.507 298 P HA 0.064 nan 4.420 nan 0.000 0.282 298 P C -0.655 176.503 177.300 -0.236 0.000 1.262 298 P CA -0.226 62.743 63.100 -0.218 0.000 0.773 298 P CB 1.575 33.216 31.700 -0.099 0.000 0.879 299 V N 6.471 126.174 119.914 -0.351 0.000 2.240 299 V HA 0.276 4.396 4.120 -0.000 0.000 0.265 299 V C 1.295 177.384 176.094 -0.009 0.000 1.073 299 V CA -0.386 61.732 62.300 -0.303 0.000 0.857 299 V CB -0.521 30.896 31.823 -0.677 0.000 1.114 299 V HN 0.665 nan 8.190 nan 0.000 0.469 300 R N 0.498 121.046 120.500 0.081 0.000 3.785 300 R HA -0.145 4.195 4.340 -0.000 0.000 0.476 300 R C 0.099 176.650 176.300 0.419 0.000 0.905 300 R CA 1.820 58.050 56.100 0.217 0.000 1.412 300 R CB -1.259 29.164 30.300 0.205 0.000 2.077 300 R HN 0.837 nan 8.270 nan 0.000 0.504 301 W N -0.819 120.546 121.300 0.108 0.000 2.895 301 W HA 0.366 5.026 4.660 -0.000 0.000 0.377 301 W C -1.403 175.133 176.519 0.028 0.000 1.191 301 W CA -0.698 56.759 57.345 0.187 0.000 1.179 301 W CB 0.049 29.653 29.460 0.240 0.000 1.469 301 W HN -0.129 nan 8.180 nan 0.000 0.577 302 D N 1.425 121.709 120.400 -0.192 0.000 2.671 302 D HA 0.135 4.775 4.640 -0.000 0.000 0.228 302 D C 1.519 177.121 176.300 -1.163 0.000 1.102 302 D CA 0.661 54.360 54.000 -0.502 0.000 1.044 302 D CB 0.114 40.664 40.800 -0.416 0.000 1.113 302 D HN 0.425 nan 8.370 nan 0.000 0.480 303 S N 0.665 115.481 115.700 -1.472 0.000 2.522 303 S HA -0.101 4.369 4.470 -0.000 0.000 0.227 303 S C 0.628 174.756 174.600 -0.787 0.000 0.986 303 S CA -0.038 57.151 58.200 -1.686 0.000 0.929 303 S CB -0.018 62.549 63.200 -1.056 0.000 0.769 303 S HN 0.444 nan 8.310 nan 0.000 0.529 304 D N 1.249 121.272 120.400 -0.628 0.000 2.723 304 D HA -0.136 4.503 4.640 -0.000 0.000 0.236 304 D C -0.582 175.493 176.300 -0.375 0.000 1.138 304 D CA 0.883 54.515 54.000 -0.613 0.000 0.676 304 D CB -1.647 38.375 40.800 -1.296 0.000 1.069 304 D HN 0.578 nan 8.370 nan 0.000 0.430 305 H N -1.225 117.616 119.070 -0.382 0.000 2.546 305 H HA 0.365 4.920 4.556 -0.000 0.000 0.365 305 H C 0.712 175.736 175.328 -0.507 0.000 1.220 305 H CA -0.360 55.485 56.048 -0.339 0.000 1.386 305 H CB 0.771 30.368 29.762 -0.274 0.000 1.510 305 H HN -0.174 nan 8.280 nan 0.000 0.591 306 V N 2.328 121.903 119.914 -0.564 0.000 2.673 306 V HA -0.066 4.054 4.120 -0.000 0.000 0.303 306 V C 0.257 175.949 176.094 -0.669 0.000 1.046 306 V CA -0.204 61.428 62.300 -1.114 0.000 1.126 306 V CB 0.536 31.935 31.823 -0.707 0.000 0.934 306 V HN 0.445 nan 8.190 nan 0.000 0.487 307 V N 7.017 126.470 119.914 -0.769 0.000 2.540 307 V HA 0.067 4.186 4.120 -0.000 0.000 0.297 307 V C 0.349 176.320 176.094 -0.206 0.000 1.024 307 V CA 0.488 62.603 62.300 -0.308 0.000 1.105 307 V CB 0.167 31.928 31.823 -0.104 0.000 0.938 307 V HN 0.541 nan 8.190 nan 0.000 0.482 308 L N 4.860 125.995 121.223 -0.147 0.000 2.332 308 L HA 0.513 4.853 4.340 -0.000 0.000 0.269 308 L C -0.179 176.630 176.870 -0.103 0.000 1.016 308 L CA -1.099 53.676 54.840 -0.109 0.000 0.809 308 L CB 1.441 43.447 42.059 -0.089 0.000 1.280 308 L HN 0.409 nan 8.230 nan 0.000 0.447 309 L N 2.808 123.975 121.223 -0.092 0.000 2.462 309 L HA 0.214 4.553 4.340 -0.000 0.000 0.283 309 L C -0.487 176.324 176.870 -0.098 0.000 1.166 309 L CA 0.275 55.044 54.840 -0.118 0.000 0.964 309 L CB -1.108 40.880 42.059 -0.119 0.000 1.294 309 L HN 0.641 nan 8.230 nan 0.000 0.449 310 D N 0.433 120.771 120.400 -0.103 0.000 2.714 310 D HA 0.266 4.906 4.640 -0.000 0.000 0.278 310 D C 0.365 176.610 176.300 -0.091 0.000 1.102 310 D CA -0.569 53.380 54.000 -0.085 0.000 1.108 310 D CB 0.460 41.215 40.800 -0.076 0.000 1.444 310 D HN 0.129 nan 8.370 nan 0.000 0.568 311 D N -0.511 119.845 120.400 -0.075 0.000 2.092 311 D HA -0.179 4.461 4.640 -0.000 0.000 0.193 311 D C 1.498 177.751 176.300 -0.079 0.000 0.994 311 D CA 1.680 55.636 54.000 -0.074 0.000 0.828 311 D CB 0.001 40.767 40.800 -0.056 0.000 0.963 311 D HN 0.601 nan 8.370 nan 0.000 0.450 312 E N 0.113 120.270 120.200 -0.072 0.000 2.107 312 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 312 E C 1.879 178.430 176.600 -0.081 0.000 0.982 312 E CA 1.212 57.570 56.400 -0.070 0.000 0.809 312 E CB -0.265 29.401 29.700 -0.057 0.000 0.756 312 E HN 0.056 nan 8.360 nan 0.000 0.459 313 T N 0.277 114.777 114.554 -0.089 0.000 2.833 313 T HA -0.158 4.192 4.350 -0.000 0.000 0.269 313 T C 1.604 176.233 174.700 -0.118 0.000 1.054 313 T CA 1.367 63.409 62.100 -0.097 0.000 1.135 313 T CB -0.225 68.581 68.868 -0.104 0.000 0.869 313 T HN 0.136 nan 8.240 nan 0.000 0.466 314 Q N 1.270 120.991 119.800 -0.131 0.000 2.123 314 Q HA 0.157 4.497 4.340 -0.000 0.000 0.199 314 Q C 2.286 178.205 176.000 -0.134 0.000 0.966 314 Q CA 1.575 57.285 55.803 -0.156 0.000 0.845 314 Q CB -0.667 27.969 28.738 -0.170 0.000 0.907 314 Q HN 0.487 nan 8.270 nan 0.000 0.439 315 A N 0.060 122.815 122.820 -0.108 0.000 1.933 315 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 315 A C 2.114 179.643 177.584 -0.092 0.000 1.175 315 A CA 1.366 53.347 52.037 -0.094 0.000 0.628 315 A CB -0.667 18.287 19.000 -0.077 0.000 0.814 315 A HN 0.456 nan 8.150 nan 0.000 0.444 316 I N -0.311 120.204 120.570 -0.091 0.000 2.179 316 I HA -0.274 3.895 4.170 -0.000 0.000 0.242 316 I C 3.002 179.055 176.117 -0.108 0.000 1.088 316 I CA 1.017 62.266 61.300 -0.086 0.000 1.357 316 I CB -0.351 37.602 38.000 -0.077 0.000 1.051 316 I HN 0.357 nan 8.210 nan 0.000 0.409 317 A N 0.165 122.909 122.820 -0.126 0.000 1.883 317 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 317 A C 2.486 179.972 177.584 -0.163 0.000 1.186 317 A CA 2.443 54.389 52.037 -0.151 0.000 0.624 317 A CB -0.876 18.024 19.000 -0.167 0.000 0.822 317 A HN 0.402 nan 8.150 nan 0.000 0.444 318 S N -0.299 115.310 115.700 -0.153 0.000 2.368 318 S HA -0.141 4.329 4.470 -0.000 0.000 0.225 318 S C 1.924 176.409 174.600 -0.191 0.000 1.030 318 S CA 1.318 59.421 58.200 -0.163 0.000 0.999 318 S CB -0.327 62.788 63.200 -0.142 0.000 0.844 318 S HN 0.585 nan 8.310 nan 0.000 0.459 319 E N 1.221 121.334 120.200 -0.146 0.000 2.058 319 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 319 E C 2.054 178.574 176.600 -0.133 0.000 0.997 319 E CA 0.871 57.201 56.400 -0.118 0.000 0.801 319 E CB -0.503 29.196 29.700 -0.002 0.000 0.746 319 E HN 0.519 nan 8.360 nan 0.000 0.450 320 I N 0.535 121.024 120.570 -0.135 0.000 2.127 320 I HA -0.268 3.902 4.170 -0.000 0.000 0.241 320 I C 2.486 178.456 176.117 -0.245 0.000 1.075 320 I CA 0.943 62.139 61.300 -0.172 0.000 1.334 320 I CB -0.368 37.498 38.000 -0.223 0.000 1.040 320 I HN -0.054 nan 8.210 nan 0.000 0.405 321 V N 0.710 120.463 119.914 -0.267 0.000 2.307 321 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 321 V C 2.530 178.518 176.094 -0.177 0.000 1.045 321 V CA 1.814 63.975 62.300 -0.232 0.000 1.024 321 V CB -0.754 30.964 31.823 -0.175 0.000 0.651 321 V HN 0.355 nan 8.190 nan 0.000 0.449 322 R N -0.621 119.701 120.500 -0.296 0.000 2.139 322 R HA -0.154 4.186 4.340 -0.000 0.000 0.243 322 R C 2.071 178.138 176.300 -0.388 0.000 1.145 322 R CA 1.499 57.358 56.100 -0.402 0.000 0.976 322 R CB -0.332 29.585 30.300 -0.638 0.000 0.866 322 R HN 0.637 nan 8.270 nan 0.000 0.449 323 H N -0.770 118.282 119.070 -0.029 0.000 2.553 323 H HA 0.073 4.629 4.556 -0.000 0.000 0.265 323 H C -0.043 175.293 175.328 0.013 0.000 0.964 323 H CA 0.260 56.298 56.048 -0.018 0.000 1.156 323 H CB 0.137 29.878 29.762 -0.035 0.000 1.411 323 H HN 0.139 nan 8.280 nan 0.000 0.558 324 D N 0.333 120.781 120.400 0.081 0.000 2.746 324 D HA -0.160 4.479 4.640 -0.000 0.000 0.236 324 D C 0.161 176.576 176.300 0.192 0.000 1.129 324 D CA 0.092 54.228 54.000 0.227 0.000 0.691 324 D CB -1.350 39.582 40.800 0.220 0.000 1.077 324 D HN 0.322 nan 8.370 nan 0.000 0.432 325 L N 0.180 121.393 121.223 -0.017 0.000 2.718 325 L HA 0.128 4.468 4.340 -0.000 0.000 0.242 325 L C 1.512 178.311 176.870 -0.119 0.000 1.203 325 L CA -0.390 54.419 54.840 -0.052 0.000 1.011 325 L CB -0.382 41.625 42.059 -0.087 0.000 1.250 325 L HN 0.212 nan 8.230 nan 0.000 0.437 326 F N 0.474 120.392 119.950 -0.054 0.000 2.147 326 F HA -0.317 4.210 4.527 -0.001 0.000 0.301 326 F C 2.196 177.936 175.800 -0.099 0.000 1.084 326 F CA 1.616 59.575 58.000 -0.068 0.000 1.268 326 F CB -0.246 38.727 39.000 -0.045 0.000 1.009 326 F HN 0.319 nan 8.300 nan 0.000 0.486 327 D N -0.839 119.617 120.400 0.094 0.000 2.201 327 D HA -0.007 4.633 4.640 -0.000 0.000 0.209 327 D C 2.181 178.426 176.300 -0.092 0.000 0.961 327 D CA 0.630 54.636 54.000 0.011 0.000 0.861 327 D CB -0.267 40.564 40.800 0.051 0.000 0.997 327 D HN 0.250 nan 8.370 nan 0.000 0.486 328 R N 0.554 121.008 120.500 -0.077 0.000 2.299 328 R HA 0.122 4.462 4.340 -0.000 0.000 0.197 328 R C 0.070 176.268 176.300 -0.170 0.000 0.971 328 R CA 0.110 56.169 56.100 -0.068 0.000 1.030 328 R CB 0.777 31.068 30.300 -0.016 0.000 0.932 328 R HN 0.013 nan 8.270 nan 0.000 0.477 329 V N 1.754 121.466 119.914 -0.337 0.000 2.555 329 V HA 0.242 4.362 4.120 -0.000 0.000 0.302 329 V C -0.370 175.363 176.094 -0.602 0.000 1.038 329 V CA -0.787 61.324 62.300 -0.316 0.000 0.887 329 V CB 2.081 33.797 31.823 -0.179 0.000 0.991 329 V HN 0.212 nan 8.190 nan 0.000 0.434 330 H N 5.100 124.159 119.070 -0.018 0.000 2.646 330 H HA 0.521 5.077 4.556 -0.000 0.000 0.328 330 H C -0.866 174.463 175.328 0.002 0.000 0.998 330 H CA -0.385 55.661 56.048 -0.003 0.000 1.225 330 H CB 1.942 31.709 29.762 0.008 0.000 1.457 330 H HN 0.442 nan 8.280 nan 0.000 0.505 331 I N 2.554 123.160 120.570 0.060 0.000 2.336 331 I HA 0.456 4.626 4.170 -0.000 0.000 0.292 331 I C 0.673 176.827 176.117 0.062 0.000 0.991 331 I CA -0.314 61.008 61.300 0.038 0.000 1.227 331 I CB 1.795 39.782 38.000 -0.022 0.000 1.366 331 I HN 0.590 nan 8.210 nan 0.000 0.466 332 G N 6.145 114.997 108.800 0.087 0.000 2.672 332 G HA2 0.728 4.688 3.960 -0.000 0.000 0.292 332 G HA3 0.728 4.688 3.960 -0.000 0.000 0.292 332 G C -1.273 173.597 174.900 -0.049 0.000 1.375 332 G CA -0.726 44.400 45.100 0.042 0.000 0.890 332 G HN 0.375 nan 8.290 nan 0.000 0.476 333 L N 0.342 121.445 121.223 -0.200 0.000 2.334 333 L HA 0.586 4.926 4.340 -0.000 0.000 0.275 333 L C -0.842 175.514 176.870 -0.857 0.000 1.036 333 L CA -0.745 53.845 54.840 -0.416 0.000 0.807 333 L CB 2.000 43.780 42.059 -0.465 0.000 1.231 333 L HN 0.439 nan 8.230 nan 0.000 0.438 334 D N 2.774 122.688 120.400 -0.810 0.000 2.472 334 D HA 0.369 5.009 4.640 -0.000 0.000 0.248 334 D C -1.347 174.682 176.300 -0.452 0.000 1.271 334 D CA -0.133 53.461 54.000 -0.678 0.000 0.888 334 D CB 0.504 40.980 40.800 -0.540 0.000 1.337 334 D HN 0.245 nan 8.370 nan 0.000 0.526 335 F N 0.152 119.766 119.950 -0.561 0.000 2.711 335 F HA 0.812 5.339 4.527 -0.000 0.000 0.313 335 F C -1.895 173.849 175.800 -0.093 0.000 1.141 335 F CA -1.700 55.994 58.000 -0.510 0.000 0.941 335 F CB 1.067 39.841 39.000 -0.375 0.000 1.349 335 F HN -0.093 nan 8.300 nan 0.000 0.464 336 F N 0.147 120.255 119.950 0.263 0.000 2.991 336 F HA 0.449 4.976 4.527 -0.000 0.000 0.355 336 F C -1.566 174.266 175.800 0.053 0.000 1.262 336 F CA -0.890 57.206 58.000 0.160 0.000 1.127 336 F CB 1.228 40.314 39.000 0.142 0.000 1.447 336 F HN 0.552 nan 8.300 nan 0.000 0.584 337 D N 2.819 123.290 120.400 0.119 0.000 2.425 337 D HA 0.609 5.249 4.640 -0.000 0.000 0.240 337 D C -0.113 176.178 176.300 -0.014 0.000 1.080 337 D CA -0.421 53.554 54.000 -0.042 0.000 0.836 337 D CB 2.235 42.938 40.800 -0.162 0.000 1.125 337 D HN 0.673 nan 8.370 nan 0.000 0.525 338 A N 2.660 125.491 122.820 0.018 0.000 2.460 338 A HA 0.178 4.498 4.320 -0.000 0.000 0.258 338 A C 1.284 178.909 177.584 0.068 0.000 1.300 338 A CA 0.265 52.332 52.037 0.050 0.000 0.913 338 A CB -0.174 18.883 19.000 0.095 0.000 1.031 338 A HN 0.447 nan 8.150 nan 0.000 0.512 339 S N -0.299 115.400 115.700 -0.002 0.000 2.524 339 S HA 0.388 4.858 4.470 -0.000 0.000 0.215 339 S C 0.589 175.154 174.600 -0.058 0.000 0.986 339 S CA 0.243 58.463 58.200 0.034 0.000 0.911 339 S CB -0.743 62.462 63.200 0.009 0.000 0.805 339 S HN 0.682 nan 8.310 nan 0.000 0.501 340 I N -2.027 118.358 120.570 -0.308 0.000 3.322 340 I HA 0.518 4.688 4.170 -0.000 0.000 0.313 340 I C -0.449 175.025 176.117 -1.073 0.000 1.129 340 I CA -1.330 59.547 61.300 -0.704 0.000 0.963 340 I CB 0.975 38.781 38.000 -0.323 0.000 1.273 340 I HN -0.142 nan 8.210 nan 0.000 0.473 341 N N 1.536 119.621 118.700 -1.025 0.000 2.411 341 N HA 0.025 4.765 4.740 -0.000 0.000 0.261 341 N C 0.556 175.954 175.510 -0.188 0.000 1.248 341 N CA 0.295 53.053 53.050 -0.486 0.000 0.885 341 N CB 0.909 39.349 38.487 -0.078 0.000 1.062 341 N HN 0.619 nan 8.380 nan 0.000 0.471 342 R N 3.590 124.036 120.500 -0.089 0.000 2.148 342 R HA 0.001 4.341 4.340 -0.000 0.000 0.227 342 R C 1.856 178.077 176.300 -0.132 0.000 1.103 342 R CA 0.928 56.925 56.100 -0.172 0.000 0.983 342 R CB 0.081 30.228 30.300 -0.255 0.000 0.874 342 R HN 0.633 nan 8.270 nan 0.000 0.451 343 I N 0.695 121.325 120.570 0.100 0.000 2.202 343 I HA -0.192 3.978 4.170 -0.000 0.000 0.242 343 I C 2.468 178.725 176.117 0.234 0.000 1.091 343 I CA 1.385 62.854 61.300 0.282 0.000 1.368 343 I CB -1.152 37.011 38.000 0.271 0.000 1.058 343 I HN 0.173 nan 8.210 nan 0.000 0.410 344 A N 1.152 124.098 122.820 0.211 0.000 1.940 344 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 344 A C 2.605 180.283 177.584 0.157 0.000 1.176 344 A CA 2.034 54.238 52.037 0.279 0.000 0.631 344 A CB -0.742 18.455 19.000 0.328 0.000 0.814 344 A HN 0.443 nan 8.150 nan 0.000 0.446 345 A N -1.232 121.633 122.820 0.075 0.000 1.883 345 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 345 A C 2.059 179.788 177.584 0.242 0.000 1.186 345 A CA 1.556 53.633 52.037 0.066 0.000 0.624 345 A CB -0.825 18.171 19.000 -0.007 0.000 0.822 345 A HN 0.747 nan 8.150 nan 0.000 0.444 346 W N 0.083 121.457 121.300 0.122 0.000 2.381 346 W HA -0.097 4.562 4.660 -0.000 0.000 0.301 346 W C 2.398 178.917 176.519 -0.000 0.000 1.205 346 W CA 1.353 58.751 57.345 0.088 0.000 1.285 346 W CB -1.080 28.345 29.460 -0.060 0.000 1.133 346 W HN 0.205 nan 8.180 nan 0.000 0.521 347 V N 0.679 120.670 119.914 0.130 0.000 2.287 347 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 347 V C 2.145 178.091 176.094 -0.246 0.000 1.053 347 V CA 1.802 63.967 62.300 -0.226 0.000 1.027 347 V CB -1.028 30.395 31.823 -0.666 0.000 0.646 347 V HN 0.025 nan 8.190 nan 0.000 0.447 348 I N 0.764 121.251 120.570 -0.139 0.000 2.127 348 I HA -0.188 3.982 4.170 -0.000 0.000 0.241 348 I C 2.634 178.746 176.117 -0.008 0.000 1.075 348 I CA 1.915 63.196 61.300 -0.032 0.000 1.334 348 I CB -0.971 37.073 38.000 0.073 0.000 1.040 348 I HN 0.398 nan 8.210 nan 0.000 0.405 349 G N -0.034 108.797 108.800 0.053 0.000 2.418 349 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 349 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 349 G C 1.649 176.632 174.900 0.138 0.000 1.158 349 G CA 1.458 46.615 45.100 0.096 0.000 0.771 349 G HN 0.338 nan 8.290 nan 0.000 0.545 350 T N 0.583 115.228 114.554 0.151 0.000 2.737 350 T HA -0.043 4.307 4.350 -0.000 0.000 0.265 350 T C 2.453 177.184 174.700 0.052 0.000 1.038 350 T CA 1.013 63.165 62.100 0.087 0.000 1.144 350 T CB -0.135 68.763 68.868 0.049 0.000 0.866 350 T HN 0.227 nan 8.240 nan 0.000 0.434 351 R N 1.064 121.585 120.500 0.035 0.000 2.096 351 R HA 0.003 4.343 4.340 -0.000 0.000 0.235 351 R C 2.448 178.698 176.300 -0.084 0.000 1.127 351 R CA 1.066 57.220 56.100 0.090 0.000 0.968 351 R CB -0.224 30.146 30.300 0.117 0.000 0.861 351 R HN 0.281 nan 8.270 nan 0.000 0.440 352 N N 0.669 119.318 118.700 -0.085 0.000 2.084 352 N HA -0.175 4.565 4.740 -0.000 0.000 0.190 352 N C 1.645 177.064 175.510 -0.151 0.000 1.030 352 N CA 1.264 54.227 53.050 -0.145 0.000 0.849 352 N CB -0.176 38.252 38.487 -0.098 0.000 1.012 352 N HN 0.074 nan 8.380 nan 0.000 0.423 353 M N 1.506 121.060 119.600 -0.076 0.000 2.108 353 M HA -0.108 4.372 4.480 -0.000 0.000 0.261 353 M C 1.547 177.788 176.300 -0.099 0.000 1.066 353 M CA 1.629 56.884 55.300 -0.074 0.000 1.107 353 M CB -0.106 32.483 32.600 -0.018 0.000 1.356 353 M HN -0.039 nan 8.290 nan 0.000 0.406 354 K N -0.633 119.732 120.400 -0.058 0.000 2.097 354 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 354 K C 2.017 178.542 176.600 -0.126 0.000 1.050 354 K CA 1.356 57.638 56.287 -0.008 0.000 0.938 354 K CB -0.111 32.525 32.500 0.227 0.000 0.718 354 K HN 0.349 nan 8.250 nan 0.000 0.442 355 K N 0.553 120.724 120.400 -0.381 0.000 2.057 355 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 355 K C 2.168 178.517 176.600 -0.419 0.000 1.049 355 K CA 1.254 57.215 56.287 -0.543 0.000 0.931 355 K CB -0.126 31.944 32.500 -0.716 0.000 0.714 355 K HN 0.120 nan 8.250 nan 0.000 0.440 356 A N 1.265 123.882 122.820 -0.338 0.000 1.908 356 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 356 A C 2.108 179.540 177.584 -0.253 0.000 1.181 356 A CA 1.371 53.224 52.037 -0.306 0.000 0.627 356 A CB -0.698 18.166 19.000 -0.227 0.000 0.818 356 A HN 0.160 nan 8.150 nan 0.000 0.445 357 L N -1.143 119.962 121.223 -0.196 0.000 2.017 357 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 357 L C 2.551 179.326 176.870 -0.158 0.000 1.073 357 L CA 1.355 56.095 54.840 -0.166 0.000 0.745 357 L CB -0.658 41.319 42.059 -0.135 0.000 0.894 357 L HN 0.473 nan 8.230 nan 0.000 0.432 358 L N 0.064 121.201 121.223 -0.144 0.000 2.042 358 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 358 L C 2.692 179.479 176.870 -0.138 0.000 1.076 358 L CA 1.701 56.480 54.840 -0.102 0.000 0.749 358 L CB -0.493 41.580 42.059 0.024 0.000 0.893 358 L HN 0.079 nan 8.230 nan 0.000 0.432 359 R N -0.454 119.897 120.500 -0.248 0.000 2.105 359 R HA -0.114 4.226 4.340 -0.000 0.000 0.239 359 R C 2.294 178.474 176.300 -0.200 0.000 1.135 359 R CA 1.321 57.239 56.100 -0.302 0.000 0.967 359 R CB -0.696 29.273 30.300 -0.551 0.000 0.861 359 R HN 0.551 nan 8.270 nan 0.000 0.442 360 A N 0.901 123.607 122.820 -0.190 0.000 1.933 360 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 360 A C 2.077 179.597 177.584 -0.107 0.000 1.175 360 A CA 1.116 53.065 52.037 -0.148 0.000 0.628 360 A CB -0.410 18.494 19.000 -0.162 0.000 0.814 360 A HN 0.194 nan 8.150 nan 0.000 0.444 361 L N -0.894 120.270 121.223 -0.099 0.000 2.291 361 L HA -0.017 4.322 4.340 -0.000 0.000 0.214 361 L C 1.640 178.460 176.870 -0.083 0.000 1.120 361 L CA 0.499 55.303 54.840 -0.059 0.000 0.799 361 L CB -0.224 41.814 42.059 -0.034 0.000 0.925 361 L HN 0.317 nan 8.230 nan 0.000 0.446 362 L N -0.720 120.430 121.223 -0.123 0.000 2.611 362 L HA 0.099 4.438 4.340 -0.000 0.000 0.229 362 L C 0.920 177.769 176.870 -0.035 0.000 1.137 362 L CA -0.077 54.656 54.840 -0.180 0.000 0.901 362 L CB -0.100 41.733 42.059 -0.376 0.000 1.098 362 L HN 0.166 nan 8.230 nan 0.000 0.456 363 E N 2.798 122.984 120.200 -0.025 0.000 2.289 363 E HA 0.128 4.478 4.350 -0.000 0.000 0.278 363 E C -2.029 174.581 176.600 0.017 0.000 1.032 363 E CA -1.994 54.410 56.400 0.007 0.000 0.854 363 E CB 1.085 30.765 29.700 -0.033 0.000 1.046 363 E HN -0.082 nan 8.360 nan 0.000 0.409 364 P HA 0.072 nan 4.420 nan 0.000 0.220 364 P C 0.189 177.500 177.300 0.018 0.000 1.806 364 P CA -0.112 63.010 63.100 0.038 0.000 0.976 364 P CB 0.265 31.996 31.700 0.052 0.000 1.952 365 T N 0.619 115.174 114.554 0.003 0.000 2.665 365 T HA -0.230 4.120 4.350 -0.000 0.000 0.268 365 T C 1.896 176.598 174.700 0.003 0.000 1.035 365 T CA 2.127 64.222 62.100 -0.008 0.000 1.151 365 T CB -0.378 68.473 68.868 -0.028 0.000 0.862 365 T HN 0.277 nan 8.240 nan 0.000 0.438 366 A N 1.312 124.138 122.820 0.009 0.000 1.865 366 A HA -0.188 4.131 4.320 -0.000 0.000 0.217 366 A C 2.214 179.809 177.584 0.018 0.000 1.191 366 A CA 2.175 54.220 52.037 0.014 0.000 0.623 366 A CB -0.821 18.187 19.000 0.014 0.000 0.826 366 A HN 0.649 nan 8.150 nan 0.000 0.444 367 E N -0.147 120.064 120.200 0.019 0.000 2.049 367 E HA -0.229 4.121 4.350 -0.000 0.000 0.198 367 E C 1.935 178.550 176.600 0.024 0.000 1.007 367 E CA 1.624 58.036 56.400 0.021 0.000 0.809 367 E CB -0.326 29.388 29.700 0.022 0.000 0.749 367 E HN 0.586 nan 8.360 nan 0.000 0.450 368 L N 0.303 121.539 121.223 0.022 0.000 2.042 368 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 368 L C 2.992 179.883 176.870 0.034 0.000 1.076 368 L CA 1.579 56.434 54.840 0.026 0.000 0.749 368 L CB -0.454 41.614 42.059 0.015 0.000 0.893 368 L HN 0.170 nan 8.230 nan 0.000 0.432 369 R N 0.386 120.902 120.500 0.027 0.000 2.096 369 R HA -0.218 4.121 4.340 -0.000 0.000 0.235 369 R C 2.380 178.705 176.300 0.042 0.000 1.127 369 R CA 1.689 57.809 56.100 0.035 0.000 0.968 369 R CB -0.078 30.239 30.300 0.028 0.000 0.861 369 R HN 0.248 nan 8.270 nan 0.000 0.440 370 K N 0.403 120.823 120.400 0.033 0.000 2.057 370 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 370 K C 2.089 178.711 176.600 0.036 0.000 1.050 370 K CA 1.141 57.446 56.287 0.030 0.000 0.935 370 K CB -0.030 32.483 32.500 0.022 0.000 0.715 370 K HN 0.166 nan 8.250 nan 0.000 0.439 371 L N 0.770 122.018 121.223 0.042 0.000 2.056 371 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 371 L C 2.628 179.547 176.870 0.082 0.000 1.078 371 L CA 1.436 56.305 54.840 0.048 0.000 0.749 371 L CB -0.406 41.684 42.059 0.052 0.000 0.901 371 L HN 0.375 nan 8.230 nan 0.000 0.433 372 E N 0.590 120.860 120.200 0.116 0.000 2.085 372 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 372 E C 2.152 178.867 176.600 0.192 0.000 0.994 372 E CA 1.287 57.813 56.400 0.210 0.000 0.801 372 E CB -0.042 29.738 29.700 0.134 0.000 0.743 372 E HN 0.447 nan 8.360 nan 0.000 0.453 373 A N 0.715 123.596 122.820 0.102 0.000 2.125 373 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 373 A C -0.548 177.058 177.584 0.036 0.000 1.156 373 A CA 0.715 52.795 52.037 0.071 0.000 0.671 373 A CB -0.755 18.272 19.000 0.046 0.000 0.794 373 A HN 0.299 nan 8.150 nan 0.000 0.459 374 P HA 0.229 nan 4.420 nan 0.000 0.267 374 P C 0.741 177.976 177.300 -0.108 0.000 1.289 374 P CA 1.002 64.081 63.100 -0.035 0.000 0.866 374 P CB 0.500 32.184 31.700 -0.027 0.000 1.309 375 G N 0.627 109.333 108.800 -0.156 0.000 2.143 375 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.248 375 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.248 375 G C 0.158 174.709 174.900 -0.580 0.000 0.991 375 G CA -0.094 44.684 45.100 -0.537 0.000 0.689 375 G HN 0.312 nan 8.290 nan 0.000 0.522 376 D N 0.101 120.375 120.400 -0.210 0.000 2.619 376 D HA 0.350 4.990 4.640 -0.000 0.000 0.224 376 D C 1.268 177.613 176.300 0.074 0.000 1.133 376 D CA -0.717 53.226 54.000 -0.095 0.000 1.017 376 D CB -0.225 40.557 40.800 -0.029 0.000 1.077 376 D HN 0.291 nan 8.370 nan 0.000 0.503 377 Y N 0.337 120.637 120.300 -0.000 0.000 2.439 377 Y HA -0.089 4.461 4.550 -0.001 0.000 0.292 377 Y C 2.422 178.321 175.900 -0.001 0.000 1.130 377 Y CA 0.521 58.621 58.100 -0.000 0.000 1.254 377 Y CB -0.856 37.604 38.460 -0.000 0.000 1.000 377 Y HN 0.212 nan 8.280 nan 0.000 0.554 378 T N 0.197 114.833 114.554 0.138 0.000 2.643 378 T HA -0.172 4.178 4.350 -0.000 0.000 0.264 378 T C 2.312 177.049 174.700 0.062 0.000 1.045 378 T CA 1.642 63.788 62.100 0.077 0.000 1.155 378 T CB -0.609 68.281 68.868 0.036 0.000 0.863 378 T HN 0.384 nan 8.240 nan 0.000 0.420 379 A N 1.639 124.491 122.820 0.052 0.000 1.902 379 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 379 A C 2.299 179.914 177.584 0.051 0.000 1.181 379 A CA 1.860 53.921 52.037 0.041 0.000 0.623 379 A CB -0.628 18.388 19.000 0.028 0.000 0.818 379 A HN 0.432 nan 8.150 nan 0.000 0.443 380 R N -0.789 119.760 120.500 0.080 0.000 2.083 380 R HA -0.158 4.181 4.340 -0.000 0.000 0.237 380 R C 2.079 178.404 176.300 0.042 0.000 1.137 380 R CA 1.866 58.009 56.100 0.070 0.000 0.951 380 R CB -0.483 29.885 30.300 0.113 0.000 0.851 380 R HN 0.421 nan 8.270 nan 0.000 0.434 381 L N 0.950 122.201 121.223 0.047 0.000 2.017 381 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 381 L C 2.392 179.273 176.870 0.018 0.000 1.073 381 L CA 2.234 57.087 54.840 0.023 0.000 0.745 381 L CB -0.876 41.199 42.059 0.025 0.000 0.894 381 L HN 0.304 nan 8.230 nan 0.000 0.432 382 A N -0.479 122.355 122.820 0.025 0.000 1.884 382 A HA -0.237 4.082 4.320 -0.000 0.000 0.219 382 A C 2.295 179.888 177.584 0.015 0.000 1.197 382 A CA 2.229 54.276 52.037 0.018 0.000 0.637 382 A CB -1.038 17.972 19.000 0.017 0.000 0.827 382 A HN 0.475 nan 8.150 nan 0.000 0.450 383 L N -0.902 120.332 121.223 0.018 0.000 2.056 383 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 383 L C 2.651 179.530 176.870 0.015 0.000 1.078 383 L CA 1.476 56.326 54.840 0.017 0.000 0.749 383 L CB -0.857 41.214 42.059 0.021 0.000 0.901 383 L HN 0.437 nan 8.230 nan 0.000 0.433 384 L N -0.638 120.591 121.223 0.010 0.000 2.017 384 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 384 L C 2.701 179.571 176.870 0.001 0.000 1.073 384 L CA 1.198 56.038 54.840 0.000 0.000 0.745 384 L CB -0.403 41.649 42.059 -0.012 0.000 0.894 384 L HN 0.261 nan 8.230 nan 0.000 0.432 385 E N -0.212 119.991 120.200 0.004 0.000 2.106 385 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 385 E C 2.092 178.701 176.600 0.015 0.000 0.984 385 E CA 0.825 57.229 56.400 0.006 0.000 0.806 385 E CB -0.108 29.596 29.700 0.005 0.000 0.750 385 E HN 0.394 nan 8.360 nan 0.000 0.458 386 E N 0.765 120.975 120.200 0.015 0.000 2.265 386 E HA -0.180 4.169 4.350 -0.000 0.000 0.196 386 E C 1.957 178.575 176.600 0.029 0.000 0.996 386 E CA 0.588 56.998 56.400 0.016 0.000 0.832 386 E CB -0.110 29.594 29.700 0.006 0.000 0.756 386 E HN 0.195 nan 8.360 nan 0.000 0.491 387 Q N 1.466 121.288 119.800 0.037 0.000 2.135 387 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 387 Q C 1.678 177.741 176.000 0.106 0.000 0.981 387 Q CA 1.686 57.531 55.803 0.069 0.000 0.856 387 Q CB -0.041 28.727 28.738 0.051 0.000 0.902 387 Q HN 0.150 nan 8.270 nan 0.000 0.425 388 K N -0.409 120.036 120.400 0.076 0.000 2.211 388 K HA -0.068 4.252 4.320 -0.000 0.000 0.204 388 K C 1.523 178.230 176.600 0.179 0.000 1.047 388 K CA 1.342 57.693 56.287 0.107 0.000 0.935 388 K CB -0.013 32.520 32.500 0.055 0.000 0.728 388 K HN 0.302 nan 8.250 nan 0.000 0.452 389 S N 0.169 115.938 115.700 0.116 0.000 2.572 389 S HA 0.215 4.685 4.470 -0.000 0.000 0.228 389 S C 0.488 175.128 174.600 0.066 0.000 0.963 389 S CA -0.537 57.719 58.200 0.093 0.000 0.939 389 S CB -0.138 63.088 63.200 0.044 0.000 0.804 389 S HN 0.031 nan 8.310 nan 0.000 0.480 390 L N 2.270 123.555 121.223 0.104 0.000 2.439 390 L HA 0.388 4.728 4.340 -0.000 0.000 0.261 390 L C -1.932 175.010 176.870 0.121 0.000 1.153 390 L CA -2.414 52.411 54.840 -0.025 0.000 0.808 390 L CB 0.463 42.404 42.059 -0.197 0.000 1.126 390 L HN -0.036 nan 8.230 nan 0.000 0.460 391 P HA -0.048 nan 4.420 nan 0.000 0.228 391 P C 0.646 178.154 177.300 0.347 0.000 1.748 391 P CA -0.109 63.038 63.100 0.079 0.000 0.909 391 P CB -0.433 31.267 31.700 0.001 0.000 1.882 392 W N 0.565 122.113 121.300 0.415 0.000 2.465 392 W HA -0.092 4.568 4.660 0.000 0.000 0.268 392 W C 0.639 177.326 176.519 0.280 0.000 1.242 392 W CA 0.269 57.822 57.345 0.347 0.000 1.248 392 W CB -1.404 28.187 29.460 0.219 0.000 1.118 392 W HN 0.069 nan 8.180 nan 0.000 0.587 393 Q N 1.729 121.014 119.800 -0.858 0.000 2.124 393 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 393 Q C 2.784 178.766 176.000 -0.029 0.000 0.977 393 Q CA 3.019 58.351 55.803 -0.786 0.000 0.850 393 Q CB -0.842 27.487 28.738 -0.682 0.000 0.901 393 Q HN 0.352 nan 8.270 nan 0.000 0.429 394 A N -0.227 122.626 122.820 0.055 0.000 1.930 394 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 394 A C 2.251 180.080 177.584 0.407 0.000 1.175 394 A CA 1.421 53.587 52.037 0.216 0.000 0.627 394 A CB -0.599 18.522 19.000 0.202 0.000 0.815 394 A HN 0.234 nan 8.150 nan 0.000 0.443 395 V N -1.025 119.151 119.914 0.436 0.000 2.453 395 V HA -0.232 3.887 4.120 -0.000 0.000 0.247 395 V C 2.241 178.641 176.094 0.510 0.000 1.048 395 V CA 1.550 64.191 62.300 0.569 0.000 1.049 395 V CB -0.966 31.069 31.823 0.354 0.000 0.672 395 V HN 0.884 nan 8.190 nan 0.000 0.457 396 W N 1.470 122.953 121.300 0.304 0.000 2.358 396 W HA -0.161 4.499 4.660 -0.000 0.000 0.303 396 W C 2.086 178.760 176.519 0.257 0.000 1.208 396 W CA 1.808 59.333 57.345 0.300 0.000 1.274 396 W CB -0.049 29.608 29.460 0.329 0.000 1.138 396 W HN 0.356 nan 8.180 nan 0.000 0.515 397 E N 0.425 120.690 120.200 0.109 0.000 2.077 397 E HA -0.305 4.045 4.350 -0.000 0.000 0.193 397 E C 2.056 178.576 176.600 -0.133 0.000 0.989 397 E CA 1.837 58.185 56.400 -0.086 0.000 0.800 397 E CB -0.517 29.226 29.700 0.070 0.000 0.746 397 E HN 0.172 nan 8.360 nan 0.000 0.452 398 M N 0.138 119.715 119.600 -0.040 0.000 2.159 398 M HA -0.195 4.285 4.480 -0.000 0.000 0.263 398 M C 1.965 178.123 176.300 -0.236 0.000 1.063 398 M CA 1.433 56.584 55.300 -0.248 0.000 1.110 398 M CB -0.428 31.815 32.600 -0.595 0.000 1.374 398 M HN 0.112 nan 8.290 nan 0.000 0.411 399 Y N -0.038 120.123 120.300 -0.232 0.000 2.128 399 Y HA -0.303 4.247 4.550 -0.000 0.000 0.284 399 Y C 2.423 178.174 175.900 -0.247 0.000 1.154 399 Y CA 1.938 59.925 58.100 -0.189 0.000 1.149 399 Y CB -0.968 37.401 38.460 -0.152 0.000 0.976 399 Y HN 0.382 nan 8.280 nan 0.000 0.505 400 C N 0.207 119.237 119.300 -0.449 0.000 2.413 400 C HA -0.255 4.205 4.460 -0.000 0.000 0.277 400 C C 2.776 177.592 174.990 -0.289 0.000 1.228 400 C CA 1.689 60.427 59.018 -0.467 0.000 1.731 400 C CB -1.256 26.183 27.740 -0.503 0.000 2.042 400 C HN 0.632 nan 8.230 nan 0.000 0.468 401 Q N 0.532 120.181 119.800 -0.252 0.000 2.061 401 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 401 Q C 2.402 178.261 176.000 -0.235 0.000 0.984 401 Q CA 1.629 57.307 55.803 -0.208 0.000 0.846 401 Q CB -0.257 28.359 28.738 -0.203 0.000 0.902 401 Q HN 0.645 nan 8.270 nan 0.000 0.421 402 R N -0.863 119.459 120.500 -0.297 0.000 2.152 402 R HA -0.081 4.259 4.340 -0.000 0.000 0.232 402 R C 1.490 177.532 176.300 -0.430 0.000 1.117 402 R CA 0.860 56.748 56.100 -0.352 0.000 0.981 402 R CB -0.111 29.952 30.300 -0.396 0.000 0.870 402 R HN 0.420 nan 8.270 nan 0.000 0.451 403 H N 0.568 119.409 119.070 -0.383 0.000 2.517 403 H HA 0.061 4.617 4.556 -0.000 0.000 0.282 403 H C -0.406 174.774 175.328 -0.246 0.000 1.023 403 H CA 0.029 55.867 56.048 -0.349 0.000 1.169 403 H CB 0.295 29.773 29.762 -0.473 0.000 1.454 403 H HN 0.171 nan 8.280 nan 0.000 0.556 404 D N 1.662 121.981 120.400 -0.136 0.000 2.697 404 D HA -0.129 4.511 4.640 -0.000 0.000 0.238 404 D C -0.406 175.848 176.300 -0.078 0.000 1.152 404 D CA 0.801 54.740 54.000 -0.101 0.000 0.666 404 D CB -1.219 39.528 40.800 -0.090 0.000 1.037 404 D HN 0.312 nan 8.370 nan 0.000 0.423 405 T N 0.182 114.679 114.554 -0.094 0.000 2.900 405 T HA 0.476 4.826 4.350 -0.000 0.000 0.295 405 T C -2.492 172.185 174.700 -0.039 0.000 1.044 405 T CA -1.288 60.770 62.100 -0.069 0.000 0.995 405 T CB 2.734 71.529 68.868 -0.122 0.000 1.072 405 T HN -0.214 nan 8.240 nan 0.000 0.473 406 P HA 0.218 nan 4.420 nan 0.000 0.265 406 P C 0.114 177.477 177.300 0.105 0.000 1.193 406 P CA -0.089 63.074 63.100 0.104 0.000 0.765 406 P CB 0.428 32.262 31.700 0.224 0.000 0.823 407 A N 3.082 125.947 122.820 0.076 0.000 2.016 407 A HA 0.293 4.613 4.320 -0.000 0.000 0.217 407 A C 1.229 178.957 177.584 0.240 0.000 1.162 407 A CA 1.730 53.809 52.037 0.071 0.000 0.662 407 A CB -0.625 18.381 19.000 0.010 0.000 0.812 407 A HN 0.618 nan 8.150 nan 0.000 0.450 408 G N -1.772 107.173 108.800 0.242 0.000 3.247 408 G HA2 0.371 4.331 3.960 -0.000 0.000 0.226 408 G HA3 0.371 4.331 3.960 -0.000 0.000 0.226 408 G C 0.960 176.010 174.900 0.250 0.000 1.220 408 G CA 0.690 45.947 45.100 0.262 0.000 0.875 408 G HN 0.509 nan 8.290 nan 0.000 0.606 409 S N -0.260 115.470 115.700 0.050 0.000 2.465 409 S HA -0.132 4.338 4.470 -0.000 0.000 0.241 409 S C 1.678 176.071 174.600 -0.346 0.000 1.000 409 S CA 2.075 60.138 58.200 -0.227 0.000 0.964 409 S CB -0.357 62.748 63.200 -0.158 0.000 0.763 409 S HN 0.575 nan 8.310 nan 0.000 0.512 410 E N 2.205 122.342 120.200 -0.105 0.000 2.171 410 E HA -0.159 4.191 4.350 -0.000 0.000 0.197 410 E C 1.815 178.403 176.600 -0.020 0.000 0.997 410 E CA 1.358 57.728 56.400 -0.051 0.000 0.810 410 E CB -0.949 28.769 29.700 0.030 0.000 0.738 410 E HN 0.967 nan 8.360 nan 0.000 0.467 411 W N 0.954 122.288 121.300 0.057 0.000 2.341 411 W HA -0.136 4.524 4.660 -0.000 0.000 0.283 411 W C 1.342 177.899 176.519 0.063 0.000 1.215 411 W CA 0.319 57.699 57.345 0.058 0.000 1.211 411 W CB -0.734 28.769 29.460 0.071 0.000 1.131 411 W HN 0.141 nan 8.180 nan 0.000 0.552 412 L N 2.116 122.982 121.223 -0.595 0.000 2.275 412 L HA -0.125 4.215 4.340 -0.000 0.000 0.215 412 L C 2.409 179.212 176.870 -0.113 0.000 1.119 412 L CA 1.888 56.413 54.840 -0.526 0.000 0.790 412 L CB -0.656 40.955 42.059 -0.747 0.000 0.919 412 L HN -0.231 nan 8.230 nan 0.000 0.443 413 E N -0.590 119.573 120.200 -0.060 0.000 2.106 413 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 413 E C 2.280 178.929 176.600 0.081 0.000 0.984 413 E CA 1.286 57.693 56.400 0.011 0.000 0.806 413 E CB -0.480 29.222 29.700 0.003 0.000 0.750 413 E HN 0.483 nan 8.360 nan 0.000 0.458 414 S N 0.667 116.440 115.700 0.121 0.000 2.356 414 S HA -0.115 4.355 4.470 -0.000 0.000 0.223 414 S C 2.262 176.986 174.600 0.207 0.000 1.032 414 S CA 1.235 59.532 58.200 0.162 0.000 1.005 414 S CB -0.358 62.949 63.200 0.178 0.000 0.867 414 S HN 0.058 nan 8.310 nan 0.000 0.449 415 V N 1.948 122.011 119.914 0.249 0.000 2.407 415 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 415 V C 2.466 178.712 176.094 0.253 0.000 1.055 415 V CA 1.645 64.116 62.300 0.285 0.000 1.049 415 V CB -0.629 31.407 31.823 0.355 0.000 0.662 415 V HN 0.356 nan 8.190 nan 0.000 0.455 416 R N -0.028 120.575 120.500 0.171 0.000 2.092 416 R HA -0.091 4.249 4.340 -0.000 0.000 0.231 416 R C 2.444 178.831 176.300 0.146 0.000 1.119 416 R CA 1.389 57.573 56.100 0.140 0.000 0.970 416 R CB -0.561 29.787 30.300 0.080 0.000 0.864 416 R HN 0.537 nan 8.270 nan 0.000 0.440 417 A N 0.377 123.286 122.820 0.149 0.000 1.877 417 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 417 A C 1.978 179.672 177.584 0.183 0.000 1.186 417 A CA 1.278 53.399 52.037 0.140 0.000 0.620 417 A CB -0.770 18.309 19.000 0.131 0.000 0.822 417 A HN 0.448 nan 8.150 nan 0.000 0.443 418 Y N 0.482 120.840 120.300 0.097 0.000 2.224 418 Y HA -0.199 4.351 4.550 -0.000 0.000 0.289 418 Y C 2.311 178.272 175.900 0.101 0.000 1.146 418 Y CA 2.140 60.301 58.100 0.102 0.000 1.182 418 Y CB -0.300 38.235 38.460 0.125 0.000 0.983 418 Y HN 0.539 nan 8.280 nan 0.000 0.524 419 E N 0.108 120.431 120.200 0.205 0.000 2.058 419 E HA -0.276 4.074 4.350 -0.000 0.000 0.194 419 E C 2.295 178.911 176.600 0.027 0.000 0.997 419 E CA 1.683 58.157 56.400 0.124 0.000 0.801 419 E CB -0.167 29.644 29.700 0.185 0.000 0.746 419 E HN 0.406 nan 8.360 nan 0.000 0.450 420 K N 0.040 120.465 120.400 0.042 0.000 2.026 420 K HA -0.202 4.118 4.320 -0.000 0.000 0.208 420 K C 2.199 178.788 176.600 -0.019 0.000 1.048 420 K CA 1.808 58.105 56.287 0.016 0.000 0.929 420 K CB -0.032 32.488 32.500 0.032 0.000 0.713 420 K HN 0.294 nan 8.250 nan 0.000 0.439 421 E N -0.148 120.032 120.200 -0.033 0.000 2.076 421 E HA -0.131 4.219 4.350 -0.000 0.000 0.190 421 E C 1.683 178.209 176.600 -0.124 0.000 0.979 421 E CA 0.902 57.267 56.400 -0.057 0.000 0.807 421 E CB 0.097 29.784 29.700 -0.021 0.000 0.761 421 E HN 0.156 nan 8.360 nan 0.000 0.454 422 I N 0.626 121.043 120.570 -0.254 0.000 3.345 422 I HA 0.022 4.192 4.170 -0.000 0.000 0.258 422 I C 2.531 178.515 176.117 -0.222 0.000 1.134 422 I CA 0.231 61.337 61.300 -0.324 0.000 1.457 422 I CB -0.935 36.624 38.000 -0.734 0.000 1.425 422 I HN 0.118 nan 8.210 nan 0.000 0.461 423 L N 1.494 122.584 121.223 -0.221 0.000 2.083 423 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 423 L C 2.732 179.581 176.870 -0.035 0.000 1.083 423 L CA 1.729 56.532 54.840 -0.062 0.000 0.752 423 L CB -0.849 41.241 42.059 0.052 0.000 0.899 423 L HN 0.337 nan 8.230 nan 0.000 0.433 424 S N 0.590 116.264 115.700 -0.044 0.000 2.440 424 S HA -0.206 4.264 4.470 -0.000 0.000 0.240 424 S C 1.799 176.378 174.600 -0.034 0.000 1.014 424 S CA 0.992 59.171 58.200 -0.035 0.000 0.980 424 S CB -0.385 62.798 63.200 -0.028 0.000 0.775 424 S HN 0.521 nan 8.310 nan 0.000 0.499 425 R N 0.577 121.053 120.500 -0.040 0.000 2.393 425 R HA 0.334 4.674 4.340 -0.000 0.000 0.244 425 R C 0.589 176.877 176.300 -0.020 0.000 0.920 425 R CA -0.232 55.850 56.100 -0.030 0.000 1.076 425 R CB 0.212 30.492 30.300 -0.033 0.000 1.119 425 R HN 0.391 nan 8.270 nan 0.000 0.524 426 R N 0.000 120.492 120.500 -0.014 0.000 2.786 426 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 426 R CA 0.000 56.102 56.100 0.004 0.000 0.921 426 R CB 0.000 30.314 30.300 0.023 0.000 0.687 426 R HN 0.000 nan 8.270 nan 0.000 0.535