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 1w59_1_B DATA FIRST_RESID 22 DATA SEQUENCE LSPEDKELLE YLQQTKAKIT VVGCGGAGNN TITRLKMEGI EGAKTVAINT DATA SEQUENCE DAQQLIRTKA DKKILIGKKL TRGLGAGGNP KIGEEAAKES AEEIKAAIQD DATA SEQUENCE SDMVFITCGL GGGTGTGSAP VVAEISKKIG ALTVAVVTLP FVMEGKVRMK DATA SEQUENCE NAMEGLERLK QHTDTLVVIP NEKLFEIVPN MPLKLAFKVA DEVLINAVKG DATA SEQUENCE LVELITKDGL INVDFADVKA VMNNGGLAMI GIGESDSEKR AKEAVSMALN DATA SEQUENCE SPLLDVDIDG ATGALIHVMG PEDLTLEEAR EVVATVSSRL DPNATIIWGA DATA SEQUENCE TIDENLENTV RVLLVITGVQ SRIEFTDTGL KRKKLELTGI PKI 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 22 L HA 0.000 nan 4.340 nan 0.000 0.249 22 L C 0.000 176.874 176.870 0.007 0.000 1.165 22 L CA 0.000 54.844 54.840 0.007 0.000 0.813 22 L CB 0.000 42.064 42.059 0.008 0.000 0.961 23 S N 1.403 117.109 115.700 0.009 0.000 2.554 23 S HA 0.466 4.935 4.470 -0.001 0.000 0.278 23 S C -1.688 172.920 174.600 0.013 0.000 1.242 23 S CA -1.389 56.817 58.200 0.010 0.000 1.051 23 S CB 1.394 64.600 63.200 0.010 0.000 0.986 23 S HN 0.480 nan 8.310 nan 0.000 0.502 24 P HA -0.097 nan 4.420 nan 0.000 0.225 24 P C 0.931 178.245 177.300 0.023 0.000 1.148 24 P CA 0.844 63.953 63.100 0.016 0.000 0.779 24 P CB 0.181 31.889 31.700 0.013 0.000 0.780 25 E N 0.260 120.472 120.200 0.021 0.000 2.076 25 E HA -0.143 4.206 4.350 -0.001 0.000 0.190 25 E C 1.401 178.019 176.600 0.030 0.000 0.979 25 E CA 0.938 57.353 56.400 0.025 0.000 0.807 25 E CB -0.193 29.516 29.700 0.015 0.000 0.761 25 E HN 0.022 nan 8.360 nan 0.000 0.454 26 D N 0.476 120.890 120.400 0.024 0.000 2.194 26 D HA -0.123 4.516 4.640 -0.001 0.000 0.204 26 D C 1.717 178.038 176.300 0.035 0.000 0.964 26 D CA 0.601 54.616 54.000 0.026 0.000 0.846 26 D CB -0.118 40.692 40.800 0.017 0.000 0.962 26 D HN 0.162 nan 8.370 nan 0.000 0.490 27 K N 1.235 121.653 120.400 0.030 0.000 2.032 27 K HA -0.203 4.117 4.320 -0.001 0.000 0.209 27 K C 1.920 178.546 176.600 0.044 0.000 1.048 27 K CA 1.288 57.592 56.287 0.028 0.000 0.927 27 K CB 0.008 32.519 32.500 0.018 0.000 0.712 27 K HN 0.052 nan 8.250 nan 0.000 0.441 28 E N 0.605 120.843 120.200 0.063 0.000 2.110 28 E HA -0.181 4.168 4.350 -0.001 0.000 0.193 28 E C 2.210 178.939 176.600 0.214 0.000 0.988 28 E CA 0.903 57.367 56.400 0.106 0.000 0.804 28 E CB -0.037 29.741 29.700 0.130 0.000 0.745 28 E HN 0.337 nan 8.360 nan 0.000 0.458 29 L N 0.531 121.859 121.223 0.175 0.000 1.989 29 L HA -0.232 4.108 4.340 -0.001 0.000 0.211 29 L C 2.671 179.651 176.870 0.184 0.000 1.071 29 L CA 1.045 55.998 54.840 0.189 0.000 0.749 29 L CB -0.480 41.618 42.059 0.065 0.000 0.890 29 L HN 0.252 nan 8.230 nan 0.000 0.431 30 L N -0.276 121.006 121.223 0.098 0.000 2.129 30 L HA -0.270 4.069 4.340 -0.001 0.000 0.212 30 L C 2.585 179.487 176.870 0.052 0.000 1.087 30 L CA 1.273 56.150 54.840 0.062 0.000 0.757 30 L CB -0.415 41.664 42.059 0.033 0.000 0.896 30 L HN 0.370 nan 8.230 nan 0.000 0.434 31 E N -0.835 119.390 120.200 0.042 0.000 2.150 31 E HA -0.220 4.129 4.350 -0.001 0.000 0.193 31 E C 2.032 178.584 176.600 -0.080 0.000 0.985 31 E CA 1.069 57.441 56.400 -0.048 0.000 0.814 31 E CB 0.009 29.640 29.700 -0.115 0.000 0.752 31 E HN 0.492 nan 8.360 nan 0.000 0.466 32 Y N 0.303 120.596 120.300 -0.012 0.000 2.243 32 Y HA -0.097 4.452 4.550 -0.001 0.000 0.293 32 Y C 2.130 178.020 175.900 -0.016 0.000 1.124 32 Y CA 0.812 58.904 58.100 -0.013 0.000 1.159 32 Y CB -0.032 38.421 38.460 -0.011 0.000 1.008 32 Y HN 0.030 nan 8.280 nan 0.000 0.527 33 L N -0.131 121.180 121.223 0.147 0.000 1.990 33 L HA -0.338 4.001 4.340 -0.001 0.000 0.213 33 L C 2.510 179.401 176.870 0.035 0.000 1.072 33 L CA 1.840 56.722 54.840 0.070 0.000 0.755 33 L CB -0.675 41.411 42.059 0.045 0.000 0.889 33 L HN 0.331 nan 8.230 nan 0.000 0.432 34 Q N -0.129 119.683 119.800 0.019 0.000 1.856 34 Q HA -0.290 4.049 4.340 -0.001 0.000 0.228 34 Q C 2.166 178.159 176.000 -0.012 0.000 0.987 34 Q CA 1.968 57.769 55.803 -0.003 0.000 0.873 34 Q CB -0.343 28.387 28.738 -0.013 0.000 0.928 34 Q HN 0.366 nan 8.270 nan 0.000 0.425 35 Q N -0.040 119.743 119.800 -0.028 0.000 2.094 35 Q HA -0.230 4.110 4.340 -0.001 0.000 0.217 35 Q C -0.095 175.890 176.000 -0.024 0.000 1.046 35 Q CA 2.156 57.936 55.803 -0.038 0.000 0.911 35 Q CB -1.012 27.685 28.738 -0.069 0.000 1.038 35 Q HN 0.486 nan 8.270 nan 0.000 0.422 36 T N 1.312 115.864 114.554 -0.003 0.000 2.855 36 T HA 0.320 4.669 4.350 -0.001 0.000 0.314 36 T C -0.220 174.464 174.700 -0.026 0.000 1.077 36 T CA -0.114 61.985 62.100 -0.002 0.000 1.095 36 T CB 0.996 69.887 68.868 0.038 0.000 0.987 36 T HN 0.276 nan 8.240 nan 0.000 0.546 37 K N -0.264 120.101 120.400 -0.059 0.000 3.518 37 K HA 0.235 4.555 4.320 -0.001 0.000 0.460 37 K C -0.690 175.804 176.600 -0.177 0.000 1.259 37 K CA -0.335 55.892 56.287 -0.099 0.000 0.994 37 K CB -0.151 32.308 32.500 -0.067 0.000 1.161 37 K HN 0.917 nan 8.250 nan 0.000 0.446 38 A N 3.069 125.689 122.820 -0.333 0.000 2.483 38 A HA 0.265 4.584 4.320 -0.001 0.000 0.238 38 A C 0.201 177.624 177.584 -0.269 0.000 1.070 38 A CA 0.293 52.028 52.037 -0.504 0.000 0.770 38 A CB 0.246 18.478 19.000 -1.280 0.000 1.008 38 A HN 0.338 nan 8.150 nan 0.000 0.497 39 K N 2.021 122.305 120.400 -0.193 0.000 2.310 39 K HA 0.278 4.597 4.320 -0.001 0.000 0.290 39 K C -0.647 175.932 176.600 -0.035 0.000 1.077 39 K CA -0.037 56.198 56.287 -0.086 0.000 0.922 39 K CB 0.131 32.599 32.500 -0.054 0.000 1.057 39 K HN 0.491 nan 8.250 nan 0.000 0.479 40 I N 3.269 123.843 120.570 0.008 0.000 2.354 40 I HA 0.265 4.434 4.170 -0.001 0.000 0.292 40 I C 0.248 176.424 176.117 0.099 0.000 0.989 40 I CA -0.527 60.834 61.300 0.101 0.000 1.188 40 I CB 1.450 39.535 38.000 0.141 0.000 1.342 40 I HN 0.293 nan 8.210 nan 0.000 0.457 41 T N 5.557 120.198 114.554 0.146 0.000 2.848 41 T HA 0.556 4.905 4.350 -0.001 0.000 0.285 41 T C -0.200 174.607 174.700 0.177 0.000 0.995 41 T CA -0.477 61.691 62.100 0.113 0.000 0.970 41 T CB 2.288 71.202 68.868 0.077 0.000 0.976 41 T HN 0.218 nan 8.240 nan 0.000 0.441 42 V N 3.722 123.707 119.914 0.117 0.000 2.398 42 V HA 0.498 4.618 4.120 -0.001 0.000 0.286 42 V C -0.245 175.901 176.094 0.086 0.000 1.026 42 V CA -0.738 61.639 62.300 0.128 0.000 0.868 42 V CB 1.663 33.494 31.823 0.013 0.000 0.982 42 V HN 0.715 nan 8.190 nan 0.000 0.443 43 V N 3.920 123.895 119.914 0.101 0.000 2.357 43 V HA 0.648 4.767 4.120 -0.001 0.000 0.284 43 V C 0.712 176.840 176.094 0.056 0.000 1.018 43 V CA -0.398 61.940 62.300 0.064 0.000 0.841 43 V CB 1.673 33.530 31.823 0.056 0.000 0.991 43 V HN 0.950 nan 8.190 nan 0.000 0.437 44 G N 3.354 112.176 108.800 0.037 0.000 2.329 44 G HA2 0.459 4.418 3.960 -0.001 0.000 0.309 44 G HA3 0.459 4.418 3.960 -0.001 0.000 0.309 44 G C -0.353 174.560 174.900 0.023 0.000 1.110 44 G CA -0.249 44.869 45.100 0.030 0.000 0.923 44 G HN 0.779 nan 8.290 nan 0.000 0.430 45 C N 2.317 121.631 119.300 0.023 0.000 2.281 45 C HA 0.933 5.393 4.460 -0.001 0.000 0.325 45 C C 1.029 176.027 174.990 0.012 0.000 1.282 45 C CA 0.232 59.260 59.018 0.016 0.000 1.640 45 C CB -0.149 27.601 27.740 0.016 0.000 2.288 45 C HN 1.498 nan 8.230 nan 0.000 0.507 46 G N 2.928 111.733 108.800 0.008 0.000 2.728 46 G HA2 0.222 4.181 3.960 -0.001 0.000 0.294 46 G HA3 0.222 4.181 3.960 -0.001 0.000 0.294 46 G C 0.684 175.586 174.900 0.004 0.000 1.342 46 G CA -0.085 45.017 45.100 0.004 0.000 0.866 46 G HN 1.255 nan 8.290 nan 0.000 0.534 47 G N -0.146 108.653 108.800 -0.002 0.000 2.628 47 G HA2 0.143 4.102 3.960 -0.001 0.000 0.217 47 G HA3 0.143 4.102 3.960 -0.001 0.000 0.217 47 G C 2.238 177.142 174.900 0.006 0.000 1.240 47 G CA 3.554 48.650 45.100 -0.006 0.000 0.792 47 G HN 2.157 nan 8.290 nan 0.000 0.593 48 A N 0.581 123.413 122.820 0.019 0.000 1.972 48 A HA 0.160 4.480 4.320 -0.001 0.000 0.219 48 A C 2.719 180.320 177.584 0.027 0.000 1.169 48 A CA 2.156 54.216 52.037 0.037 0.000 0.635 48 A CB -1.072 17.962 19.000 0.058 0.000 0.810 48 A HN 0.706 nan 8.150 nan 0.000 0.446 49 G N 0.042 108.855 108.800 0.021 0.000 2.440 49 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.218 49 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.218 49 G C 1.398 176.308 174.900 0.016 0.000 1.154 49 G CA 1.113 46.225 45.100 0.020 0.000 0.767 49 G HN 0.544 nan 8.290 nan 0.000 0.552 50 N N 1.075 119.783 118.700 0.012 0.000 2.300 50 N HA -0.053 4.686 4.740 -0.001 0.000 0.179 50 N C 1.934 177.449 175.510 0.008 0.000 1.016 50 N CA 0.586 53.642 53.050 0.009 0.000 0.876 50 N CB -0.341 38.148 38.487 0.005 0.000 0.979 50 N HN 0.204 nan 8.380 nan 0.000 0.432 51 N N 0.319 119.026 118.700 0.012 0.000 2.223 51 N HA -0.057 4.682 4.740 -0.001 0.000 0.185 51 N C 1.425 176.942 175.510 0.012 0.000 1.016 51 N CA 0.986 54.044 53.050 0.013 0.000 0.863 51 N CB -0.394 38.107 38.487 0.023 0.000 0.983 51 N HN 0.253 nan 8.380 nan 0.000 0.429 52 T N 1.966 116.528 114.554 0.012 0.000 2.770 52 T HA 0.060 4.409 4.350 -0.001 0.000 0.263 52 T C 1.985 176.684 174.700 -0.002 0.000 1.039 52 T CA 0.307 62.411 62.100 0.006 0.000 1.142 52 T CB 0.081 68.954 68.868 0.008 0.000 0.868 52 T HN 0.075 nan 8.240 nan 0.000 0.435 53 I N 1.992 122.563 120.570 0.001 0.000 2.226 53 I HA -0.149 4.021 4.170 -0.001 0.000 0.245 53 I C 2.610 178.725 176.117 -0.004 0.000 1.100 53 I CA 1.496 62.795 61.300 -0.002 0.000 1.374 53 I CB -1.657 36.345 38.000 0.004 0.000 1.057 53 I HN 0.284 nan 8.210 nan 0.000 0.413 54 T N 1.030 115.583 114.554 -0.001 0.000 2.684 54 T HA -0.175 4.175 4.350 -0.001 0.000 0.267 54 T C 2.068 176.766 174.700 -0.004 0.000 1.036 54 T CA 1.151 63.250 62.100 -0.002 0.000 1.148 54 T CB -0.130 68.739 68.868 0.000 0.000 0.863 54 T HN 0.219 nan 8.240 nan 0.000 0.436 55 R N 0.884 121.381 120.500 -0.004 0.000 2.066 55 R HA 0.099 4.438 4.340 -0.001 0.000 0.232 55 R C 2.559 178.851 176.300 -0.013 0.000 1.131 55 R CA 0.888 56.984 56.100 -0.007 0.000 0.955 55 R CB -1.134 29.163 30.300 -0.006 0.000 0.851 55 R HN 0.417 nan 8.270 nan 0.000 0.432 56 L N 0.825 122.037 121.223 -0.017 0.000 2.079 56 L HA -0.221 4.118 4.340 -0.001 0.000 0.210 56 L C 2.535 179.392 176.870 -0.020 0.000 1.081 56 L CA 1.389 56.214 54.840 -0.026 0.000 0.752 56 L CB -0.476 41.562 42.059 -0.035 0.000 0.896 56 L HN 0.094 nan 8.230 nan 0.000 0.433 57 K N 0.677 121.068 120.400 -0.014 0.000 1.991 57 K HA -0.106 4.213 4.320 -0.001 0.000 0.207 57 K C 2.077 178.671 176.600 -0.010 0.000 1.045 57 K CA 1.638 57.919 56.287 -0.011 0.000 0.937 57 K CB -0.296 32.200 32.500 -0.007 0.000 0.720 57 K HN 0.058 nan 8.250 nan 0.000 0.438 58 M N 0.344 119.939 119.600 -0.008 0.000 2.080 58 M HA -0.184 4.295 4.480 -0.001 0.000 0.260 58 M C 1.909 178.204 176.300 -0.007 0.000 1.068 58 M CA 1.962 57.258 55.300 -0.006 0.000 1.109 58 M CB -0.380 32.217 32.600 -0.005 0.000 1.342 58 M HN 0.211 nan 8.290 nan 0.000 0.405 59 E N -0.288 119.906 120.200 -0.009 0.000 2.358 59 E HA 0.051 4.401 4.350 -0.001 0.000 0.195 59 E C 0.596 177.189 176.600 -0.011 0.000 1.010 59 E CA 0.377 56.771 56.400 -0.010 0.000 0.856 59 E CB 0.086 29.778 29.700 -0.013 0.000 0.795 59 E HN 0.659 nan 8.360 nan 0.000 0.504 60 G N 2.191 110.984 108.800 -0.013 0.000 2.756 60 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.272 60 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.272 60 G C -0.152 174.738 174.900 -0.017 0.000 1.128 60 G CA -0.198 44.894 45.100 -0.013 0.000 1.145 60 G HN 0.182 nan 8.290 nan 0.000 0.545 61 I N 0.189 120.744 120.570 -0.024 0.000 2.815 61 I HA 0.320 4.489 4.170 -0.001 0.000 0.291 61 I C 0.733 176.835 176.117 -0.026 0.000 1.209 61 I CA -0.054 61.227 61.300 -0.033 0.000 1.431 61 I CB 0.791 38.760 38.000 -0.052 0.000 1.351 61 I HN 0.475 nan 8.210 nan 0.000 0.585 62 E N 5.700 125.887 120.200 -0.022 0.000 2.227 62 E HA 0.431 4.781 4.350 -0.001 0.000 0.282 62 E C 0.719 177.309 176.600 -0.017 0.000 1.015 62 E CA 0.167 56.559 56.400 -0.014 0.000 0.823 62 E CB 0.528 30.226 29.700 -0.003 0.000 1.081 62 E HN 0.971 nan 8.360 nan 0.000 0.396 63 G N 2.752 111.543 108.800 -0.015 0.000 2.283 63 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.280 63 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.280 63 G C -0.140 174.752 174.900 -0.014 0.000 1.029 63 G CA 0.439 45.529 45.100 -0.016 0.000 0.840 63 G HN 0.735 nan 8.290 nan 0.000 0.505 64 A N -0.894 121.917 122.820 -0.016 0.000 2.547 64 A HA 0.783 5.102 4.320 -0.001 0.000 0.297 64 A C -0.205 177.375 177.584 -0.006 0.000 1.056 64 A CA -0.072 51.961 52.037 -0.008 0.000 0.688 64 A CB 1.286 20.272 19.000 -0.024 0.000 1.282 64 A HN 0.668 nan 8.150 nan 0.000 0.400 65 K N 1.363 121.767 120.400 0.007 0.000 2.234 65 K HA 0.490 4.809 4.320 -0.001 0.000 0.282 65 K C -0.177 176.430 176.600 0.012 0.000 1.039 65 K CA 0.102 56.394 56.287 0.007 0.000 0.928 65 K CB 0.594 33.100 32.500 0.011 0.000 1.039 65 K HN 0.810 nan 8.250 nan 0.000 0.470 66 T N 0.335 114.892 114.554 0.005 0.000 2.767 66 T HA 0.428 4.777 4.350 -0.001 0.000 0.284 66 T C -0.370 174.337 174.700 0.011 0.000 0.973 66 T CA -0.840 61.263 62.100 0.006 0.000 0.996 66 T CB 1.191 70.058 68.868 -0.003 0.000 0.927 66 T HN 0.187 nan 8.240 nan 0.000 0.456 67 V N 2.519 122.444 119.914 0.018 0.000 2.487 67 V HA 0.772 4.891 4.120 -0.001 0.000 0.298 67 V C 0.067 176.172 176.094 0.017 0.000 1.028 67 V CA -1.052 61.258 62.300 0.017 0.000 0.860 67 V CB 1.495 33.331 31.823 0.022 0.000 0.991 67 V HN 1.255 nan 8.190 nan 0.000 0.427 68 A N 6.687 129.514 122.820 0.011 0.000 2.287 68 A HA 0.903 5.222 4.320 -0.001 0.000 0.317 68 A C -0.550 177.039 177.584 0.008 0.000 1.220 68 A CA -0.519 51.524 52.037 0.010 0.000 0.835 68 A CB 0.704 19.708 19.000 0.007 0.000 1.180 68 A HN 1.018 nan 8.150 nan 0.000 0.500 69 I N 0.323 120.899 120.570 0.009 0.000 2.474 69 I HA 0.762 4.931 4.170 -0.001 0.000 0.294 69 I C -0.713 175.406 176.117 0.005 0.000 1.005 69 I CA -0.706 60.598 61.300 0.006 0.000 1.113 69 I CB 2.072 40.076 38.000 0.006 0.000 1.289 69 I HN 0.688 nan 8.210 nan 0.000 0.436 70 N N 2.385 121.086 118.700 0.002 0.000 2.591 70 N HA 0.265 5.005 4.740 -0.001 0.000 0.263 70 N C -0.243 175.266 175.510 -0.001 0.000 1.308 70 N CA -0.509 52.541 53.050 0.000 0.000 0.837 70 N CB 2.658 41.145 38.487 -0.001 0.000 1.548 70 N HN 0.700 nan 8.380 nan 0.000 0.493 71 T N -0.776 113.776 114.554 -0.002 0.000 3.037 71 T HA 0.046 4.395 4.350 -0.001 0.000 0.252 71 T C -0.518 174.180 174.700 -0.004 0.000 1.073 71 T CA 0.473 62.572 62.100 -0.003 0.000 1.091 71 T CB -0.172 68.695 68.868 -0.003 0.000 0.935 71 T HN 0.437 nan 8.240 nan 0.000 0.488 72 D N 1.067 121.464 120.400 -0.005 0.000 2.396 72 D HA 0.411 5.051 4.640 -0.001 0.000 0.225 72 D C 1.247 177.544 176.300 -0.006 0.000 1.121 72 D CA -0.060 53.936 54.000 -0.007 0.000 0.853 72 D CB 1.578 42.372 40.800 -0.009 0.000 1.043 72 D HN 0.234 nan 8.370 nan 0.000 0.500 73 A N 4.291 127.108 122.820 -0.005 0.000 1.903 73 A HA -0.277 4.042 4.320 -0.001 0.000 0.219 73 A C 2.001 179.582 177.584 -0.005 0.000 1.191 73 A CA 1.853 53.887 52.037 -0.005 0.000 0.638 73 A CB -0.554 18.444 19.000 -0.004 0.000 0.823 73 A HN 0.750 nan 8.150 nan 0.000 0.451 74 Q N -0.879 118.917 119.800 -0.007 0.000 2.030 74 Q HA -0.278 4.061 4.340 -0.001 0.000 0.204 74 Q C 2.304 178.299 176.000 -0.008 0.000 0.986 74 Q CA 2.071 57.869 55.803 -0.008 0.000 0.843 74 Q CB -0.188 28.544 28.738 -0.009 0.000 0.904 74 Q HN 0.810 nan 8.270 nan 0.000 0.420 75 Q N -0.260 119.535 119.800 -0.009 0.000 2.079 75 Q HA -0.161 4.178 4.340 -0.001 0.000 0.200 75 Q C 2.142 178.138 176.000 -0.006 0.000 0.974 75 Q CA 1.077 56.875 55.803 -0.009 0.000 0.840 75 Q CB -0.063 28.669 28.738 -0.011 0.000 0.898 75 Q HN 0.312 nan 8.270 nan 0.000 0.430 76 L N 0.768 121.988 121.223 -0.005 0.000 2.083 76 L HA -0.165 4.174 4.340 -0.001 0.000 0.209 76 L C 1.922 178.791 176.870 -0.003 0.000 1.083 76 L CA 1.540 56.378 54.840 -0.003 0.000 0.752 76 L CB -0.267 41.791 42.059 -0.002 0.000 0.899 76 L HN 0.222 nan 8.230 nan 0.000 0.433 77 I N -1.061 119.507 120.570 -0.003 0.000 2.286 77 I HA -0.282 3.887 4.170 -0.001 0.000 0.248 77 I C 2.399 178.514 176.117 -0.003 0.000 1.115 77 I CA 1.045 62.343 61.300 -0.003 0.000 1.392 77 I CB -0.368 37.630 38.000 -0.004 0.000 1.065 77 I HN 0.228 nan 8.210 nan 0.000 0.418 78 R N 0.046 120.543 120.500 -0.004 0.000 2.189 78 R HA 0.010 4.349 4.340 -0.001 0.000 0.218 78 R C 0.676 176.974 176.300 -0.002 0.000 1.074 78 R CA 0.596 56.694 56.100 -0.003 0.000 0.991 78 R CB -0.479 29.818 30.300 -0.004 0.000 0.883 78 R HN 0.281 nan 8.270 nan 0.000 0.457 79 T N 1.684 116.237 114.554 -0.002 0.000 2.930 79 T HA 0.135 4.484 4.350 -0.001 0.000 0.306 79 T C 0.007 174.706 174.700 -0.001 0.000 1.045 79 T CA 0.199 62.299 62.100 -0.001 0.000 1.134 79 T CB 0.960 69.828 68.868 0.000 0.000 0.961 79 T HN -0.167 nan 8.240 nan 0.000 0.545 80 K N 1.457 121.857 120.400 -0.001 0.000 2.292 80 K HA 0.811 5.131 4.320 -0.001 0.000 0.257 80 K C -0.646 175.953 176.600 -0.001 0.000 0.940 80 K CA -0.457 55.829 56.287 -0.001 0.000 0.811 80 K CB 1.942 34.440 32.500 -0.002 0.000 1.120 80 K HN 0.774 nan 8.250 nan 0.000 0.428 81 A N 1.614 124.433 122.820 -0.001 0.000 2.601 81 A HA 0.356 4.675 4.320 -0.001 0.000 0.291 81 A C -0.435 177.149 177.584 -0.001 0.000 1.075 81 A CA -0.660 51.376 52.037 -0.000 0.000 0.671 81 A CB 0.721 19.722 19.000 0.002 0.000 1.277 81 A HN 0.591 nan 8.150 nan 0.000 0.417 82 D N -0.075 120.325 120.400 -0.000 0.000 2.178 82 D HA -0.006 4.634 4.640 -0.001 0.000 0.201 82 D C 0.362 176.662 176.300 0.001 0.000 0.980 82 D CA 1.885 55.885 54.000 -0.000 0.000 0.842 82 D CB 0.208 41.008 40.800 -0.000 0.000 0.948 82 D HN 0.407 nan 8.370 nan 0.000 0.472 83 K N 0.068 120.470 120.400 0.002 0.000 2.525 83 K HA 0.318 4.637 4.320 -0.001 0.000 0.254 83 K C -1.553 175.049 176.600 0.004 0.000 0.934 83 K CA -0.582 55.707 56.287 0.003 0.000 0.802 83 K CB 1.928 34.430 32.500 0.004 0.000 1.295 83 K HN -0.301 nan 8.250 nan 0.000 0.433 84 K N 3.712 124.114 120.400 0.002 0.000 2.318 84 K HA 0.636 4.955 4.320 -0.001 0.000 0.249 84 K C -0.668 175.933 176.600 0.002 0.000 0.942 84 K CA -0.879 55.409 56.287 0.002 0.000 0.808 84 K CB 1.857 34.358 32.500 0.001 0.000 1.189 84 K HN 0.481 nan 8.250 nan 0.000 0.428 85 I N 2.808 123.379 120.570 0.002 0.000 2.548 85 I HA 0.149 4.319 4.170 -0.001 0.000 0.287 85 I C -1.260 174.857 176.117 0.000 0.000 1.103 85 I CA -0.945 60.355 61.300 0.001 0.000 1.049 85 I CB 1.843 39.845 38.000 0.002 0.000 1.232 85 I HN 0.337 nan 8.210 nan 0.000 0.429 86 L N 8.338 129.561 121.223 -0.001 0.000 2.312 86 L HA 0.469 4.808 4.340 -0.001 0.000 0.287 86 L C 0.149 177.018 176.870 -0.002 0.000 1.091 86 L CA -0.063 54.776 54.840 -0.001 0.000 0.846 86 L CB 0.129 42.187 42.059 -0.002 0.000 1.219 86 L HN 0.436 nan 8.230 nan 0.000 0.439 87 I N 1.729 122.298 120.570 -0.002 0.000 2.886 87 I HA 0.526 4.695 4.170 -0.001 0.000 0.299 87 I C 1.289 177.405 176.117 -0.003 0.000 1.044 87 I CA -0.291 61.008 61.300 -0.002 0.000 1.310 87 I CB 0.456 38.454 38.000 -0.003 0.000 1.441 87 I HN 0.780 nan 8.210 nan 0.000 0.578 88 G N 3.091 111.889 108.800 -0.003 0.000 2.379 88 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.297 88 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.297 88 G C 0.809 175.707 174.900 -0.002 0.000 1.004 88 G CA 0.903 46.002 45.100 -0.003 0.000 0.921 88 G HN 0.995 nan 8.290 nan 0.000 0.511 89 K N -0.453 119.945 120.400 -0.002 0.000 2.360 89 K HA -0.018 4.301 4.320 -0.001 0.000 0.201 89 K C 2.354 178.952 176.600 -0.002 0.000 1.046 89 K CA 1.493 57.778 56.287 -0.002 0.000 0.945 89 K CB -0.133 32.365 32.500 -0.002 0.000 0.750 89 K HN 0.512 nan 8.250 nan 0.000 0.464 90 K N -0.245 120.153 120.400 -0.002 0.000 2.242 90 K HA -0.027 4.292 4.320 -0.001 0.000 0.200 90 K C 1.720 178.319 176.600 -0.001 0.000 1.050 90 K CA 0.393 56.679 56.287 -0.002 0.000 0.981 90 K CB 0.135 32.634 32.500 -0.002 0.000 0.795 90 K HN 0.073 nan 8.250 nan 0.000 0.477 91 L N 0.251 121.473 121.223 -0.002 0.000 2.375 91 L HA 0.071 4.411 4.340 -0.001 0.000 0.215 91 L C 1.408 178.277 176.870 -0.001 0.000 1.108 91 L CA 1.661 56.500 54.840 -0.001 0.000 0.830 91 L CB 0.317 42.375 42.059 -0.001 0.000 0.959 91 L HN -0.062 nan 8.230 nan 0.000 0.457 92 T N -1.922 112.631 114.554 -0.002 0.000 2.964 92 T HA 0.180 4.529 4.350 -0.001 0.000 0.249 92 T C 0.947 175.645 174.700 -0.002 0.000 1.000 92 T CA 0.197 62.296 62.100 -0.002 0.000 0.992 92 T CB 0.504 69.371 68.868 -0.003 0.000 1.087 92 T HN 0.241 nan 8.240 nan 0.000 0.489 93 R N -0.031 120.468 120.500 -0.002 0.000 3.963 93 R HA -0.203 4.136 4.340 -0.001 0.000 0.394 93 R C 0.956 177.254 176.300 -0.003 0.000 1.131 93 R CA 0.687 56.786 56.100 -0.002 0.000 1.059 93 R CB -1.704 28.595 30.300 -0.002 0.000 1.614 93 R HN 0.662 nan 8.270 nan 0.000 0.546 94 G N -0.367 108.431 108.800 -0.003 0.000 2.157 94 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.239 94 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.239 94 G C 0.409 175.306 174.900 -0.005 0.000 0.982 94 G CA 0.275 45.373 45.100 -0.004 0.000 0.650 94 G HN 0.292 nan 8.290 nan 0.000 0.527 95 L N 0.421 121.641 121.223 -0.004 0.000 2.558 95 L HA 0.464 4.804 4.340 -0.001 0.000 0.225 95 L C 1.547 178.413 176.870 -0.006 0.000 1.128 95 L CA 0.861 55.698 54.840 -0.005 0.000 0.868 95 L CB -0.163 41.893 42.059 -0.005 0.000 1.006 95 L HN 1.136 nan 8.230 nan 0.000 0.454 96 G N -1.028 107.769 108.800 -0.006 0.000 2.587 96 G HA2 0.007 3.967 3.960 -0.001 0.000 0.686 96 G HA3 0.007 3.967 3.960 -0.001 0.000 0.686 96 G C -0.005 174.892 174.900 -0.005 0.000 1.236 96 G CA -0.397 44.699 45.100 -0.006 0.000 0.820 96 G HN 0.033 nan 8.290 nan 0.000 0.645 97 A N 0.035 122.852 122.820 -0.005 0.000 2.348 97 A HA 0.752 5.071 4.320 -0.001 0.000 0.224 97 A C 2.235 179.817 177.584 -0.003 0.000 1.227 97 A CA 1.718 53.753 52.037 -0.003 0.000 0.885 97 A CB -0.565 18.434 19.000 -0.002 0.000 0.933 97 A HN 3.002 nan 8.150 nan 0.000 0.506 98 G N -0.876 107.922 108.800 -0.005 0.000 2.598 98 G HA2 0.019 3.978 3.960 -0.001 0.000 0.244 98 G HA3 0.019 3.978 3.960 -0.001 0.000 0.244 98 G C 0.867 175.766 174.900 -0.002 0.000 1.302 98 G CA -0.126 44.971 45.100 -0.004 0.000 0.903 98 G HN 1.291 nan 8.290 nan 0.000 0.575 99 G N -0.054 108.747 108.800 0.001 0.000 3.314 99 G HA2 0.332 4.291 3.960 -0.001 0.000 0.238 99 G HA3 0.332 4.291 3.960 -0.001 0.000 0.238 99 G C 0.476 175.379 174.900 0.005 0.000 1.184 99 G CA 0.774 45.876 45.100 0.004 0.000 0.806 99 G HN 0.702 nan 8.290 nan 0.000 0.536 100 N N 0.908 119.610 118.700 0.003 0.000 2.500 100 N HA 0.279 5.018 4.740 -0.001 0.000 0.236 100 N C -1.838 173.675 175.510 0.004 0.000 1.022 100 N CA -2.139 50.913 53.050 0.004 0.000 0.935 100 N CB 2.127 40.616 38.487 0.003 0.000 1.147 100 N HN -0.146 nan 8.380 nan 0.000 0.512 101 P HA -0.092 nan 4.420 nan 0.000 0.221 101 P C 0.664 177.967 177.300 0.005 0.000 1.145 101 P CA 1.251 64.353 63.100 0.004 0.000 0.795 101 P CB 0.417 32.120 31.700 0.004 0.000 0.775 102 K N -0.799 119.604 120.400 0.005 0.000 2.097 102 K HA -0.047 4.272 4.320 -0.001 0.000 0.205 102 K C 1.968 178.570 176.600 0.004 0.000 1.050 102 K CA 1.096 57.387 56.287 0.006 0.000 0.938 102 K CB -0.443 32.061 32.500 0.006 0.000 0.718 102 K HN 0.215 nan 8.250 nan 0.000 0.442 103 I N 0.680 121.251 120.570 0.003 0.000 2.233 103 I HA -0.141 4.029 4.170 -0.001 0.000 0.243 103 I C 2.562 178.679 176.117 0.000 0.000 1.093 103 I CA 1.260 62.561 61.300 0.001 0.000 1.380 103 I CB -0.715 37.286 38.000 0.001 0.000 1.067 103 I HN 0.251 nan 8.210 nan 0.000 0.413 104 G N 0.364 109.164 108.800 0.001 0.000 2.442 104 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.219 104 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.219 104 G C 1.532 176.431 174.900 -0.001 0.000 1.141 104 G CA 0.904 46.005 45.100 0.000 0.000 0.763 104 G HN 0.461 nan 8.290 nan 0.000 0.554 105 E N 0.134 120.335 120.200 0.001 0.000 2.017 105 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 105 E C 2.340 178.938 176.600 -0.004 0.000 0.997 105 E CA 1.094 57.494 56.400 -0.001 0.000 0.804 105 E CB -0.068 29.635 29.700 0.004 0.000 0.757 105 E HN 0.269 nan 8.360 nan 0.000 0.448 106 E N 0.335 120.534 120.200 -0.001 0.000 2.160 106 E HA -0.196 4.154 4.350 -0.001 0.000 0.195 106 E C 1.874 178.471 176.600 -0.004 0.000 0.991 106 E CA 1.023 57.421 56.400 -0.002 0.000 0.810 106 E CB -0.361 29.338 29.700 -0.000 0.000 0.742 106 E HN 0.394 nan 8.360 nan 0.000 0.466 107 A N 1.489 124.307 122.820 -0.003 0.000 1.877 107 A HA -0.092 4.227 4.320 -0.001 0.000 0.216 107 A C 2.459 180.040 177.584 -0.006 0.000 1.186 107 A CA 2.203 54.238 52.037 -0.004 0.000 0.620 107 A CB -0.715 18.283 19.000 -0.003 0.000 0.822 107 A HN 0.279 nan 8.150 nan 0.000 0.443 108 A N -0.244 122.572 122.820 -0.007 0.000 1.883 108 A HA -0.204 4.116 4.320 -0.001 0.000 0.217 108 A C 2.127 179.703 177.584 -0.014 0.000 1.186 108 A CA 1.957 53.987 52.037 -0.011 0.000 0.624 108 A CB -0.505 18.487 19.000 -0.014 0.000 0.822 108 A HN 0.548 nan 8.150 nan 0.000 0.444 109 K N -0.714 119.677 120.400 -0.015 0.000 2.032 109 K HA -0.218 4.101 4.320 -0.001 0.000 0.209 109 K C 2.160 178.753 176.600 -0.011 0.000 1.048 109 K CA 1.623 57.901 56.287 -0.016 0.000 0.927 109 K CB -0.215 32.278 32.500 -0.013 0.000 0.712 109 K HN 0.717 nan 8.250 nan 0.000 0.441 110 E N 0.498 120.693 120.200 -0.008 0.000 2.160 110 E HA -0.149 4.200 4.350 -0.001 0.000 0.195 110 E C 0.759 177.355 176.600 -0.006 0.000 0.991 110 E CA 1.202 57.598 56.400 -0.006 0.000 0.810 110 E CB 0.158 29.855 29.700 -0.004 0.000 0.742 110 E HN 0.104 nan 8.360 nan 0.000 0.466 111 S N -0.233 115.463 115.700 -0.007 0.000 2.572 111 S HA 0.296 4.765 4.470 -0.001 0.000 0.228 111 S C 1.273 175.868 174.600 -0.008 0.000 0.963 111 S CA 0.151 58.347 58.200 -0.006 0.000 0.939 111 S CB 0.865 64.062 63.200 -0.005 0.000 0.804 111 S HN 0.419 nan 8.310 nan 0.000 0.480 112 A N 2.602 125.416 122.820 -0.011 0.000 1.882 112 A HA -0.281 4.038 4.320 -0.001 0.000 0.220 112 A C 2.024 179.602 177.584 -0.011 0.000 1.253 112 A CA 2.234 54.262 52.037 -0.015 0.000 0.664 112 A CB -0.879 18.110 19.000 -0.018 0.000 0.838 112 A HN 0.431 nan 8.150 nan 0.000 0.460 113 E N -0.479 119.716 120.200 -0.009 0.000 2.130 113 E HA -0.218 4.131 4.350 -0.001 0.000 0.196 113 E C 1.958 178.555 176.600 -0.005 0.000 0.998 113 E CA 1.787 58.184 56.400 -0.006 0.000 0.806 113 E CB -0.248 29.449 29.700 -0.005 0.000 0.738 113 E HN 0.751 nan 8.360 nan 0.000 0.459 114 E N -0.668 119.529 120.200 -0.004 0.000 2.106 114 E HA -0.127 4.222 4.350 -0.001 0.000 0.192 114 E C 2.030 178.629 176.600 -0.002 0.000 0.984 114 E CA 1.024 57.422 56.400 -0.003 0.000 0.806 114 E CB -0.052 29.646 29.700 -0.003 0.000 0.750 114 E HN 0.337 nan 8.360 nan 0.000 0.458 115 I N 0.951 121.519 120.570 -0.003 0.000 2.202 115 I HA -0.253 3.916 4.170 -0.001 0.000 0.242 115 I C 2.618 178.734 176.117 -0.001 0.000 1.091 115 I CA 0.998 62.297 61.300 -0.002 0.000 1.368 115 I CB -0.282 37.714 38.000 -0.006 0.000 1.058 115 I HN 0.043 nan 8.210 nan 0.000 0.410 116 K N 1.760 122.157 120.400 -0.004 0.000 2.103 116 K HA -0.228 4.091 4.320 -0.001 0.000 0.207 116 K C 2.166 178.766 176.600 0.000 0.000 1.048 116 K CA 1.638 57.923 56.287 -0.003 0.000 0.930 116 K CB -0.124 32.373 32.500 -0.005 0.000 0.716 116 K HN 0.297 nan 8.250 nan 0.000 0.444 117 A N 1.087 123.907 122.820 -0.000 0.000 1.902 117 A HA -0.092 4.227 4.320 -0.001 0.000 0.217 117 A C 2.340 179.925 177.584 0.003 0.000 1.181 117 A CA 1.865 53.903 52.037 0.001 0.000 0.623 117 A CB -0.822 18.178 19.000 -0.000 0.000 0.818 117 A HN 0.508 nan 8.150 nan 0.000 0.443 118 A N -0.092 122.730 122.820 0.004 0.000 2.067 118 A HA 0.101 4.421 4.320 -0.001 0.000 0.219 118 A C 1.787 179.378 177.584 0.012 0.000 1.158 118 A CA 1.334 53.376 52.037 0.007 0.000 0.661 118 A CB -0.645 18.360 19.000 0.009 0.000 0.801 118 A HN 1.029 nan 8.150 nan 0.000 0.452 119 I N -4.692 115.885 120.570 0.012 0.000 4.081 119 I HA 0.241 4.410 4.170 -0.001 0.000 0.333 119 I C 1.544 177.668 176.117 0.013 0.000 1.413 119 I CA 0.180 61.490 61.300 0.017 0.000 1.110 119 I CB 0.052 38.064 38.000 0.021 0.000 1.082 119 I HN 0.092 nan 8.210 nan 0.000 0.402 120 Q N 3.092 122.896 119.800 0.008 0.000 2.028 120 Q HA -0.261 4.078 4.340 -0.001 0.000 0.215 120 Q C 0.431 176.435 176.000 0.006 0.000 1.041 120 Q CA 2.568 58.374 55.803 0.005 0.000 0.897 120 Q CB -0.270 28.469 28.738 0.003 0.000 1.017 120 Q HN 0.625 nan 8.270 nan 0.000 0.418 121 D N 0.364 120.766 120.400 0.004 0.000 3.133 121 D HA 0.204 4.843 4.640 -0.001 0.000 0.288 121 D C -0.927 175.372 176.300 -0.001 0.000 1.346 121 D CA 0.027 54.027 54.000 0.001 0.000 0.934 121 D CB 0.424 41.221 40.800 -0.005 0.000 1.042 121 D HN 0.015 nan 8.370 nan 0.000 0.506 122 S N 0.484 116.189 115.700 0.009 0.000 2.451 122 S HA 0.152 4.621 4.470 -0.001 0.000 0.301 122 S C 0.945 175.557 174.600 0.020 0.000 1.116 122 S CA -0.762 57.446 58.200 0.013 0.000 1.093 122 S CB 2.392 65.612 63.200 0.033 0.000 1.017 122 S HN 0.141 nan 8.310 nan 0.000 0.482 123 D N 1.665 122.065 120.400 -0.000 0.000 2.234 123 D HA 0.026 4.665 4.640 -0.001 0.000 0.205 123 D C 0.446 176.833 176.300 0.146 0.000 0.962 123 D CA 1.009 55.028 54.000 0.031 0.000 0.855 123 D CB 0.269 40.983 40.800 -0.144 0.000 0.951 123 D HN 0.440 nan 8.370 nan 0.000 0.500 124 M N 0.661 120.333 119.600 0.121 0.000 2.322 124 M HA 0.294 4.774 4.480 -0.001 0.000 0.285 124 M C -2.340 174.013 176.300 0.089 0.000 1.119 124 M CA -0.448 54.930 55.300 0.130 0.000 0.953 124 M CB 2.637 35.398 32.600 0.268 0.000 1.701 124 M HN -0.417 nan 8.290 nan 0.000 0.479 125 V N 4.947 124.862 119.914 0.002 0.000 2.495 125 V HA 0.561 4.680 4.120 -0.001 0.000 0.298 125 V C -1.204 174.860 176.094 -0.049 0.000 1.031 125 V CA -0.369 61.959 62.300 0.047 0.000 0.871 125 V CB 1.923 33.767 31.823 0.036 0.000 0.988 125 V HN 0.748 nan 8.190 nan 0.000 0.432 126 F N 5.112 125.087 119.950 0.042 0.000 2.415 126 F HA 0.565 5.091 4.527 -0.001 0.000 0.348 126 F C 0.133 175.950 175.800 0.029 0.000 1.119 126 F CA -0.708 57.315 58.000 0.039 0.000 1.069 126 F CB 1.407 40.431 39.000 0.039 0.000 1.124 126 F HN 0.179 nan 8.300 nan 0.000 0.472 127 I N 3.061 123.727 120.570 0.159 0.000 2.328 127 I HA 0.226 4.395 4.170 -0.001 0.000 0.287 127 I C 0.153 176.337 176.117 0.112 0.000 1.012 127 I CA -0.200 61.164 61.300 0.107 0.000 1.195 127 I CB 0.959 38.995 38.000 0.060 0.000 1.350 127 I HN 0.447 nan 8.210 nan 0.000 0.464 128 T N 6.293 120.907 114.554 0.100 0.000 2.856 128 T HA 0.779 5.128 4.350 -0.001 0.000 0.283 128 T C -0.544 174.184 174.700 0.047 0.000 1.008 128 T CA -0.219 61.928 62.100 0.078 0.000 0.997 128 T CB 1.007 69.920 68.868 0.075 0.000 0.992 128 T HN 0.926 nan 8.240 nan 0.000 0.454 129 C N 1.724 121.045 119.300 0.034 0.000 3.176 129 C HA 0.843 5.302 4.460 -0.001 0.000 0.343 129 C C -0.049 174.948 174.990 0.013 0.000 1.332 129 C CA -0.591 58.441 59.018 0.023 0.000 1.200 129 C CB 0.444 28.196 27.740 0.021 0.000 1.440 129 C HN 1.142 nan 8.230 nan 0.000 0.458 130 G N 1.316 110.125 108.800 0.014 0.000 2.335 130 G HA2 0.611 4.570 3.960 -0.001 0.000 0.316 130 G HA3 0.611 4.570 3.960 -0.001 0.000 0.316 130 G C -0.819 174.084 174.900 0.005 0.000 1.129 130 G CA -0.613 44.492 45.100 0.008 0.000 0.899 130 G HN 0.936 nan 8.290 nan 0.000 0.448 131 L N 1.752 122.967 121.223 -0.014 0.000 2.375 131 L HA 0.614 4.953 4.340 -0.001 0.000 0.271 131 L C 1.417 178.285 176.870 -0.004 0.000 1.107 131 L CA 0.724 55.554 54.840 -0.017 0.000 0.806 131 L CB 1.575 43.609 42.059 -0.042 0.000 1.146 131 L HN 0.860 nan 8.230 nan 0.000 0.447 132 G N 1.202 110.003 108.800 0.002 0.000 2.905 132 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.196 132 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.196 132 G C 0.386 175.298 174.900 0.020 0.000 1.044 132 G CA -0.289 44.821 45.100 0.017 0.000 0.778 132 G HN 0.965 nan 8.290 nan 0.000 0.474 133 G N -0.198 108.612 108.800 0.017 0.000 2.588 133 G HA2 0.553 4.512 3.960 -0.001 0.000 0.281 133 G HA3 0.553 4.512 3.960 -0.001 0.000 0.281 133 G C 1.199 176.102 174.900 0.006 0.000 1.236 133 G CA 0.345 45.452 45.100 0.011 0.000 0.969 133 G HN 1.125 nan 8.290 nan 0.000 0.504 134 G N -1.539 107.263 108.800 0.003 0.000 2.426 134 G HA2 0.007 3.966 3.960 -0.001 0.000 0.214 134 G HA3 0.007 3.966 3.960 -0.001 0.000 0.214 134 G C 1.584 176.485 174.900 0.002 0.000 1.156 134 G CA 1.509 46.610 45.100 0.002 0.000 0.802 134 G HN 0.569 nan 8.290 nan 0.000 0.534 135 T N 0.801 115.355 114.554 0.001 0.000 2.770 135 T HA 0.047 4.397 4.350 -0.001 0.000 0.258 135 T C 2.506 177.208 174.700 0.003 0.000 1.039 135 T CA 1.326 63.427 62.100 0.001 0.000 1.143 135 T CB -0.504 68.363 68.868 -0.001 0.000 0.866 135 T HN 0.288 nan 8.240 nan 0.000 0.428 136 G N 1.358 110.161 108.800 0.004 0.000 2.414 136 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.215 136 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.215 136 G C 1.724 176.628 174.900 0.006 0.000 1.188 136 G CA 1.443 46.548 45.100 0.007 0.000 0.783 136 G HN 0.466 nan 8.290 nan 0.000 0.537 137 T N 0.904 115.460 114.554 0.003 0.000 2.788 137 T HA -0.032 4.317 4.350 -0.001 0.000 0.268 137 T C 2.409 177.112 174.700 0.005 0.000 1.044 137 T CA 1.455 63.556 62.100 0.001 0.000 1.139 137 T CB -0.374 68.492 68.868 -0.003 0.000 0.867 137 T HN 0.351 nan 8.240 nan 0.000 0.454 138 G N 1.318 110.121 108.800 0.005 0.000 2.395 138 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.214 138 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.214 138 G C 1.900 176.803 174.900 0.004 0.000 1.177 138 G CA 0.961 46.064 45.100 0.005 0.000 0.794 138 G HN 0.615 nan 8.290 nan 0.000 0.532 139 S N 0.880 116.582 115.700 0.002 0.000 2.446 139 S HA 0.339 4.808 4.470 -0.001 0.000 0.225 139 S C 2.552 177.152 174.600 0.000 0.000 1.016 139 S CA 1.176 59.376 58.200 -0.001 0.000 0.943 139 S CB -0.145 63.055 63.200 -0.000 0.000 0.786 139 S HN 0.497 nan 8.310 nan 0.000 0.508 140 A N 3.238 126.063 122.820 0.009 0.000 1.883 140 A HA 0.049 4.368 4.320 -0.001 0.000 0.217 140 A C 0.079 177.673 177.584 0.016 0.000 1.186 140 A CA 1.646 53.692 52.037 0.016 0.000 0.624 140 A CB -1.883 17.130 19.000 0.021 0.000 0.822 140 A HN 0.536 nan 8.150 nan 0.000 0.444 141 P HA -0.059 nan 4.420 nan 0.000 0.220 141 P C 1.439 178.701 177.300 -0.063 0.000 1.148 141 P CA 0.930 64.057 63.100 0.046 0.000 0.803 141 P CB 0.008 31.761 31.700 0.090 0.000 0.782 142 V N -0.870 119.004 119.914 -0.066 0.000 2.488 142 V HA -0.137 3.982 4.120 -0.001 0.000 0.246 142 V C 2.338 178.374 176.094 -0.096 0.000 1.046 142 V CA 1.451 63.686 62.300 -0.109 0.000 1.053 142 V CB -0.945 30.842 31.823 -0.061 0.000 0.679 142 V HN -0.042 nan 8.190 nan 0.000 0.458 143 V N 0.534 120.419 119.914 -0.048 0.000 2.427 143 V HA -0.196 3.923 4.120 -0.001 0.000 0.248 143 V C 2.670 178.746 176.094 -0.029 0.000 1.051 143 V CA 1.835 64.118 62.300 -0.028 0.000 1.048 143 V CB -1.072 30.751 31.823 -0.001 0.000 0.666 143 V HN 0.536 nan 8.190 nan 0.000 0.456 144 A N -0.383 122.421 122.820 -0.027 0.000 1.898 144 A HA -0.221 4.098 4.320 -0.001 0.000 0.216 144 A C 2.338 179.906 177.584 -0.028 0.000 1.181 144 A CA 1.699 53.738 52.037 0.003 0.000 0.620 144 A CB -0.440 18.597 19.000 0.062 0.000 0.819 144 A HN 0.551 nan 8.150 nan 0.000 0.442 145 E N -0.045 120.041 120.200 -0.191 0.000 2.106 145 E HA -0.145 4.205 4.350 -0.001 0.000 0.192 145 E C 1.877 178.403 176.600 -0.123 0.000 0.984 145 E CA 1.106 57.320 56.400 -0.311 0.000 0.806 145 E CB -0.165 29.071 29.700 -0.773 0.000 0.750 145 E HN 0.678 nan 8.360 nan 0.000 0.458 146 I N 0.419 120.930 120.570 -0.098 0.000 2.353 146 I HA -0.211 3.958 4.170 -0.001 0.000 0.248 146 I C 2.719 178.823 176.117 -0.022 0.000 1.119 146 I CA 0.719 61.989 61.300 -0.050 0.000 1.417 146 I CB -0.282 37.693 38.000 -0.040 0.000 1.078 146 I HN 0.101 nan 8.210 nan 0.000 0.421 147 S N 0.957 116.648 115.700 -0.015 0.000 2.348 147 S HA -0.209 4.260 4.470 -0.001 0.000 0.221 147 S C 2.084 176.688 174.600 0.008 0.000 1.033 147 S CA 1.466 59.667 58.200 0.001 0.000 1.010 147 S CB -0.084 63.118 63.200 0.003 0.000 0.891 147 S HN 0.292 nan 8.310 nan 0.000 0.442 148 K N 0.614 121.023 120.400 0.014 0.000 2.103 148 K HA -0.091 4.228 4.320 -0.001 0.000 0.207 148 K C 2.295 178.908 176.600 0.022 0.000 1.048 148 K CA 1.303 57.605 56.287 0.027 0.000 0.930 148 K CB -0.189 32.345 32.500 0.056 0.000 0.716 148 K HN 0.380 nan 8.250 nan 0.000 0.444 149 K N 0.762 121.170 120.400 0.013 0.000 2.097 149 K HA -0.095 4.224 4.320 -0.001 0.000 0.206 149 K C 1.939 178.545 176.600 0.009 0.000 1.049 149 K CA 1.277 57.570 56.287 0.010 0.000 0.933 149 K CB -0.158 32.342 32.500 -0.001 0.000 0.717 149 K HN 0.232 nan 8.250 nan 0.000 0.442 150 I N -0.680 119.895 120.570 0.008 0.000 3.291 150 I HA 0.067 4.236 4.170 -0.001 0.000 0.279 150 I C 0.996 177.122 176.117 0.016 0.000 1.294 150 I CA 0.502 61.808 61.300 0.010 0.000 1.428 150 I CB -0.486 37.520 38.000 0.010 0.000 1.070 150 I HN 0.235 nan 8.210 nan 0.000 0.478 151 G N 1.708 110.518 108.800 0.018 0.000 2.149 151 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.235 151 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.235 151 G C 0.191 175.110 174.900 0.031 0.000 1.018 151 G CA 0.014 45.128 45.100 0.023 0.000 0.728 151 G HN 0.738 nan 8.290 nan 0.000 0.508 152 A N -0.360 122.477 122.820 0.029 0.000 2.295 152 A HA 0.784 5.104 4.320 -0.001 0.000 0.318 152 A C 0.697 178.298 177.584 0.027 0.000 1.134 152 A CA -0.568 51.493 52.037 0.041 0.000 0.827 152 A CB 0.899 19.921 19.000 0.036 0.000 1.136 152 A HN 1.090 nan 8.150 nan 0.000 0.493 153 L N 1.959 123.208 121.223 0.043 0.000 2.597 153 L HA 0.101 4.440 4.340 -0.001 0.000 0.271 153 L C -0.170 176.657 176.870 -0.072 0.000 1.157 153 L CA 0.279 55.111 54.840 -0.013 0.000 0.928 153 L CB 0.154 42.211 42.059 -0.003 0.000 1.216 153 L HN 0.743 nan 8.230 nan 0.000 0.481 154 T N 4.600 119.113 114.554 -0.070 0.000 2.811 154 T HA 0.340 4.689 4.350 -0.001 0.000 0.309 154 T C -0.043 174.582 174.700 -0.125 0.000 1.005 154 T CA -0.356 61.696 62.100 -0.081 0.000 0.955 154 T CB 0.836 69.692 68.868 -0.020 0.000 0.970 154 T HN 0.261 nan 8.240 nan 0.000 0.496 155 V N 2.538 122.310 119.914 -0.237 0.000 2.513 155 V HA 0.836 4.956 4.120 -0.001 0.000 0.299 155 V C 0.036 176.054 176.094 -0.127 0.000 1.035 155 V CA -1.065 61.087 62.300 -0.247 0.000 0.889 155 V CB 1.672 33.184 31.823 -0.519 0.000 0.988 155 V HN 0.951 nan 8.190 nan 0.000 0.440 156 A N 4.000 126.806 122.820 -0.023 0.000 2.330 156 A HA 0.835 5.154 4.320 -0.001 0.000 0.313 156 A C -0.946 176.684 177.584 0.077 0.000 1.124 156 A CA -0.526 51.538 52.037 0.043 0.000 0.774 156 A CB 1.645 20.669 19.000 0.039 0.000 1.198 156 A HN 0.707 nan 8.150 nan 0.000 0.465 157 V N 4.013 123.996 119.914 0.114 0.000 2.304 157 V HA 0.522 4.641 4.120 -0.001 0.000 0.278 157 V C -0.030 176.102 176.094 0.063 0.000 1.018 157 V CA -0.418 61.944 62.300 0.102 0.000 0.814 157 V CB 0.658 32.568 31.823 0.145 0.000 1.021 157 V HN 1.023 nan 8.190 nan 0.000 0.440 158 V N 1.812 121.747 119.914 0.035 0.000 3.001 158 V HA 0.951 5.071 4.120 -0.001 0.000 0.314 158 V C 0.010 176.093 176.094 -0.018 0.000 1.099 158 V CA -0.482 61.824 62.300 0.009 0.000 0.989 158 V CB 2.206 34.030 31.823 0.002 0.000 1.040 158 V HN 0.777 nan 8.190 nan 0.000 0.434 159 T N 1.280 115.810 114.554 -0.040 0.000 2.895 159 T HA 0.750 5.099 4.350 -0.001 0.000 0.283 159 T C -0.719 173.919 174.700 -0.104 0.000 1.014 159 T CA -0.626 61.424 62.100 -0.084 0.000 1.037 159 T CB 1.526 70.324 68.868 -0.117 0.000 1.006 159 T HN 0.672 nan 8.240 nan 0.000 0.468 160 L N 3.885 125.027 121.223 -0.134 0.000 2.325 160 L HA 0.548 4.887 4.340 -0.001 0.000 0.279 160 L C -1.979 174.775 176.870 -0.192 0.000 1.054 160 L CA -2.361 52.401 54.840 -0.130 0.000 0.804 160 L CB 1.028 43.022 42.059 -0.109 0.000 1.200 160 L HN 0.588 nan 8.230 nan 0.000 0.436 161 P HA 0.056 nan 4.420 nan 0.000 0.272 161 P C -0.543 176.691 177.300 -0.110 0.000 1.223 161 P CA -0.202 62.825 63.100 -0.122 0.000 0.784 161 P CB 0.327 32.045 31.700 0.031 0.000 0.923 162 F N 0.084 120.046 119.950 0.020 0.000 2.545 162 F HA -0.050 4.476 4.527 -0.001 0.000 0.348 162 F C 2.120 177.958 175.800 0.064 0.000 1.163 162 F CA -0.048 57.972 58.000 0.035 0.000 1.331 162 F CB -0.292 38.705 39.000 -0.005 0.000 1.138 162 F HN 0.131 nan 8.300 nan 0.000 0.602 163 V N 0.798 120.871 119.914 0.265 0.000 2.759 163 V HA -0.255 3.864 4.120 -0.001 0.000 0.256 163 V C 1.698 177.877 176.094 0.141 0.000 1.080 163 V CA 1.722 64.114 62.300 0.153 0.000 1.101 163 V CB -1.224 30.662 31.823 0.104 0.000 0.698 163 V HN 0.913 nan 8.190 nan 0.000 0.477 164 M N -0.464 119.241 119.600 0.175 0.000 2.686 164 M HA 0.123 4.603 4.480 -0.001 0.000 0.246 164 M C 1.462 177.856 176.300 0.156 0.000 1.096 164 M CA 1.575 56.947 55.300 0.120 0.000 1.076 164 M CB -0.677 31.969 32.600 0.076 0.000 1.504 164 M HN 0.339 nan 8.290 nan 0.000 0.524 165 E N 1.392 121.716 120.200 0.206 0.000 2.479 165 E HA 0.315 4.664 4.350 -0.001 0.000 0.193 165 E C 0.540 177.217 176.600 0.128 0.000 1.049 165 E CA 0.213 56.737 56.400 0.207 0.000 0.870 165 E CB 0.394 30.258 29.700 0.274 0.000 0.944 165 E HN 0.741 nan 8.360 nan 0.000 0.492 166 G N 1.489 110.349 108.800 0.100 0.000 2.692 166 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.686 166 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.686 166 G C 0.061 174.993 174.900 0.054 0.000 1.243 166 G CA -0.476 44.664 45.100 0.067 0.000 0.782 166 G HN 0.041 nan 8.290 nan 0.000 0.625 167 K N 0.106 120.530 120.400 0.039 0.000 2.283 167 K HA 0.025 4.344 4.320 -0.001 0.000 0.202 167 K C 2.549 179.164 176.600 0.024 0.000 1.048 167 K CA 1.419 57.724 56.287 0.029 0.000 0.948 167 K CB -0.038 32.476 32.500 0.023 0.000 0.742 167 K HN 0.373 nan 8.250 nan 0.000 0.458 168 V N 1.058 120.988 119.914 0.026 0.000 2.379 168 V HA -0.184 3.936 4.120 -0.001 0.000 0.245 168 V C 2.246 178.353 176.094 0.021 0.000 1.044 168 V CA 1.492 63.804 62.300 0.021 0.000 1.036 168 V CB -0.414 31.421 31.823 0.021 0.000 0.664 168 V HN 0.257 nan 8.190 nan 0.000 0.453 169 R N -0.820 119.699 120.500 0.031 0.000 2.073 169 R HA -0.119 4.221 4.340 -0.001 0.000 0.229 169 R C 2.287 178.599 176.300 0.020 0.000 1.120 169 R CA 1.775 57.895 56.100 0.033 0.000 0.967 169 R CB -0.345 29.991 30.300 0.060 0.000 0.862 169 R HN 0.408 nan 8.270 nan 0.000 0.436 170 M N 1.236 120.849 119.600 0.021 0.000 2.117 170 M HA -0.163 4.317 4.480 -0.001 0.000 0.262 170 M C 2.003 178.292 176.300 -0.018 0.000 1.065 170 M CA 1.764 57.065 55.300 0.001 0.000 1.114 170 M CB -0.111 32.495 32.600 0.011 0.000 1.361 170 M HN -0.144 nan 8.290 nan 0.000 0.408 171 K N -0.491 119.905 120.400 -0.007 0.000 2.097 171 K HA -0.164 4.155 4.320 -0.001 0.000 0.206 171 K C 1.687 178.275 176.600 -0.019 0.000 1.049 171 K CA 1.943 58.222 56.287 -0.012 0.000 0.933 171 K CB -0.261 32.239 32.500 0.000 0.000 0.717 171 K HN 0.587 nan 8.250 nan 0.000 0.442 172 N N -0.156 118.537 118.700 -0.011 0.000 2.188 172 N HA -0.132 4.608 4.740 -0.001 0.000 0.184 172 N C 1.755 177.248 175.510 -0.028 0.000 1.018 172 N CA 0.793 53.836 53.050 -0.012 0.000 0.858 172 N CB -0.078 38.408 38.487 -0.002 0.000 0.989 172 N HN 0.235 nan 8.380 nan 0.000 0.426 173 A N 1.317 124.115 122.820 -0.036 0.000 1.877 173 A HA -0.140 4.179 4.320 -0.001 0.000 0.216 173 A C 2.116 179.635 177.584 -0.110 0.000 1.186 173 A CA 1.232 53.233 52.037 -0.061 0.000 0.620 173 A CB -0.334 18.630 19.000 -0.060 0.000 0.822 173 A HN 0.141 nan 8.150 nan 0.000 0.443 174 M N -0.213 119.311 119.600 -0.127 0.000 2.159 174 M HA -0.127 4.352 4.480 -0.001 0.000 0.263 174 M C 1.869 178.072 176.300 -0.162 0.000 1.063 174 M CA 1.395 56.571 55.300 -0.206 0.000 1.110 174 M CB -1.490 31.015 32.600 -0.159 0.000 1.374 174 M HN 0.538 nan 8.290 nan 0.000 0.411 175 E N -0.347 119.805 120.200 -0.079 0.000 2.106 175 E HA -0.085 4.265 4.350 -0.001 0.000 0.192 175 E C 2.143 178.722 176.600 -0.034 0.000 0.984 175 E CA 1.042 57.419 56.400 -0.038 0.000 0.806 175 E CB -0.264 29.428 29.700 -0.014 0.000 0.750 175 E HN 0.604 nan 8.360 nan 0.000 0.458 176 G N 1.512 110.286 108.800 -0.044 0.000 2.402 176 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.216 176 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.216 176 G C 1.557 176.434 174.900 -0.037 0.000 1.162 176 G CA 0.329 45.413 45.100 -0.026 0.000 0.777 176 G HN 0.122 nan 8.290 nan 0.000 0.539 177 L N 0.584 121.744 121.223 -0.105 0.000 2.127 177 L HA -0.001 4.338 4.340 -0.001 0.000 0.211 177 L C 2.597 179.430 176.870 -0.062 0.000 1.089 177 L CA 2.239 56.990 54.840 -0.148 0.000 0.757 177 L CB -0.344 41.484 42.059 -0.386 0.000 0.899 177 L HN 0.309 nan 8.230 nan 0.000 0.434 178 E N -0.469 119.704 120.200 -0.046 0.000 2.072 178 E HA -0.171 4.179 4.350 -0.001 0.000 0.190 178 E C 2.364 179.001 176.600 0.062 0.000 0.982 178 E CA 1.281 57.728 56.400 0.077 0.000 0.803 178 E CB -0.074 29.668 29.700 0.070 0.000 0.755 178 E HN 0.363 nan 8.360 nan 0.000 0.453 179 R N -0.443 120.082 120.500 0.042 0.000 2.092 179 R HA -0.074 4.265 4.340 -0.001 0.000 0.231 179 R C 2.230 178.583 176.300 0.088 0.000 1.119 179 R CA 0.975 57.111 56.100 0.060 0.000 0.970 179 R CB -0.330 30.017 30.300 0.079 0.000 0.864 179 R HN 0.204 nan 8.270 nan 0.000 0.440 180 L N 1.589 122.861 121.223 0.081 0.000 2.056 180 L HA -0.144 4.196 4.340 -0.001 0.000 0.207 180 L C 2.054 178.969 176.870 0.075 0.000 1.078 180 L CA 1.818 56.716 54.840 0.096 0.000 0.749 180 L CB -0.420 41.673 42.059 0.058 0.000 0.901 180 L HN -0.050 nan 8.230 nan 0.000 0.433 181 K N -1.040 119.402 120.400 0.071 0.000 2.360 181 K HA -0.195 4.124 4.320 -0.001 0.000 0.201 181 K C 1.945 178.535 176.600 -0.016 0.000 1.046 181 K CA 1.201 57.526 56.287 0.063 0.000 0.945 181 K CB 0.037 32.619 32.500 0.136 0.000 0.750 181 K HN 0.527 nan 8.250 nan 0.000 0.464 182 Q N -1.077 118.666 119.800 -0.095 0.000 2.230 182 Q HA -0.102 4.237 4.340 -0.001 0.000 0.202 182 Q C 0.911 176.666 176.000 -0.409 0.000 0.963 182 Q CA 0.876 56.506 55.803 -0.287 0.000 0.866 182 Q CB 0.231 28.686 28.738 -0.472 0.000 0.931 182 Q HN 0.492 nan 8.270 nan 0.000 0.452 183 H N -0.708 118.370 119.070 0.014 0.000 2.755 183 H HA 0.163 4.718 4.556 -0.001 0.000 0.273 183 H C 0.298 175.625 175.328 -0.001 0.000 1.055 183 H CA 0.445 56.496 56.048 0.006 0.000 1.191 183 H CB 0.654 30.419 29.762 0.006 0.000 1.536 183 H HN 0.146 nan 8.280 nan 0.000 0.529 184 T N -1.425 113.172 114.554 0.072 0.000 2.929 184 T HA 0.199 4.549 4.350 -0.001 0.000 0.284 184 T C 0.723 175.426 174.700 0.005 0.000 1.014 184 T CA -0.773 61.348 62.100 0.036 0.000 1.051 184 T CB 2.403 71.290 68.868 0.032 0.000 1.028 184 T HN -0.121 nan 8.240 nan 0.000 0.485 185 D N 0.628 121.018 120.400 -0.016 0.000 2.183 185 D HA 0.079 4.718 4.640 -0.001 0.000 0.205 185 D C 0.752 177.033 176.300 -0.031 0.000 0.962 185 D CA 1.181 55.163 54.000 -0.030 0.000 0.849 185 D CB 0.335 41.106 40.800 -0.048 0.000 0.978 185 D HN 0.701 nan 8.370 nan 0.000 0.488 186 T N 0.105 114.639 114.554 -0.035 0.000 3.071 186 T HA 0.417 4.766 4.350 -0.001 0.000 0.311 186 T C -1.905 172.792 174.700 -0.004 0.000 1.042 186 T CA -0.796 61.292 62.100 -0.021 0.000 1.028 186 T CB 0.950 69.800 68.868 -0.031 0.000 1.068 186 T HN -0.115 nan 8.240 nan 0.000 0.451 187 L N 6.859 128.097 121.223 0.025 0.000 2.276 187 L HA 0.745 5.084 4.340 -0.001 0.000 0.286 187 L C -1.035 175.870 176.870 0.059 0.000 1.024 187 L CA -0.401 54.467 54.840 0.048 0.000 0.826 187 L CB 1.107 43.212 42.059 0.076 0.000 1.211 187 L HN 0.504 nan 8.230 nan 0.000 0.422 188 V N 6.060 126.008 119.914 0.057 0.000 2.407 188 V HA 0.480 4.599 4.120 -0.001 0.000 0.278 188 V C -0.102 176.023 176.094 0.052 0.000 1.037 188 V CA -0.562 61.774 62.300 0.060 0.000 0.900 188 V CB 1.460 33.326 31.823 0.072 0.000 0.983 188 V HN 0.525 nan 8.190 nan 0.000 0.459 189 V N 6.570 126.514 119.914 0.050 0.000 2.495 189 V HA 0.523 4.642 4.120 -0.001 0.000 0.298 189 V C -0.220 175.880 176.094 0.010 0.000 1.031 189 V CA -0.462 61.854 62.300 0.027 0.000 0.871 189 V CB 1.854 33.701 31.823 0.039 0.000 0.988 189 V HN 0.685 nan 8.190 nan 0.000 0.432 190 I N 6.485 127.044 120.570 -0.018 0.000 2.354 190 I HA 0.375 4.544 4.170 -0.001 0.000 0.286 190 I C -2.590 173.480 176.117 -0.077 0.000 1.007 190 I CA -2.031 59.246 61.300 -0.038 0.000 1.167 190 I CB 2.282 40.255 38.000 -0.045 0.000 1.320 190 I HN 0.411 nan 8.210 nan 0.000 0.458 191 P HA 0.229 nan 4.420 nan 0.000 0.279 191 P C 0.012 177.221 177.300 -0.153 0.000 1.318 191 P CA -0.108 62.938 63.100 -0.089 0.000 0.819 191 P CB 0.343 32.022 31.700 -0.034 0.000 0.927 192 N N 1.995 120.513 118.700 -0.304 0.000 2.289 192 N HA -0.206 4.534 4.740 -0.001 0.000 0.184 192 N C 1.505 176.826 175.510 -0.314 0.000 1.016 192 N CA 0.453 53.169 53.050 -0.557 0.000 0.872 192 N CB 0.027 37.718 38.487 -1.326 0.000 0.973 192 N HN 0.422 nan 8.380 nan 0.000 0.433 193 E N 1.604 121.759 120.200 -0.075 0.000 2.204 193 E HA -0.129 4.220 4.350 -0.001 0.000 0.195 193 E C 1.134 177.872 176.600 0.230 0.000 0.990 193 E CA 1.160 57.701 56.400 0.235 0.000 0.821 193 E CB 0.149 29.961 29.700 0.187 0.000 0.750 193 E HN 0.094 nan 8.360 nan 0.000 0.477 194 K N -0.097 120.354 120.400 0.086 0.000 2.486 194 K HA -0.014 4.306 4.320 -0.001 0.000 0.194 194 K C 1.403 178.033 176.600 0.051 0.000 1.033 194 K CA 0.109 56.445 56.287 0.082 0.000 1.004 194 K CB -0.071 32.451 32.500 0.037 0.000 0.798 194 K HN 0.182 nan 8.250 nan 0.000 0.495 195 L N -0.051 121.162 121.223 -0.016 0.000 2.450 195 L HA -0.046 4.293 4.340 -0.001 0.000 0.224 195 L C 1.439 178.220 176.870 -0.149 0.000 1.149 195 L CA 1.183 55.963 54.840 -0.101 0.000 0.816 195 L CB -0.673 41.302 42.059 -0.140 0.000 0.932 195 L HN 0.008 nan 8.230 nan 0.000 0.449 196 F N -0.681 119.307 119.950 0.064 0.000 2.615 196 F HA 0.009 4.535 4.527 -0.001 0.000 0.297 196 F C 2.142 177.952 175.800 0.016 0.000 1.124 196 F CA 0.456 58.473 58.000 0.029 0.000 1.451 196 F CB -0.167 38.848 39.000 0.025 0.000 1.103 196 F HN 0.191 nan 8.300 nan 0.000 0.569 197 E N -0.385 119.918 120.200 0.172 0.000 2.479 197 E HA 0.074 4.423 4.350 -0.001 0.000 0.193 197 E C 1.887 178.526 176.600 0.064 0.000 1.049 197 E CA 0.290 56.753 56.400 0.105 0.000 0.870 197 E CB 0.218 29.966 29.700 0.081 0.000 0.944 197 E HN 0.429 nan 8.360 nan 0.000 0.492 198 I N -0.236 120.363 120.570 0.048 0.000 3.172 198 I HA 0.014 4.183 4.170 -0.001 0.000 0.278 198 I C 0.713 176.843 176.117 0.021 0.000 1.174 198 I CA 0.311 61.624 61.300 0.022 0.000 1.445 198 I CB 1.122 39.122 38.000 0.000 0.000 1.175 198 I HN -0.135 nan 8.210 nan 0.000 0.447 199 V N 2.664 122.592 119.914 0.025 0.000 2.465 199 V HA 0.326 4.445 4.120 -0.001 0.000 0.263 199 V C -2.091 174.056 176.094 0.089 0.000 0.981 199 V CA -1.856 60.461 62.300 0.028 0.000 0.838 199 V CB 0.771 32.587 31.823 -0.012 0.000 1.068 199 V HN -0.064 nan 8.190 nan 0.000 0.458 200 P HA -0.164 nan 4.420 nan 0.000 0.221 200 P C -0.029 177.386 177.300 0.193 0.000 1.082 200 P CA 1.037 64.231 63.100 0.157 0.000 0.951 200 P CB 0.023 31.770 31.700 0.077 0.000 0.583 201 N N 0.035 118.792 118.700 0.094 0.000 2.309 201 N HA 0.032 4.771 4.740 -0.001 0.000 0.293 201 N C 0.018 175.585 175.510 0.096 0.000 1.327 201 N CA 0.891 53.980 53.050 0.066 0.000 1.054 201 N CB -1.085 37.418 38.487 0.026 0.000 1.474 201 N HN 0.231 nan 8.380 nan 0.000 0.486 202 M N 2.311 122.020 119.600 0.181 0.000 2.259 202 M HA 0.472 4.952 4.480 -0.001 0.000 0.304 202 M C -2.664 173.711 176.300 0.126 0.000 1.019 202 M CA -2.035 53.349 55.300 0.140 0.000 0.922 202 M CB 1.776 34.433 32.600 0.095 0.000 1.600 202 M HN 0.097 nan 8.290 nan 0.000 0.433 203 P HA -0.038 nan 4.420 nan 0.000 0.268 203 P C 0.674 177.969 177.300 -0.010 0.000 1.208 203 P CA -0.506 62.607 63.100 0.022 0.000 0.777 203 P CB 0.541 32.251 31.700 0.016 0.000 0.875 204 L N 2.834 124.056 121.223 -0.003 0.000 2.012 204 L HA -0.184 4.156 4.340 -0.001 0.000 0.210 204 L C 1.793 178.708 176.870 0.076 0.000 1.073 204 L CA 2.141 56.971 54.840 -0.017 0.000 0.748 204 L CB -0.929 41.171 42.059 0.068 0.000 0.891 204 L HN 0.429 nan 8.230 nan 0.000 0.431 205 K N 0.206 120.665 120.400 0.099 0.000 2.280 205 K HA -0.210 4.109 4.320 -0.001 0.000 0.202 205 K C 2.098 178.760 176.600 0.103 0.000 1.047 205 K CA 1.341 57.706 56.287 0.130 0.000 0.942 205 K CB -0.257 32.285 32.500 0.069 0.000 0.739 205 K HN 0.395 nan 8.250 nan 0.000 0.457 206 L N 0.584 121.822 121.223 0.025 0.000 2.202 206 L HA 0.149 4.488 4.340 -0.001 0.000 0.205 206 L C 2.366 179.188 176.870 -0.079 0.000 1.083 206 L CA 1.297 56.131 54.840 -0.010 0.000 0.790 206 L CB -0.404 41.642 42.059 -0.022 0.000 0.942 206 L HN 0.164 nan 8.230 nan 0.000 0.452 207 A N -0.676 121.994 122.820 -0.249 0.000 1.940 207 A HA -0.233 4.086 4.320 -0.001 0.000 0.219 207 A C 2.034 179.473 177.584 -0.242 0.000 1.176 207 A CA 1.972 53.703 52.037 -0.510 0.000 0.631 207 A CB -0.976 17.268 19.000 -1.259 0.000 0.814 207 A HN 0.415 nan 8.150 nan 0.000 0.446 208 F N 0.086 120.049 119.950 0.023 0.000 2.206 208 F HA -0.056 4.470 4.527 -0.001 0.000 0.298 208 F C 2.357 178.209 175.800 0.086 0.000 1.090 208 F CA 1.310 59.410 58.000 0.167 0.000 1.323 208 F CB -0.105 38.965 39.000 0.118 0.000 1.028 208 F HN 0.029 nan 8.300 nan 0.000 0.492 209 K N 0.376 120.890 120.400 0.189 0.000 2.026 209 K HA -0.108 4.211 4.320 -0.001 0.000 0.208 209 K C 2.236 178.875 176.600 0.065 0.000 1.048 209 K CA 1.270 57.620 56.287 0.106 0.000 0.929 209 K CB -0.979 31.559 32.500 0.064 0.000 0.713 209 K HN 0.151 nan 8.250 nan 0.000 0.439 210 V N 1.565 121.497 119.914 0.030 0.000 2.407 210 V HA -0.231 3.889 4.120 -0.001 0.000 0.248 210 V C 2.492 178.594 176.094 0.014 0.000 1.055 210 V CA 1.889 64.189 62.300 0.000 0.000 1.049 210 V CB -0.819 30.973 31.823 -0.052 0.000 0.662 210 V HN 0.288 nan 8.190 nan 0.000 0.455 211 A N -0.119 122.735 122.820 0.056 0.000 1.902 211 A HA -0.250 4.069 4.320 -0.001 0.000 0.217 211 A C 2.011 179.614 177.584 0.031 0.000 1.181 211 A CA 2.012 54.065 52.037 0.027 0.000 0.623 211 A CB -0.620 18.407 19.000 0.046 0.000 0.818 211 A HN 0.511 nan 8.150 nan 0.000 0.443 212 D N -0.642 119.801 120.400 0.071 0.000 2.144 212 D HA -0.117 4.522 4.640 -0.001 0.000 0.199 212 D C 1.935 178.249 176.300 0.023 0.000 0.984 212 D CA 1.444 55.475 54.000 0.053 0.000 0.834 212 D CB -0.223 40.617 40.800 0.067 0.000 0.955 212 D HN 0.424 nan 8.370 nan 0.000 0.465 213 E N 0.120 120.331 120.200 0.018 0.000 2.077 213 E HA -0.101 4.248 4.350 -0.001 0.000 0.193 213 E C 2.147 178.743 176.600 -0.008 0.000 0.989 213 E CA 0.423 56.825 56.400 0.002 0.000 0.800 213 E CB -0.192 29.507 29.700 -0.000 0.000 0.746 213 E HN 0.070 nan 8.360 nan 0.000 0.452 214 V N 0.650 120.557 119.914 -0.012 0.000 2.358 214 V HA -0.194 3.926 4.120 -0.001 0.000 0.246 214 V C 2.469 178.553 176.094 -0.017 0.000 1.047 214 V CA 1.434 63.722 62.300 -0.020 0.000 1.035 214 V CB -0.466 31.339 31.823 -0.031 0.000 0.658 214 V HN 0.302 nan 8.190 nan 0.000 0.452 215 L N -0.508 120.707 121.223 -0.013 0.000 2.017 215 L HA -0.198 4.141 4.340 -0.001 0.000 0.208 215 L C 2.401 179.265 176.870 -0.009 0.000 1.073 215 L CA 1.935 56.770 54.840 -0.007 0.000 0.745 215 L CB -0.253 41.806 42.059 -0.000 0.000 0.894 215 L HN 0.271 nan 8.230 nan 0.000 0.432 216 I N -0.090 120.474 120.570 -0.010 0.000 2.151 216 I HA -0.383 3.787 4.170 -0.001 0.000 0.243 216 I C 2.259 178.358 176.117 -0.030 0.000 1.080 216 I CA 1.477 62.766 61.300 -0.018 0.000 1.339 216 I CB -0.483 37.509 38.000 -0.013 0.000 1.039 216 I HN 0.414 nan 8.210 nan 0.000 0.409 217 N N 0.713 119.396 118.700 -0.029 0.000 2.142 217 N HA -0.102 4.637 4.740 -0.001 0.000 0.186 217 N C 1.911 177.397 175.510 -0.041 0.000 1.023 217 N CA 1.477 54.503 53.050 -0.040 0.000 0.852 217 N CB -0.123 38.342 38.487 -0.037 0.000 0.998 217 N HN 0.345 nan 8.380 nan 0.000 0.424 218 A N 1.165 123.970 122.820 -0.024 0.000 1.841 218 A HA -0.107 4.212 4.320 -0.001 0.000 0.216 218 A C 2.555 180.133 177.584 -0.010 0.000 1.199 218 A CA 1.524 53.556 52.037 -0.007 0.000 0.621 218 A CB -1.038 17.967 19.000 0.008 0.000 0.835 218 A HN 0.082 nan 8.150 nan 0.000 0.445 219 V N 0.348 120.249 119.914 -0.023 0.000 2.287 219 V HA -0.314 3.805 4.120 -0.001 0.000 0.248 219 V C 2.596 178.603 176.094 -0.145 0.000 1.053 219 V CA 2.567 64.822 62.300 -0.076 0.000 1.027 219 V CB -0.709 31.072 31.823 -0.071 0.000 0.646 219 V HN 0.678 nan 8.190 nan 0.000 0.447 220 K N -0.072 120.268 120.400 -0.101 0.000 2.032 220 K HA -0.168 4.151 4.320 -0.001 0.000 0.209 220 K C 2.187 178.747 176.600 -0.068 0.000 1.048 220 K CA 1.680 57.910 56.287 -0.095 0.000 0.927 220 K CB -0.663 31.796 32.500 -0.068 0.000 0.712 220 K HN 0.512 nan 8.250 nan 0.000 0.441 221 G N 1.384 110.147 108.800 -0.062 0.000 2.446 221 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.217 221 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.217 221 G C 1.505 176.479 174.900 0.124 0.000 1.168 221 G CA 0.744 45.814 45.100 -0.050 0.000 0.771 221 G HN 0.235 nan 8.290 nan 0.000 0.551 222 L N 0.043 121.310 121.223 0.074 0.000 2.017 222 L HA -0.096 4.243 4.340 -0.001 0.000 0.208 222 L C 3.088 180.010 176.870 0.086 0.000 1.073 222 L CA 0.764 55.687 54.840 0.137 0.000 0.745 222 L CB -0.305 41.873 42.059 0.197 0.000 0.894 222 L HN 0.134 nan 8.230 nan 0.000 0.432 223 V N -0.230 119.588 119.914 -0.160 0.000 2.261 223 V HA -0.288 3.831 4.120 -0.001 0.000 0.246 223 V C 2.306 178.386 176.094 -0.023 0.000 1.047 223 V CA 1.907 64.064 62.300 -0.238 0.000 1.015 223 V CB -0.547 30.992 31.823 -0.474 0.000 0.642 223 V HN 0.482 nan 8.190 nan 0.000 0.446 224 E N -0.071 120.144 120.200 0.025 0.000 2.204 224 E HA -0.197 4.152 4.350 -0.001 0.000 0.194 224 E C 2.104 178.758 176.600 0.090 0.000 0.989 224 E CA 1.003 57.454 56.400 0.086 0.000 0.824 224 E CB -0.219 29.561 29.700 0.134 0.000 0.756 224 E HN 0.481 nan 8.360 nan 0.000 0.477 225 L N 0.831 122.127 121.223 0.121 0.000 2.187 225 L HA -0.146 4.193 4.340 -0.001 0.000 0.213 225 L C 1.826 178.645 176.870 -0.085 0.000 1.100 225 L CA 1.538 56.281 54.840 -0.160 0.000 0.765 225 L CB -0.009 42.067 42.059 0.027 0.000 0.904 225 L HN 0.054 nan 8.230 nan 0.000 0.437 226 I N -1.686 118.904 120.570 0.033 0.000 3.081 226 I HA -0.056 4.113 4.170 -0.001 0.000 0.274 226 I C 1.988 178.136 176.117 0.051 0.000 1.178 226 I CA 1.032 62.378 61.300 0.077 0.000 1.460 226 I CB -0.231 37.888 38.000 0.198 0.000 1.137 226 I HN 0.390 nan 8.210 nan 0.000 0.443 227 T N -1.996 112.578 114.554 0.033 0.000 3.015 227 T HA 0.064 4.413 4.350 -0.001 0.000 0.250 227 T C 0.883 175.582 174.700 -0.002 0.000 1.057 227 T CA -0.149 61.958 62.100 0.012 0.000 1.066 227 T CB 0.066 68.939 68.868 0.008 0.000 0.959 227 T HN 0.002 nan 8.240 nan 0.000 0.488 228 K N 2.099 122.499 120.400 -0.001 0.000 2.234 228 K HA 0.168 4.487 4.320 -0.001 0.000 0.282 228 K C -0.957 175.631 176.600 -0.020 0.000 1.039 228 K CA -0.599 55.688 56.287 0.001 0.000 0.928 228 K CB 0.459 32.980 32.500 0.036 0.000 1.039 228 K HN 0.061 nan 8.250 nan 0.000 0.470 229 D N 2.882 123.274 120.400 -0.014 0.000 2.450 229 D HA 0.080 4.719 4.640 -0.001 0.000 0.247 229 D C 0.166 176.452 176.300 -0.024 0.000 1.162 229 D CA 0.629 54.616 54.000 -0.022 0.000 0.879 229 D CB 1.342 42.135 40.800 -0.012 0.000 1.163 229 D HN 0.748 nan 8.370 nan 0.000 0.472 230 G N 0.777 109.549 108.800 -0.047 0.000 3.211 230 G HA2 0.388 4.347 3.960 -0.001 0.000 0.262 230 G HA3 0.388 4.347 3.960 -0.001 0.000 0.262 230 G C 0.892 175.767 174.900 -0.042 0.000 1.352 230 G CA -0.660 44.414 45.100 -0.044 0.000 1.004 230 G HN 0.415 nan 8.290 nan 0.000 0.559 231 L N -0.554 120.652 121.223 -0.029 0.000 2.478 231 L HA 0.383 4.722 4.340 -0.001 0.000 0.223 231 L C 0.792 177.628 176.870 -0.057 0.000 1.140 231 L CA 0.762 55.592 54.840 -0.016 0.000 0.842 231 L CB -0.290 41.787 42.059 0.030 0.000 0.953 231 L HN 0.252 nan 8.230 nan 0.000 0.452 232 I N 0.070 120.560 120.570 -0.134 0.000 2.827 232 I HA 0.191 4.360 4.170 -0.001 0.000 0.298 232 I C -1.057 174.906 176.117 -0.257 0.000 1.235 232 I CA -0.813 60.354 61.300 -0.222 0.000 1.021 232 I CB 2.129 39.885 38.000 -0.408 0.000 1.259 232 I HN 0.074 nan 8.210 nan 0.000 0.427 233 N N 6.619 125.187 118.700 -0.221 0.000 2.520 233 N HA 0.131 4.870 4.740 -0.001 0.000 0.273 233 N C -1.007 174.362 175.510 -0.236 0.000 1.155 233 N CA -0.398 52.541 53.050 -0.185 0.000 0.967 233 N CB 2.283 40.702 38.487 -0.114 0.000 1.092 233 N HN 0.352 nan 8.380 nan 0.000 0.457 234 V N 2.032 121.837 119.914 -0.181 0.000 2.313 234 V HA 0.191 4.310 4.120 -0.001 0.000 0.278 234 V C -1.020 175.038 176.094 -0.060 0.000 1.017 234 V CA -0.806 61.397 62.300 -0.161 0.000 0.823 234 V CB 0.575 32.304 31.823 -0.156 0.000 1.010 234 V HN 0.628 nan 8.190 nan 0.000 0.443 235 D N 5.536 125.907 120.400 -0.050 0.000 2.277 235 D HA 0.126 4.766 4.640 -0.001 0.000 0.249 235 D C 0.560 176.894 176.300 0.057 0.000 1.134 235 D CA -0.096 53.912 54.000 0.015 0.000 0.863 235 D CB 1.584 42.380 40.800 -0.007 0.000 1.143 235 D HN 0.587 nan 8.370 nan 0.000 0.458 236 F N 2.546 122.483 119.950 -0.023 0.000 2.250 236 F HA -0.200 4.326 4.527 -0.001 0.000 0.301 236 F C 2.085 177.881 175.800 -0.007 0.000 1.077 236 F CA 1.283 59.279 58.000 -0.007 0.000 1.348 236 F CB 0.043 39.044 39.000 0.001 0.000 1.040 236 F HN 0.459 nan 8.300 nan 0.000 0.509 237 A N -0.617 122.193 122.820 -0.016 0.000 2.067 237 A HA -0.143 4.176 4.320 -0.001 0.000 0.219 237 A C 1.961 179.465 177.584 -0.133 0.000 1.158 237 A CA 1.802 53.789 52.037 -0.083 0.000 0.661 237 A CB -0.638 18.359 19.000 -0.005 0.000 0.801 237 A HN 0.388 nan 8.150 nan 0.000 0.452 238 D N -0.478 119.853 120.400 -0.114 0.000 2.162 238 D HA -0.034 4.605 4.640 -0.001 0.000 0.205 238 D C 2.133 178.348 176.300 -0.141 0.000 0.964 238 D CA 1.142 55.085 54.000 -0.096 0.000 0.847 238 D CB -0.328 40.438 40.800 -0.057 0.000 0.988 238 D HN 0.179 nan 8.370 nan 0.000 0.480 239 V N 1.438 121.233 119.914 -0.197 0.000 2.282 239 V HA -0.256 3.863 4.120 -0.001 0.000 0.249 239 V C 2.469 178.370 176.094 -0.321 0.000 1.057 239 V CA 1.607 63.771 62.300 -0.227 0.000 1.032 239 V CB -0.393 31.279 31.823 -0.251 0.000 0.645 239 V HN 0.153 nan 8.190 nan 0.000 0.447 240 K N -0.386 119.707 120.400 -0.511 0.000 2.152 240 K HA -0.167 4.153 4.320 -0.001 0.000 0.206 240 K C 2.168 178.641 176.600 -0.213 0.000 1.048 240 K CA 1.421 57.454 56.287 -0.424 0.000 0.933 240 K CB -0.248 31.979 32.500 -0.454 0.000 0.721 240 K HN 0.496 nan 8.250 nan 0.000 0.447 241 A N 0.112 122.832 122.820 -0.167 0.000 1.897 241 A HA -0.060 4.259 4.320 -0.001 0.000 0.215 241 A C 2.090 179.629 177.584 -0.075 0.000 1.181 241 A CA 1.136 53.115 52.037 -0.097 0.000 0.620 241 A CB -0.157 18.799 19.000 -0.072 0.000 0.821 241 A HN 0.125 nan 8.150 nan 0.000 0.443 242 V N -0.271 119.597 119.914 -0.076 0.000 2.649 242 V HA -0.122 3.997 4.120 -0.001 0.000 0.248 242 V C 2.440 178.504 176.094 -0.051 0.000 1.054 242 V CA 1.417 63.690 62.300 -0.046 0.000 1.073 242 V CB -0.494 31.315 31.823 -0.023 0.000 0.699 242 V HN 0.459 nan 8.190 nan 0.000 0.463 243 M N -0.246 119.306 119.600 -0.080 0.000 2.388 243 M HA 0.004 4.483 4.480 -0.001 0.000 0.265 243 M C 1.997 178.250 176.300 -0.079 0.000 1.088 243 M CA 0.892 56.144 55.300 -0.080 0.000 1.134 243 M CB -1.301 31.230 32.600 -0.114 0.000 1.384 243 M HN 0.359 nan 8.290 nan 0.000 0.447 244 N N 1.875 120.524 118.700 -0.086 0.000 2.094 244 N HA -0.158 4.581 4.740 -0.001 0.000 0.191 244 N C 0.375 175.857 175.510 -0.047 0.000 1.023 244 N CA 1.316 54.325 53.050 -0.068 0.000 0.857 244 N CB -0.082 38.363 38.487 -0.070 0.000 1.013 244 N HN 0.505 nan 8.380 nan 0.000 0.426 245 N N -1.218 117.457 118.700 -0.041 0.000 2.197 245 N HA 0.168 4.907 4.740 -0.001 0.000 0.228 245 N C 0.077 175.570 175.510 -0.028 0.000 1.212 245 N CA -0.196 52.835 53.050 -0.032 0.000 0.883 245 N CB 1.103 39.572 38.487 -0.029 0.000 1.107 245 N HN -0.022 nan 8.380 nan 0.000 0.519 246 G N 0.268 109.052 108.800 -0.027 0.000 2.367 246 G HA2 0.329 4.288 3.960 -0.001 0.000 0.282 246 G HA3 0.329 4.288 3.960 -0.001 0.000 0.282 246 G C 0.974 175.865 174.900 -0.015 0.000 1.140 246 G CA -0.135 44.954 45.100 -0.018 0.000 1.088 246 G HN 0.217 nan 8.290 nan 0.000 0.431 247 G N 2.450 111.240 108.800 -0.017 0.000 2.630 247 G HA2 0.067 4.026 3.960 -0.001 0.000 0.195 247 G HA3 0.067 4.026 3.960 -0.001 0.000 0.195 247 G C 0.436 175.338 174.900 0.003 0.000 1.493 247 G CA -0.042 45.047 45.100 -0.017 0.000 0.890 247 G HN 0.556 nan 8.290 nan 0.000 0.475 248 L N 1.015 122.238 121.223 0.000 0.000 2.334 248 L HA 0.688 5.027 4.340 -0.001 0.000 0.277 248 L C 0.052 176.941 176.870 0.033 0.000 1.075 248 L CA -0.330 54.534 54.840 0.039 0.000 0.804 248 L CB 0.793 42.872 42.059 0.033 0.000 1.174 248 L HN 0.507 nan 8.230 nan 0.000 0.438 249 A N 6.068 128.918 122.820 0.050 0.000 2.515 249 A HA 0.867 5.186 4.320 -0.001 0.000 0.296 249 A C -0.948 176.665 177.584 0.049 0.000 1.094 249 A CA -0.660 51.402 52.037 0.042 0.000 0.718 249 A CB 1.977 21.001 19.000 0.039 0.000 1.307 249 A HN 0.753 nan 8.150 nan 0.000 0.408 250 M N 1.381 121.006 119.600 0.042 0.000 2.593 250 M HA 0.549 5.028 4.480 -0.001 0.000 0.290 250 M C -0.699 175.622 176.300 0.036 0.000 1.244 250 M CA -0.527 54.796 55.300 0.039 0.000 0.857 250 M CB 2.236 34.857 32.600 0.035 0.000 1.738 250 M HN 0.799 nan 8.290 nan 0.000 0.461 251 I N -1.399 119.189 120.570 0.030 0.000 2.863 251 I HA 1.048 5.218 4.170 -0.001 0.000 0.311 251 I C -0.414 175.715 176.117 0.020 0.000 1.026 251 I CA -0.673 60.644 61.300 0.029 0.000 1.077 251 I CB 2.328 40.345 38.000 0.029 0.000 1.262 251 I HN 0.668 nan 8.210 nan 0.000 0.461 252 G N 4.896 113.708 108.800 0.020 0.000 2.739 252 G HA2 0.668 4.627 3.960 -0.001 0.000 0.291 252 G HA3 0.668 4.627 3.960 -0.001 0.000 0.291 252 G C -1.262 173.645 174.900 0.012 0.000 1.478 252 G CA -0.563 44.545 45.100 0.014 0.000 1.062 252 G HN 0.622 nan 8.290 nan 0.000 0.532 253 I N 1.500 122.072 120.570 0.004 0.000 2.474 253 I HA 0.810 4.979 4.170 -0.001 0.000 0.294 253 I C 0.479 176.595 176.117 -0.002 0.000 1.005 253 I CA -0.838 60.461 61.300 -0.001 0.000 1.113 253 I CB 2.523 40.517 38.000 -0.010 0.000 1.289 253 I HN 0.642 nan 8.210 nan 0.000 0.436 254 G N 4.162 112.961 108.800 -0.002 0.000 2.698 254 G HA2 0.713 4.673 3.960 -0.001 0.000 0.293 254 G HA3 0.713 4.673 3.960 -0.001 0.000 0.293 254 G C -1.802 173.097 174.900 -0.002 0.000 1.437 254 G CA -0.471 44.629 45.100 -0.001 0.000 0.852 254 G HN 0.707 nan 8.290 nan 0.000 0.499 255 E N -1.276 118.923 120.200 -0.002 0.000 2.430 255 E HA 0.765 5.114 4.350 -0.001 0.000 0.279 255 E C -1.386 175.214 176.600 0.001 0.000 1.003 255 E CA -1.085 55.315 56.400 -0.001 0.000 0.801 255 E CB 2.060 31.757 29.700 -0.005 0.000 1.313 255 E HN 0.690 nan 8.360 nan 0.000 0.459 256 S N -0.465 115.237 115.700 0.002 0.000 2.552 256 S HA 0.344 4.813 4.470 -0.001 0.000 0.272 256 S C -1.760 172.842 174.600 0.004 0.000 1.150 256 S CA -0.014 58.187 58.200 0.003 0.000 0.849 256 S CB 1.467 64.669 63.200 0.003 0.000 1.113 256 S HN 0.790 nan 8.310 nan 0.000 0.458 257 D N 0.677 121.079 120.400 0.004 0.000 2.556 257 D HA 0.229 4.868 4.640 -0.001 0.000 0.237 257 D C 0.737 177.040 176.300 0.004 0.000 1.296 257 D CA 0.245 54.247 54.000 0.005 0.000 0.807 257 D CB 0.241 41.043 40.800 0.004 0.000 1.084 257 D HN 0.458 nan 8.370 nan 0.000 0.510 258 S N -0.198 115.504 115.700 0.004 0.000 2.587 258 S HA 0.080 4.549 4.470 -0.001 0.000 0.252 258 S C 1.116 175.718 174.600 0.004 0.000 1.282 258 S CA -0.452 57.750 58.200 0.003 0.000 0.977 258 S CB 0.338 63.539 63.200 0.003 0.000 1.015 258 S HN 0.115 nan 8.310 nan 0.000 0.557 259 E N 0.219 120.421 120.200 0.003 0.000 2.502 259 E HA 0.074 4.424 4.350 -0.001 0.000 0.194 259 E C -0.029 176.572 176.600 0.003 0.000 1.062 259 E CA 0.385 56.787 56.400 0.003 0.000 0.867 259 E CB 0.029 29.731 29.700 0.003 0.000 0.888 259 E HN 0.464 nan 8.360 nan 0.000 0.510 260 K N 0.519 120.921 120.400 0.002 0.000 3.271 260 K HA 0.252 4.571 4.320 -0.001 0.000 0.192 260 K C 0.617 177.218 176.600 0.002 0.000 1.108 260 K CA -0.180 56.108 56.287 0.001 0.000 0.902 260 K CB 0.737 33.236 32.500 -0.001 0.000 0.889 260 K HN -0.048 nan 8.250 nan 0.000 0.520 261 R N 0.724 121.227 120.500 0.005 0.000 2.179 261 R HA -0.281 4.059 4.340 -0.001 0.000 0.238 261 R C 2.185 178.488 176.300 0.006 0.000 1.119 261 R CA 2.177 58.281 56.100 0.006 0.000 0.915 261 R CB -0.735 29.571 30.300 0.010 0.000 0.870 261 R HN 0.339 nan 8.270 nan 0.000 0.432 262 A N 1.720 124.544 122.820 0.007 0.000 1.881 262 A HA -0.331 3.989 4.320 -0.001 0.000 0.219 262 A C 2.194 179.776 177.584 -0.003 0.000 1.215 262 A CA 2.293 54.333 52.037 0.005 0.000 0.648 262 A CB -0.604 18.397 19.000 0.002 0.000 0.832 262 A HN 0.266 nan 8.150 nan 0.000 0.455 263 K N 0.077 120.473 120.400 -0.006 0.000 2.032 263 K HA -0.148 4.171 4.320 -0.001 0.000 0.209 263 K C 1.852 178.448 176.600 -0.006 0.000 1.048 263 K CA 2.205 58.486 56.287 -0.010 0.000 0.927 263 K CB -0.450 32.044 32.500 -0.010 0.000 0.712 263 K HN 0.628 nan 8.250 nan 0.000 0.441 264 E N -0.687 119.511 120.200 -0.003 0.000 2.268 264 E HA -0.093 4.256 4.350 -0.001 0.000 0.195 264 E C 1.734 178.334 176.600 0.000 0.000 0.995 264 E CA 0.785 57.184 56.400 -0.001 0.000 0.836 264 E CB -0.032 29.668 29.700 0.000 0.000 0.763 264 E HN 0.461 nan 8.360 nan 0.000 0.491 265 A N 0.841 123.662 122.820 0.001 0.000 1.970 265 A HA -0.084 4.235 4.320 -0.001 0.000 0.216 265 A C 2.437 180.023 177.584 0.003 0.000 1.170 265 A CA 0.749 52.788 52.037 0.003 0.000 0.645 265 A CB -0.282 18.722 19.000 0.007 0.000 0.816 265 A HN 0.128 nan 8.150 nan 0.000 0.447 266 V N -0.649 119.264 119.914 -0.000 0.000 2.427 266 V HA -0.173 3.947 4.120 -0.001 0.000 0.248 266 V C 2.538 178.630 176.094 -0.003 0.000 1.051 266 V CA 2.069 64.368 62.300 -0.003 0.000 1.048 266 V CB -1.223 30.592 31.823 -0.013 0.000 0.666 266 V HN 0.443 nan 8.190 nan 0.000 0.456 267 S N 0.063 115.761 115.700 -0.003 0.000 2.353 267 S HA -0.212 4.258 4.470 -0.001 0.000 0.222 267 S C 2.015 176.616 174.600 0.001 0.000 1.035 267 S CA 2.189 60.388 58.200 -0.002 0.000 1.025 267 S CB -0.424 62.775 63.200 -0.002 0.000 0.902 267 S HN 0.466 nan 8.310 nan 0.000 0.440 268 M N 0.966 120.567 119.600 0.002 0.000 2.065 268 M HA -0.195 4.284 4.480 -0.001 0.000 0.259 268 M C 2.525 178.828 176.300 0.004 0.000 1.069 268 M CA 1.700 57.002 55.300 0.003 0.000 1.110 268 M CB -0.682 31.919 32.600 0.002 0.000 1.328 268 M HN 0.433 nan 8.290 nan 0.000 0.405 269 A N 0.342 123.164 122.820 0.004 0.000 1.892 269 A HA -0.197 4.122 4.320 -0.001 0.000 0.218 269 A C 2.033 179.621 177.584 0.008 0.000 1.188 269 A CA 1.670 53.711 52.037 0.007 0.000 0.631 269 A CB -1.064 17.943 19.000 0.010 0.000 0.822 269 A HN 0.507 nan 8.150 nan 0.000 0.447 270 L N -1.092 120.134 121.223 0.005 0.000 2.217 270 L HA -0.122 4.217 4.340 -0.001 0.000 0.211 270 L C 1.355 178.228 176.870 0.005 0.000 1.107 270 L CA 1.280 56.122 54.840 0.004 0.000 0.783 270 L CB -0.388 41.671 42.059 0.000 0.000 0.919 270 L HN 0.483 nan 8.230 nan 0.000 0.442 271 N N -1.232 117.471 118.700 0.005 0.000 2.276 271 N HA 0.006 4.745 4.740 -0.001 0.000 0.212 271 N C 0.225 175.740 175.510 0.009 0.000 1.127 271 N CA -0.280 52.775 53.050 0.007 0.000 0.834 271 N CB 0.493 38.983 38.487 0.006 0.000 1.014 271 N HN -0.005 nan 8.380 nan 0.000 0.491 272 S N 2.047 117.752 115.700 0.009 0.000 2.510 272 S HA 0.108 4.577 4.470 -0.001 0.000 0.279 272 S C -1.167 173.440 174.600 0.012 0.000 1.284 272 S CA -1.591 56.615 58.200 0.009 0.000 1.059 272 S CB 0.686 63.890 63.200 0.007 0.000 0.901 272 S HN 0.181 nan 8.310 nan 0.000 0.491 273 P HA -0.095 nan 4.420 nan 0.000 0.223 273 P C 1.079 178.389 177.300 0.016 0.000 1.144 273 P CA 0.599 63.711 63.100 0.020 0.000 0.783 273 P CB 0.109 31.826 31.700 0.028 0.000 0.771 274 L N -1.184 120.044 121.223 0.008 0.000 2.376 274 L HA 0.005 4.345 4.340 -0.001 0.000 0.219 274 L C 1.772 178.648 176.870 0.010 0.000 1.133 274 L CA 1.015 55.857 54.840 0.003 0.000 0.816 274 L CB -1.023 41.033 42.059 -0.004 0.000 0.933 274 L HN -0.022 nan 8.230 nan 0.000 0.449 275 L N 0.245 121.477 121.223 0.014 0.000 2.512 275 L HA 0.108 4.447 4.340 -0.001 0.000 0.247 275 L C -0.070 176.811 176.870 0.019 0.000 1.204 275 L CA -0.184 54.666 54.840 0.017 0.000 1.153 275 L CB -0.089 41.980 42.059 0.016 0.000 1.415 275 L HN 0.024 nan 8.230 nan 0.000 0.406 276 D N 1.635 122.049 120.400 0.022 0.000 2.801 276 D HA 0.257 4.896 4.640 -0.001 0.000 0.232 276 D C -0.673 175.643 176.300 0.027 0.000 1.128 276 D CA 0.335 54.350 54.000 0.025 0.000 1.003 276 D CB 0.281 41.099 40.800 0.029 0.000 1.110 276 D HN 0.076 nan 8.370 nan 0.000 0.477 277 V N 1.051 120.978 119.914 0.021 0.000 3.177 277 V HA 0.161 4.280 4.120 -0.001 0.000 0.287 277 V C -1.697 174.404 176.094 0.012 0.000 1.465 277 V CA -1.088 61.223 62.300 0.018 0.000 1.020 277 V CB 2.244 34.078 31.823 0.020 0.000 1.152 277 V HN 0.052 nan 8.190 nan 0.000 0.448 278 D N 3.855 124.260 120.400 0.007 0.000 2.358 278 D HA 0.254 4.893 4.640 -0.001 0.000 0.258 278 D C 1.004 177.305 176.300 0.002 0.000 1.223 278 D CA 0.275 54.278 54.000 0.004 0.000 0.886 278 D CB 1.053 41.853 40.800 0.001 0.000 1.120 278 D HN 0.659 nan 8.370 nan 0.000 0.482 279 I N 0.000 120.572 120.570 0.003 0.000 3.956 279 I HA 0.217 4.386 4.170 -0.001 0.000 0.333 279 I C 0.533 176.650 176.117 -0.001 0.000 1.302 279 I CA -0.319 60.982 61.300 0.002 0.000 1.122 279 I CB 0.271 38.274 38.000 0.005 0.000 1.013 279 I HN -0.033 nan 8.210 nan 0.000 0.405 280 D N 2.845 123.244 120.400 -0.003 0.000 2.387 280 D HA 0.076 4.716 4.640 -0.001 0.000 0.257 280 D C 1.421 177.717 176.300 -0.006 0.000 1.198 280 D CA 0.963 54.960 54.000 -0.005 0.000 0.945 280 D CB 0.193 40.990 40.800 -0.005 0.000 0.907 280 D HN 0.688 nan 8.370 nan 0.000 0.518 281 G N -1.273 107.524 108.800 -0.006 0.000 4.189 281 G HA2 0.272 4.232 3.960 -0.001 0.000 0.220 281 G HA3 0.272 4.232 3.960 -0.001 0.000 0.220 281 G C 0.414 175.310 174.900 -0.007 0.000 1.071 281 G CA 0.201 45.297 45.100 -0.007 0.000 0.854 281 G HN 0.340 nan 8.290 nan 0.000 0.426 282 A N 0.439 123.257 122.820 -0.005 0.000 2.561 282 A HA 0.465 4.784 4.320 -0.001 0.000 0.234 282 A C 1.319 178.901 177.584 -0.003 0.000 1.055 282 A CA 1.321 53.356 52.037 -0.003 0.000 0.756 282 A CB 0.297 19.298 19.000 0.002 0.000 0.986 282 A HN 0.297 nan 8.150 nan 0.000 0.505 283 T N 0.921 115.473 114.554 -0.004 0.000 3.069 283 T HA 0.450 4.799 4.350 -0.001 0.000 0.252 283 T C 0.675 175.375 174.700 0.001 0.000 1.053 283 T CA 0.644 62.742 62.100 -0.004 0.000 0.964 283 T CB 0.122 68.985 68.868 -0.008 0.000 1.005 283 T HN 1.247 nan 8.240 nan 0.000 0.532 284 G N 0.137 108.940 108.800 0.005 0.000 2.698 284 G HA2 0.710 4.670 3.960 -0.001 0.000 0.293 284 G HA3 0.710 4.670 3.960 -0.001 0.000 0.293 284 G C -2.043 172.869 174.900 0.021 0.000 1.437 284 G CA -0.387 44.720 45.100 0.012 0.000 0.852 284 G HN 0.364 nan 8.290 nan 0.000 0.499 285 A N -0.139 122.701 122.820 0.034 0.000 2.582 285 A HA 0.690 5.009 4.320 -0.001 0.000 0.297 285 A C -1.927 175.700 177.584 0.073 0.000 1.059 285 A CA -0.526 51.540 52.037 0.048 0.000 0.705 285 A CB 1.211 20.235 19.000 0.041 0.000 1.279 285 A HN 0.995 nan 8.150 nan 0.000 0.404 286 L N 2.092 123.366 121.223 0.084 0.000 2.333 286 L HA 0.718 5.058 4.340 -0.001 0.000 0.280 286 L C -0.641 176.310 176.870 0.135 0.000 1.004 286 L CA -0.028 54.880 54.840 0.113 0.000 0.820 286 L CB 1.662 43.785 42.059 0.106 0.000 1.247 286 L HN 0.617 nan 8.230 nan 0.000 0.416 287 I N 2.117 122.796 120.570 0.182 0.000 2.465 287 I HA 0.370 4.539 4.170 -0.001 0.000 0.291 287 I C -0.746 175.532 176.117 0.268 0.000 1.014 287 I CA -0.519 60.900 61.300 0.198 0.000 1.093 287 I CB 1.842 39.949 38.000 0.179 0.000 1.267 287 I HN 0.620 nan 8.210 nan 0.000 0.431 288 H N 5.787 124.928 119.070 0.119 0.000 2.991 288 H HA 0.506 5.062 4.556 -0.001 0.000 0.304 288 H C -1.546 173.837 175.328 0.092 0.000 1.040 288 H CA -0.769 55.345 56.048 0.109 0.000 1.410 288 H CB 1.827 31.634 29.762 0.075 0.000 1.529 288 H HN 0.428 nan 8.280 nan 0.000 0.509 289 V N 7.356 127.509 119.914 0.399 0.000 2.348 289 V HA 0.377 4.496 4.120 -0.001 0.000 0.270 289 V C -0.527 175.724 176.094 0.261 0.000 1.037 289 V CA -0.311 62.135 62.300 0.243 0.000 0.872 289 V CB 0.576 32.503 31.823 0.174 0.000 1.002 289 V HN 0.762 nan 8.190 nan 0.000 0.464 290 M N 6.326 126.000 119.600 0.124 0.000 2.409 290 M HA 0.859 5.338 4.480 -0.001 0.000 0.329 290 M C 0.452 176.786 176.300 0.057 0.000 1.180 290 M CA 0.139 55.488 55.300 0.081 0.000 1.053 290 M CB 1.901 34.467 32.600 -0.056 0.000 1.586 290 M HN 0.815 nan 8.290 nan 0.000 0.461 291 G N 0.997 109.831 108.800 0.056 0.000 2.600 291 G HA2 0.697 4.656 3.960 -0.001 0.000 0.293 291 G HA3 0.697 4.656 3.960 -0.001 0.000 0.293 291 G C -3.361 171.559 174.900 0.034 0.000 1.408 291 G CA -0.923 44.201 45.100 0.040 0.000 0.782 291 G HN 0.394 nan 8.290 nan 0.000 0.482 292 P HA 0.198 nan 4.420 nan 0.000 0.282 292 P C 0.700 178.014 177.300 0.024 0.000 1.287 292 P CA -0.227 62.886 63.100 0.022 0.000 0.792 292 P CB 1.147 32.856 31.700 0.016 0.000 1.163 293 E N 0.958 121.171 120.200 0.020 0.000 2.284 293 E HA -0.238 4.112 4.350 -0.001 0.000 0.200 293 E C 0.470 177.083 176.600 0.021 0.000 1.008 293 E CA 1.652 58.064 56.400 0.020 0.000 0.829 293 E CB -1.085 28.624 29.700 0.016 0.000 0.744 293 E HN 0.498 nan 8.360 nan 0.000 0.491 294 D N 0.900 121.313 120.400 0.021 0.000 2.434 294 D HA 0.070 4.709 4.640 -0.001 0.000 0.232 294 D C 0.176 176.492 176.300 0.027 0.000 1.166 294 D CA -0.558 53.455 54.000 0.021 0.000 0.830 294 D CB -0.453 40.358 40.800 0.017 0.000 0.960 294 D HN 0.073 nan 8.370 nan 0.000 0.497 295 L N 1.755 122.998 121.223 0.033 0.000 2.367 295 L HA 0.380 4.719 4.340 -0.001 0.000 0.275 295 L C 0.145 177.042 176.870 0.046 0.000 1.129 295 L CA 0.077 54.943 54.840 0.043 0.000 0.839 295 L CB 1.146 43.237 42.059 0.054 0.000 1.133 295 L HN 0.166 nan 8.230 nan 0.000 0.453 296 T N 2.019 116.603 114.554 0.049 0.000 2.918 296 T HA 0.310 4.659 4.350 -0.001 0.000 0.286 296 T C 0.867 175.611 174.700 0.074 0.000 1.026 296 T CA -0.731 61.400 62.100 0.052 0.000 1.031 296 T CB 1.162 70.054 68.868 0.040 0.000 1.046 296 T HN 0.612 nan 8.240 nan 0.000 0.479 297 L N 1.350 122.625 121.223 0.086 0.000 2.191 297 L HA 0.011 4.351 4.340 -0.001 0.000 0.212 297 L C 2.492 179.429 176.870 0.113 0.000 1.103 297 L CA 1.676 56.597 54.840 0.135 0.000 0.769 297 L CB -0.739 41.403 42.059 0.138 0.000 0.908 297 L HN 0.747 nan 8.230 nan 0.000 0.438 298 E N 0.010 120.249 120.200 0.065 0.000 2.058 298 E HA -0.260 4.089 4.350 -0.001 0.000 0.194 298 E C 1.976 178.584 176.600 0.012 0.000 0.997 298 E CA 1.754 58.173 56.400 0.031 0.000 0.801 298 E CB -0.285 29.428 29.700 0.022 0.000 0.746 298 E HN 0.674 nan 8.360 nan 0.000 0.450 299 E N 1.087 121.303 120.200 0.026 0.000 2.051 299 E HA -0.144 4.205 4.350 -0.001 0.000 0.192 299 E C 2.137 178.741 176.600 0.008 0.000 0.991 299 E CA 1.112 57.522 56.400 0.016 0.000 0.799 299 E CB -0.205 29.513 29.700 0.030 0.000 0.748 299 E HN 0.232 nan 8.360 nan 0.000 0.449 300 A N 1.519 124.369 122.820 0.050 0.000 1.940 300 A HA -0.220 4.099 4.320 -0.001 0.000 0.219 300 A C 2.142 179.640 177.584 -0.144 0.000 1.176 300 A CA 1.740 53.813 52.037 0.059 0.000 0.631 300 A CB -0.434 18.723 19.000 0.263 0.000 0.814 300 A HN 0.018 nan 8.150 nan 0.000 0.446 301 R N 0.171 120.578 120.500 -0.155 0.000 2.096 301 R HA -0.137 4.203 4.340 -0.001 0.000 0.235 301 R C 2.061 178.220 176.300 -0.235 0.000 1.127 301 R CA 1.949 57.868 56.100 -0.302 0.000 0.968 301 R CB -0.434 29.790 30.300 -0.127 0.000 0.861 301 R HN 0.729 nan 8.270 nan 0.000 0.440 302 E N -0.773 119.349 120.200 -0.129 0.000 2.150 302 E HA -0.115 4.234 4.350 -0.001 0.000 0.193 302 E C 1.575 178.111 176.600 -0.106 0.000 0.985 302 E CA 1.175 57.517 56.400 -0.097 0.000 0.814 302 E CB 0.163 29.832 29.700 -0.052 0.000 0.752 302 E HN 0.211 nan 8.360 nan 0.000 0.466 303 V N 0.423 120.273 119.914 -0.107 0.000 2.379 303 V HA -0.197 3.922 4.120 -0.001 0.000 0.245 303 V C 2.344 178.355 176.094 -0.138 0.000 1.044 303 V CA 1.218 63.466 62.300 -0.087 0.000 1.036 303 V CB 0.022 31.821 31.823 -0.040 0.000 0.664 303 V HN 0.207 nan 8.190 nan 0.000 0.453 304 V N 0.342 120.100 119.914 -0.260 0.000 2.427 304 V HA -0.211 3.909 4.120 -0.001 0.000 0.248 304 V C 2.668 178.611 176.094 -0.252 0.000 1.051 304 V CA 1.876 63.967 62.300 -0.349 0.000 1.048 304 V CB -1.044 30.304 31.823 -0.792 0.000 0.666 304 V HN 0.548 nan 8.190 nan 0.000 0.456 305 A N -0.099 122.587 122.820 -0.224 0.000 1.898 305 A HA -0.200 4.120 4.320 -0.001 0.000 0.216 305 A C 2.406 179.930 177.584 -0.099 0.000 1.181 305 A CA 2.365 54.313 52.037 -0.148 0.000 0.620 305 A CB -0.951 17.974 19.000 -0.124 0.000 0.819 305 A HN 0.493 nan 8.150 nan 0.000 0.442 306 T N -0.238 114.262 114.554 -0.089 0.000 2.684 306 T HA -0.141 4.209 4.350 -0.001 0.000 0.267 306 T C 1.874 176.544 174.700 -0.051 0.000 1.036 306 T CA 1.769 63.834 62.100 -0.059 0.000 1.148 306 T CB -0.451 68.387 68.868 -0.049 0.000 0.863 306 T HN 0.162 nan 8.240 nan 0.000 0.436 307 V N 1.152 121.031 119.914 -0.058 0.000 2.323 307 V HA -0.132 3.987 4.120 -0.001 0.000 0.244 307 V C 2.723 178.792 176.094 -0.041 0.000 1.041 307 V CA 1.786 64.061 62.300 -0.042 0.000 1.025 307 V CB -0.851 30.950 31.823 -0.037 0.000 0.656 307 V HN 0.521 nan 8.190 nan 0.000 0.451 308 S N 1.211 116.874 115.700 -0.062 0.000 2.387 308 S HA -0.227 4.242 4.470 -0.001 0.000 0.230 308 S C 2.060 176.638 174.600 -0.037 0.000 1.035 308 S CA 2.204 60.372 58.200 -0.053 0.000 1.014 308 S CB -0.426 62.728 63.200 -0.078 0.000 0.836 308 S HN 0.809 nan 8.310 nan 0.000 0.466 309 S N 0.139 115.815 115.700 -0.038 0.000 2.607 309 S HA 0.215 4.684 4.470 -0.001 0.000 0.224 309 S C 1.616 176.204 174.600 -0.021 0.000 0.969 309 S CA -0.230 57.953 58.200 -0.029 0.000 0.927 309 S CB -0.148 63.034 63.200 -0.030 0.000 0.772 309 S HN 0.422 nan 8.310 nan 0.000 0.533 310 R N 0.396 120.884 120.500 -0.020 0.000 2.225 310 R HA 0.427 4.767 4.340 -0.001 0.000 0.194 310 R C 0.799 177.093 176.300 -0.011 0.000 0.957 310 R CA 0.126 56.218 56.100 -0.014 0.000 1.042 310 R CB -0.384 29.908 30.300 -0.012 0.000 1.004 310 R HN 0.421 nan 8.270 nan 0.000 0.509 311 L N 0.601 121.817 121.223 -0.011 0.000 2.567 311 L HA 0.213 4.553 4.340 -0.001 0.000 0.238 311 L C 0.852 177.717 176.870 -0.008 0.000 1.168 311 L CA -0.670 54.166 54.840 -0.008 0.000 0.817 311 L CB 0.156 42.212 42.059 -0.005 0.000 1.409 311 L HN -0.025 nan 8.230 nan 0.000 0.502 312 D N 1.256 121.652 120.400 -0.006 0.000 2.414 312 D HA 0.019 4.659 4.640 -0.001 0.000 0.242 312 D C -1.599 174.697 176.300 -0.006 0.000 1.129 312 D CA -1.200 52.796 54.000 -0.007 0.000 0.885 312 D CB 1.580 42.377 40.800 -0.006 0.000 1.198 312 D HN 0.277 nan 8.370 nan 0.000 0.437 313 P HA -0.120 nan 4.420 nan 0.000 0.223 313 P C 0.285 177.583 177.300 -0.004 0.000 1.144 313 P CA 1.089 64.185 63.100 -0.007 0.000 0.783 313 P CB 0.199 31.895 31.700 -0.007 0.000 0.771 314 N N -0.729 117.970 118.700 -0.003 0.000 2.236 314 N HA 0.203 4.942 4.740 -0.001 0.000 0.196 314 N C 0.358 175.869 175.510 0.001 0.000 1.114 314 N CA -0.428 52.621 53.050 -0.001 0.000 0.859 314 N CB 0.261 38.747 38.487 -0.003 0.000 0.982 314 N HN 0.062 nan 8.380 nan 0.000 0.493 315 A N 1.165 123.985 122.820 0.001 0.000 2.531 315 A HA 0.105 4.424 4.320 -0.001 0.000 0.236 315 A C 0.342 177.933 177.584 0.013 0.000 1.062 315 A CA 0.521 52.561 52.037 0.005 0.000 0.760 315 A CB 0.133 19.135 19.000 0.004 0.000 0.995 315 A HN 0.060 nan 8.150 nan 0.000 0.501 316 T N 3.225 117.788 114.554 0.015 0.000 2.744 316 T HA 0.519 4.868 4.350 -0.001 0.000 0.291 316 T C -0.159 174.565 174.700 0.041 0.000 0.957 316 T CA 0.290 62.405 62.100 0.024 0.000 1.002 316 T CB -0.011 68.864 68.868 0.011 0.000 0.919 316 T HN 0.412 nan 8.240 nan 0.000 0.468 317 I N 4.836 125.448 120.570 0.070 0.000 2.418 317 I HA 0.380 4.549 4.170 -0.001 0.000 0.287 317 I C -0.603 175.631 176.117 0.195 0.000 1.008 317 I CA -0.990 60.376 61.300 0.111 0.000 1.104 317 I CB 1.488 39.544 38.000 0.094 0.000 1.264 317 I HN 0.332 nan 8.210 nan 0.000 0.438 318 I N 6.644 127.315 120.570 0.169 0.000 2.428 318 I HA 0.462 4.631 4.170 -0.001 0.000 0.296 318 I C -0.523 175.762 176.117 0.280 0.000 0.985 318 I CA -0.597 60.796 61.300 0.155 0.000 1.260 318 I CB 1.299 39.333 38.000 0.057 0.000 1.389 318 I HN 0.659 nan 8.210 nan 0.000 0.484 319 W N 3.944 125.241 121.300 -0.005 0.000 3.248 319 W HA 0.745 5.404 4.660 -0.001 0.000 0.311 319 W C -1.055 175.443 176.519 -0.035 0.000 1.258 319 W CA -1.269 56.072 57.345 -0.006 0.000 1.191 319 W CB 1.066 30.529 29.460 0.006 0.000 1.389 319 W HN 0.697 nan 8.180 nan 0.000 0.561 320 G N 0.023 108.854 108.800 0.051 0.000 2.727 320 G HA2 0.865 4.825 3.960 -0.001 0.000 0.289 320 G HA3 0.865 4.825 3.960 -0.001 0.000 0.289 320 G C -2.075 172.851 174.900 0.043 0.000 1.418 320 G CA -0.419 44.576 45.100 -0.175 0.000 0.818 320 G HN 1.220 nan 8.290 nan 0.000 0.486 321 A N 0.295 123.108 122.820 -0.013 0.000 2.547 321 A HA 0.757 5.076 4.320 -0.001 0.000 0.279 321 A C -0.109 177.514 177.584 0.064 0.000 1.088 321 A CA 0.117 52.222 52.037 0.114 0.000 0.796 321 A CB 0.828 19.936 19.000 0.179 0.000 1.308 321 A HN 1.657 nan 8.150 nan 0.000 0.415 322 T N -0.329 114.308 114.554 0.138 0.000 2.950 322 T HA 0.807 5.156 4.350 -0.001 0.000 0.288 322 T C -0.219 174.552 174.700 0.119 0.000 1.035 322 T CA -0.691 61.483 62.100 0.124 0.000 1.028 322 T CB 1.100 70.082 68.868 0.189 0.000 1.109 322 T HN 0.423 nan 8.240 nan 0.000 0.514 323 I N 1.845 122.461 120.570 0.076 0.000 2.354 323 I HA 0.314 4.483 4.170 -0.001 0.000 0.292 323 I C -0.360 175.784 176.117 0.046 0.000 0.989 323 I CA -0.690 60.644 61.300 0.056 0.000 1.188 323 I CB 1.466 39.490 38.000 0.039 0.000 1.342 323 I HN 0.688 nan 8.210 nan 0.000 0.457 324 D N 5.681 126.103 120.400 0.037 0.000 2.329 324 D HA 0.070 4.709 4.640 -0.001 0.000 0.232 324 D C 0.835 177.144 176.300 0.016 0.000 1.088 324 D CA -0.206 53.807 54.000 0.023 0.000 0.835 324 D CB 1.701 42.508 40.800 0.011 0.000 1.078 324 D HN 0.534 nan 8.370 nan 0.000 0.495 325 E N 3.648 123.856 120.200 0.013 0.000 2.045 325 E HA -0.277 4.072 4.350 -0.001 0.000 0.212 325 E C 0.092 176.696 176.600 0.007 0.000 1.039 325 E CA 1.727 58.133 56.400 0.010 0.000 0.860 325 E CB -0.126 29.578 29.700 0.007 0.000 0.776 325 E HN 0.598 nan 8.360 nan 0.000 0.467 326 N N 0.448 119.150 118.700 0.004 0.000 3.034 326 N HA 0.186 4.925 4.740 -0.001 0.000 0.265 326 N C -0.487 175.024 175.510 0.001 0.000 1.166 326 N CA -0.065 52.986 53.050 0.002 0.000 1.081 326 N CB 0.971 39.458 38.487 0.000 0.000 1.378 326 N HN 0.141 nan 8.380 nan 0.000 0.520 327 L N 0.209 121.434 121.223 0.003 0.000 3.366 327 L HA 0.364 4.704 4.340 -0.001 0.000 0.304 327 L C 0.166 177.038 176.870 0.003 0.000 1.292 327 L CA 0.015 54.856 54.840 0.002 0.000 1.012 327 L CB -0.862 41.199 42.059 0.003 0.000 1.414 327 L HN 0.330 nan 8.230 nan 0.000 0.603 328 E N 0.441 120.643 120.200 0.003 0.000 3.180 328 E HA -0.315 4.034 4.350 -0.001 0.000 0.321 328 E C 0.164 176.768 176.600 0.006 0.000 1.452 328 E CA 1.756 58.159 56.400 0.004 0.000 1.710 328 E CB -0.887 28.814 29.700 0.003 0.000 1.867 328 E HN 0.591 nan 8.360 nan 0.000 0.513 329 N N 0.046 118.750 118.700 0.006 0.000 2.241 329 N HA 0.141 4.880 4.740 -0.001 0.000 0.238 329 N C -0.726 174.788 175.510 0.008 0.000 1.244 329 N CA 0.110 53.164 53.050 0.008 0.000 0.880 329 N CB 1.113 39.604 38.487 0.007 0.000 1.179 329 N HN 0.118 nan 8.380 nan 0.000 0.513 330 T N 1.641 116.199 114.554 0.007 0.000 2.875 330 T HA 0.352 4.702 4.350 -0.001 0.000 0.284 330 T C 0.338 175.043 174.700 0.008 0.000 0.995 330 T CA -0.536 61.567 62.100 0.006 0.000 1.060 330 T CB 2.353 71.222 68.868 0.002 0.000 0.967 330 T HN 0.009 nan 8.240 nan 0.000 0.476 331 V N 1.455 121.375 119.914 0.010 0.000 2.495 331 V HA 0.739 4.858 4.120 -0.001 0.000 0.298 331 V C -0.312 175.786 176.094 0.007 0.000 1.031 331 V CA -1.224 61.085 62.300 0.015 0.000 0.871 331 V CB 1.487 33.324 31.823 0.023 0.000 0.988 331 V HN 0.856 nan 8.190 nan 0.000 0.432 332 R N 3.260 123.760 120.500 0.001 0.000 2.532 332 R HA 0.830 5.169 4.340 -0.001 0.000 0.295 332 R C -1.681 174.615 176.300 -0.007 0.000 0.968 332 R CA -0.564 55.528 56.100 -0.013 0.000 0.916 332 R CB 2.115 32.391 30.300 -0.039 0.000 1.124 332 R HN 0.737 nan 8.270 nan 0.000 0.463 333 V N 5.872 125.786 119.914 -0.001 0.000 2.444 333 V HA 0.328 4.447 4.120 -0.001 0.000 0.294 333 V C -0.934 175.166 176.094 0.010 0.000 1.022 333 V CA -0.891 61.420 62.300 0.018 0.000 0.850 333 V CB 1.474 33.313 31.823 0.027 0.000 0.992 333 V HN 0.612 nan 8.190 nan 0.000 0.426 334 L N 6.446 127.680 121.223 0.019 0.000 2.296 334 L HA 0.731 5.070 4.340 -0.001 0.000 0.286 334 L C -1.087 175.820 176.870 0.063 0.000 1.023 334 L CA -0.138 54.715 54.840 0.022 0.000 0.812 334 L CB 1.336 43.394 42.059 -0.003 0.000 1.223 334 L HN 0.547 nan 8.230 nan 0.000 0.421 335 L N 5.825 127.078 121.223 0.050 0.000 2.333 335 L HA 0.649 4.988 4.340 -0.001 0.000 0.280 335 L C -0.993 175.910 176.870 0.055 0.000 1.004 335 L CA -0.235 54.639 54.840 0.056 0.000 0.820 335 L CB 2.107 44.189 42.059 0.037 0.000 1.247 335 L HN 0.419 nan 8.230 nan 0.000 0.416 336 V N 5.995 125.948 119.914 0.066 0.000 2.357 336 V HA 0.422 4.541 4.120 -0.001 0.000 0.281 336 V C -0.414 175.711 176.094 0.052 0.000 1.015 336 V CA -0.536 61.801 62.300 0.062 0.000 0.827 336 V CB 1.395 33.265 31.823 0.080 0.000 1.018 336 V HN 0.443 nan 8.190 nan 0.000 0.432 337 I N 4.992 125.586 120.570 0.039 0.000 2.331 337 I HA 0.496 4.665 4.170 -0.001 0.000 0.292 337 I C 0.939 177.072 176.117 0.026 0.000 0.998 337 I CA 0.464 61.782 61.300 0.030 0.000 1.267 337 I CB 1.903 39.916 38.000 0.022 0.000 1.386 337 I HN 0.781 nan 8.210 nan 0.000 0.476 338 T N 1.503 116.069 114.554 0.020 0.000 2.936 338 T HA 0.656 5.005 4.350 -0.001 0.000 0.282 338 T C 0.865 175.566 174.700 0.002 0.000 1.003 338 T CA -0.263 61.845 62.100 0.013 0.000 1.005 338 T CB 1.441 70.314 68.868 0.009 0.000 1.097 338 T HN 1.110 nan 8.240 nan 0.000 0.532 339 G N -0.179 108.618 108.800 -0.005 0.000 2.198 339 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.260 339 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.260 339 G C 0.530 175.418 174.900 -0.020 0.000 1.025 339 G CA 0.485 45.576 45.100 -0.015 0.000 0.769 339 G HN 1.913 nan 8.290 nan 0.000 0.507 340 V N -1.630 118.274 119.914 -0.017 0.000 3.596 340 V HA 0.181 4.300 4.120 -0.001 0.000 0.289 340 V C 2.304 178.371 176.094 -0.046 0.000 1.336 340 V CA 1.251 63.538 62.300 -0.021 0.000 1.137 340 V CB 0.455 32.275 31.823 -0.004 0.000 0.966 340 V HN 0.602 nan 8.190 nan 0.000 0.428 341 Q N 2.957 122.715 119.800 -0.071 0.000 2.133 341 Q HA -0.262 4.078 4.340 -0.001 0.000 0.208 341 Q C 2.077 177.988 176.000 -0.148 0.000 0.991 341 Q CA 2.658 58.375 55.803 -0.144 0.000 0.867 341 Q CB -1.416 27.225 28.738 -0.162 0.000 0.911 341 Q HN 0.848 nan 8.270 nan 0.000 0.417 342 S N 0.179 115.820 115.700 -0.098 0.000 2.547 342 S HA 0.008 4.477 4.470 -0.001 0.000 0.235 342 S C 1.379 175.940 174.600 -0.064 0.000 0.980 342 S CA 0.714 58.865 58.200 -0.082 0.000 0.941 342 S CB -0.008 63.156 63.200 -0.059 0.000 0.763 342 S HN 0.363 nan 8.310 nan 0.000 0.532 343 R N -0.550 119.917 120.500 -0.055 0.000 2.397 343 R HA 0.540 4.879 4.340 -0.001 0.000 0.241 343 R C -0.588 175.695 176.300 -0.027 0.000 0.914 343 R CA -0.059 56.021 56.100 -0.033 0.000 1.071 343 R CB 0.165 30.454 30.300 -0.019 0.000 1.116 343 R HN 0.336 nan 8.270 nan 0.000 0.524 344 I N 0.106 120.645 120.570 -0.053 0.000 2.797 344 I HA 0.225 4.394 4.170 -0.001 0.000 0.307 344 I C -0.674 175.412 176.117 -0.052 0.000 1.033 344 I CA -0.899 60.384 61.300 -0.028 0.000 1.071 344 I CB 1.983 39.981 38.000 -0.003 0.000 1.255 344 I HN -0.015 nan 8.210 nan 0.000 0.445 345 E N 4.840 125.060 120.200 0.033 0.000 2.267 345 E HA 0.280 4.629 4.350 -0.001 0.000 0.248 345 E C -1.401 175.324 176.600 0.208 0.000 0.899 345 E CA -0.566 55.867 56.400 0.054 0.000 0.764 345 E CB 0.853 30.581 29.700 0.047 0.000 1.227 345 E HN 0.181 nan 8.360 nan 0.000 0.421 346 F N 3.123 123.073 119.950 -0.000 0.000 2.502 346 F HA 0.053 4.579 4.527 -0.001 0.000 0.361 346 F C 1.254 177.056 175.800 0.003 0.000 1.157 346 F CA -0.310 57.690 58.000 0.001 0.000 1.096 346 F CB -0.387 38.612 39.000 -0.001 0.000 1.141 346 F HN 0.238 nan 8.300 nan 0.000 0.579 347 T N -1.292 113.359 114.554 0.161 0.000 2.927 347 T HA 0.445 4.794 4.350 -0.001 0.000 0.286 347 T C 0.144 174.865 174.700 0.035 0.000 1.040 347 T CA -0.894 61.256 62.100 0.084 0.000 1.010 347 T CB 1.762 70.669 68.868 0.064 0.000 1.177 347 T HN 0.309 nan 8.240 nan 0.000 0.546 348 D N -0.423 119.991 120.400 0.022 0.000 2.538 348 D HA 0.168 4.807 4.640 -0.001 0.000 0.234 348 D C 1.178 177.479 176.300 0.003 0.000 1.191 348 D CA -0.145 53.855 54.000 0.001 0.000 0.828 348 D CB -0.166 40.636 40.800 0.004 0.000 0.981 348 D HN 0.722 nan 8.370 nan 0.000 0.490 349 T N -4.397 110.162 114.554 0.009 0.000 3.130 349 T HA 0.530 4.879 4.350 -0.001 0.000 0.288 349 T C 0.780 175.487 174.700 0.013 0.000 0.936 349 T CA 0.074 62.182 62.100 0.014 0.000 0.897 349 T CB 0.552 69.432 68.868 0.021 0.000 1.178 349 T HN 0.416 nan 8.240 nan 0.000 0.543 350 G N 1.125 109.927 108.800 0.003 0.000 2.293 350 G HA2 0.236 4.196 3.960 -0.001 0.000 0.282 350 G HA3 0.236 4.196 3.960 -0.001 0.000 0.282 350 G C -1.894 173.024 174.900 0.030 0.000 1.299 350 G CA -0.856 44.245 45.100 0.001 0.000 1.018 350 G HN 0.441 nan 8.290 nan 0.000 0.478 351 L N 0.169 121.419 121.223 0.045 0.000 2.322 351 L HA 0.738 5.078 4.340 -0.001 0.000 0.279 351 L C -0.018 176.896 176.870 0.073 0.000 1.036 351 L CA -0.662 54.235 54.840 0.095 0.000 0.807 351 L CB 1.786 43.908 42.059 0.104 0.000 1.226 351 L HN 0.516 nan 8.230 nan 0.000 0.433 352 K N 2.444 122.892 120.400 0.079 0.000 2.482 352 K HA 0.477 4.796 4.320 -0.001 0.000 0.251 352 K C -1.111 175.516 176.600 0.045 0.000 0.936 352 K CA -0.765 55.553 56.287 0.053 0.000 0.791 352 K CB 2.310 34.837 32.500 0.045 0.000 1.213 352 K HN 0.380 nan 8.250 nan 0.000 0.428 353 R N 1.575 122.095 120.500 0.033 0.000 2.594 353 R HA 0.178 4.517 4.340 -0.001 0.000 0.272 353 R C -0.288 176.020 176.300 0.014 0.000 1.074 353 R CA -0.233 55.880 56.100 0.022 0.000 1.105 353 R CB 0.407 30.718 30.300 0.018 0.000 1.008 353 R HN 0.253 nan 8.270 nan 0.000 0.472 354 K N 2.636 123.039 120.400 0.004 0.000 2.264 354 K HA 0.078 4.397 4.320 -0.001 0.000 0.277 354 K C 0.149 176.749 176.600 -0.002 0.000 1.067 354 K CA -0.314 55.972 56.287 -0.001 0.000 0.900 354 K CB 1.310 33.803 32.500 -0.012 0.000 1.124 354 K HN 0.400 nan 8.250 nan 0.000 0.469 355 K N 2.525 122.925 120.400 0.001 0.000 2.642 355 K HA -0.153 4.167 4.320 -0.001 0.000 0.194 355 K C 0.234 176.833 176.600 -0.003 0.000 1.039 355 K CA 0.323 56.610 56.287 0.000 0.000 0.947 355 K CB -0.616 31.885 32.500 0.001 0.000 0.784 355 K HN 0.478 nan 8.250 nan 0.000 0.491 356 L N -0.650 120.570 121.223 -0.006 0.000 7.194 356 L HA -0.340 3.999 4.340 -0.001 0.000 0.162 356 L C -0.040 176.826 176.870 -0.006 0.000 1.215 356 L CA 1.627 56.463 54.840 -0.008 0.000 1.466 356 L CB -0.504 41.551 42.059 -0.007 0.000 2.669 356 L HN 0.344 nan 8.230 nan 0.000 1.094 357 E N -1.440 118.756 120.200 -0.007 0.000 2.347 357 E HA 0.496 4.846 4.350 -0.001 0.000 0.285 357 E C -0.418 176.178 176.600 -0.006 0.000 0.925 357 E CA -0.462 55.934 56.400 -0.006 0.000 0.779 357 E CB 0.848 30.544 29.700 -0.007 0.000 1.233 357 E HN 0.472 nan 8.360 nan 0.000 0.414 358 L N 1.441 122.662 121.223 -0.005 0.000 2.575 358 L HA 0.300 4.639 4.340 -0.001 0.000 0.228 358 L C 0.830 177.697 176.870 -0.004 0.000 1.075 358 L CA 0.324 55.161 54.840 -0.004 0.000 0.867 358 L CB 0.946 43.002 42.059 -0.004 0.000 1.097 358 L HN 0.381 nan 8.230 nan 0.000 0.485 359 T N -1.136 113.416 114.554 -0.004 0.000 2.940 359 T HA 0.447 4.796 4.350 -0.001 0.000 0.288 359 T C 0.837 175.534 174.700 -0.004 0.000 1.045 359 T CA -0.057 62.041 62.100 -0.004 0.000 1.018 359 T CB 2.009 70.875 68.868 -0.003 0.000 1.151 359 T HN 0.125 nan 8.240 nan 0.000 0.529 360 G N 0.648 109.445 108.800 -0.004 0.000 3.088 360 G HA2 0.182 4.141 3.960 -0.001 0.000 0.217 360 G HA3 0.182 4.141 3.960 -0.001 0.000 0.217 360 G C 0.549 175.447 174.900 -0.004 0.000 1.159 360 G CA -0.139 44.959 45.100 -0.004 0.000 0.760 360 G HN 0.532 nan 8.290 nan 0.000 0.550 361 I N 2.759 123.327 120.570 -0.003 0.000 2.775 361 I HA 0.111 4.280 4.170 -0.001 0.000 0.290 361 I C -1.488 174.628 176.117 -0.003 0.000 1.203 361 I CA -2.141 59.157 61.300 -0.003 0.000 1.433 361 I CB 0.264 38.263 38.000 -0.002 0.000 1.354 361 I HN 0.066 nan 8.210 nan 0.000 0.579 362 P HA 0.228 nan 4.420 nan 0.000 0.277 362 P C -0.200 177.099 177.300 -0.002 0.000 1.240 362 P CA -0.584 62.515 63.100 -0.002 0.000 0.798 362 P CB 1.382 33.081 31.700 -0.002 0.000 0.979 363 K N 1.112 121.511 120.400 -0.002 0.000 2.202 363 K HA 0.409 4.728 4.320 -0.001 0.000 0.238 363 K C 0.406 177.006 176.600 -0.001 0.000 1.070 363 K CA -0.211 56.076 56.287 -0.001 0.000 0.859 363 K CB 0.170 32.669 32.500 -0.001 0.000 1.140 363 K HN 0.444 nan 8.250 nan 0.000 0.515 364 I N 0.000 120.570 120.570 0.000 0.000 2.984 364 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 364 I CA 0.000 61.300 61.300 0.000 0.000 1.566 364 I CB 0.000 38.000 38.000 0.000 0.000 1.214 364 I HN 0.000 nan 8.210 nan 0.000 0.494