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 2vgj_1_C DATA FIRST_RESID 1 DATA SEQUENCE RLTELREDID AILEDPALEG AVSGVVVVDT ATGEELYSRD GGEQLLPASN DATA SEQUENCE MKLFTAAAAL EVLGADHSFG TEVAAESAPG RRGEVQDLYL VGRGDPTLSA DATA SEQUENCE EDLDAMAAEV AASGVRTVRG DLYADDTWFD SERLVDDWWP EDEPYAYSAQ DATA SEQUENCE ISALTVAHGE RFDTGVTEVS VTPAAEGEPA DVDLGAAEGY AELDNRAVTG DATA SEQUENCE AAGSANTLVI DRPVGTNTIA VTGSLPADAA PVTALRTVDE PAALAGHLFE DATA SEQUENCE EALESNGVTV KGDVGLGGVP ADWQDAEVLA DHTSAELSEI LVPFMKFSNN DATA SEQUENCE GHAEMLVKSI GQETAGAGTW DAGLVGVEEA LSGLGVDTAG LVLNDGSGLS DATA SEQUENCE RGNLVTADTV VDLLGQAGSA PWAQTWSASL PVAGESDPFV GGTLANRMRG DATA SEQUENCE TAAEGVVEAK TGTMSGVSAL SGYVPGPEGE LAFSIVNNGH SGPAPLAVQD DATA SEQUENCE AIAVRLAEYA GHQAPE 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 1 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.389 176.300 0.149 0.000 0.893 1 R CA 0.000 56.153 56.100 0.088 0.000 0.921 1 R CB 0.000 30.339 30.300 0.064 0.000 0.687 2 L N 2.008 123.317 121.223 0.143 0.000 2.291 2 L HA -0.034 4.307 4.340 0.001 0.000 0.214 2 L C 2.019 178.922 176.870 0.055 0.000 1.120 2 L CA 2.342 57.255 54.840 0.121 0.000 0.799 2 L CB -0.267 41.849 42.059 0.095 0.000 0.925 2 L HN 0.964 nan 8.230 nan 0.000 0.446 3 T N -4.513 110.073 114.554 0.054 0.000 3.072 3 T HA -0.178 4.173 4.350 0.001 0.000 0.266 3 T C 1.520 176.241 174.700 0.035 0.000 1.127 3 T CA 0.916 63.039 62.100 0.039 0.000 1.107 3 T CB 0.031 68.919 68.868 0.033 0.000 0.910 3 T HN 0.408 nan 8.240 nan 0.000 0.513 4 E N 0.174 120.399 120.200 0.042 0.000 2.102 4 E HA 0.073 4.424 4.350 0.001 0.000 0.190 4 E C 1.993 178.602 176.600 0.016 0.000 0.971 4 E CA 0.248 56.669 56.400 0.034 0.000 0.821 4 E CB -0.083 29.645 29.700 0.046 0.000 0.777 4 E HN 0.405 nan 8.360 nan 0.000 0.460 5 L N 1.484 122.709 121.223 0.003 0.000 2.079 5 L HA -0.186 4.155 4.340 0.001 0.000 0.210 5 L C 2.170 178.990 176.870 -0.083 0.000 1.081 5 L CA 1.684 56.476 54.840 -0.080 0.000 0.752 5 L CB -0.108 41.794 42.059 -0.261 0.000 0.896 5 L HN -0.013 nan 8.230 nan 0.000 0.433 6 R N -0.623 119.873 120.500 -0.006 0.000 2.090 6 R HA -0.086 4.255 4.340 0.001 0.000 0.228 6 R C 2.154 178.510 176.300 0.094 0.000 1.110 6 R CA 1.499 57.662 56.100 0.106 0.000 0.973 6 R CB -0.329 30.055 30.300 0.140 0.000 0.869 6 R HN 0.496 nan 8.270 nan 0.000 0.440 7 E N 0.669 120.895 120.200 0.045 0.000 2.077 7 E HA -0.173 4.178 4.350 0.001 0.000 0.193 7 E C 1.376 177.977 176.600 0.001 0.000 0.989 7 E CA 1.262 57.681 56.400 0.032 0.000 0.800 7 E CB -0.029 29.684 29.700 0.022 0.000 0.746 7 E HN 0.278 nan 8.360 nan 0.000 0.452 8 D N 0.570 120.955 120.400 -0.026 0.000 2.182 8 D HA -0.150 4.491 4.640 0.001 0.000 0.201 8 D C 1.855 178.094 176.300 -0.103 0.000 0.986 8 D CA 0.931 54.898 54.000 -0.055 0.000 0.847 8 D CB -0.102 40.664 40.800 -0.058 0.000 0.942 8 D HN 0.240 nan 8.370 nan 0.000 0.467 9 I N 0.558 121.028 120.570 -0.166 0.000 2.333 9 I HA -0.165 4.005 4.170 0.001 0.000 0.246 9 I C 1.799 177.827 176.117 -0.148 0.000 1.106 9 I CA 0.663 61.786 61.300 -0.295 0.000 1.411 9 I CB -0.093 37.449 38.000 -0.764 0.000 1.082 9 I HN -0.179 nan 8.210 nan 0.000 0.420 10 D N 1.429 121.824 120.400 -0.007 0.000 2.149 10 D HA -0.209 4.432 4.640 0.001 0.000 0.194 10 D C 2.184 178.497 176.300 0.021 0.000 1.001 10 D CA 1.798 55.842 54.000 0.073 0.000 0.849 10 D CB -0.061 40.795 40.800 0.093 0.000 0.939 10 D HN 0.373 nan 8.370 nan 0.000 0.449 11 A N -0.025 122.791 122.820 -0.007 0.000 1.970 11 A HA -0.015 4.305 4.320 0.001 0.000 0.216 11 A C 2.365 179.933 177.584 -0.026 0.000 1.170 11 A CA 0.434 52.464 52.037 -0.012 0.000 0.645 11 A CB -0.406 18.585 19.000 -0.015 0.000 0.816 11 A HN 0.181 nan 8.150 nan 0.000 0.447 12 I N -0.207 120.334 120.570 -0.049 0.000 2.252 12 I HA -0.196 3.975 4.170 0.001 0.000 0.245 12 I C 2.018 178.106 176.117 -0.047 0.000 1.102 12 I CA 0.930 62.194 61.300 -0.059 0.000 1.385 12 I CB -0.153 37.791 38.000 -0.093 0.000 1.064 12 I HN 0.257 nan 8.210 nan 0.000 0.414 13 L N 0.246 121.446 121.223 -0.038 0.000 2.456 13 L HA -0.124 4.216 4.340 0.001 0.000 0.224 13 L C 1.781 178.651 176.870 0.001 0.000 1.148 13 L CA 0.627 55.459 54.840 -0.012 0.000 0.825 13 L CB -0.438 41.632 42.059 0.018 0.000 0.937 13 L HN 0.224 nan 8.230 nan 0.000 0.450 14 E N -0.025 120.174 120.200 -0.001 0.000 2.494 14 E HA -0.044 4.307 4.350 0.001 0.000 0.193 14 E C 0.252 176.849 176.600 -0.005 0.000 1.074 14 E CA 0.061 56.462 56.400 0.002 0.000 0.867 14 E CB -0.331 29.371 29.700 0.003 0.000 0.924 14 E HN 0.367 nan 8.360 nan 0.000 0.502 15 D N 1.692 122.084 120.400 -0.013 0.000 2.488 15 D HA -0.051 4.590 4.640 0.001 0.000 0.238 15 D C -1.324 174.969 176.300 -0.011 0.000 1.138 15 D CA -1.303 52.686 54.000 -0.018 0.000 0.873 15 D CB 1.476 42.257 40.800 -0.031 0.000 1.183 15 D HN -0.057 nan 8.370 nan 0.000 0.458 16 P HA -0.164 nan 4.420 nan 0.000 0.218 16 P C 0.934 178.233 177.300 -0.000 0.000 1.146 16 P CA 0.920 64.019 63.100 -0.002 0.000 0.813 16 P CB 0.061 31.759 31.700 -0.003 0.000 0.778 17 A N -0.513 122.298 122.820 -0.014 0.000 2.125 17 A HA -0.061 4.260 4.320 0.001 0.000 0.219 17 A C 1.923 179.502 177.584 -0.008 0.000 1.156 17 A CA 0.933 52.957 52.037 -0.022 0.000 0.671 17 A CB -1.195 17.770 19.000 -0.058 0.000 0.794 17 A HN 0.217 nan 8.150 nan 0.000 0.459 18 L N -0.021 121.202 121.223 0.000 0.000 2.984 18 L HA 0.230 4.571 4.340 0.001 0.000 0.246 18 L C -0.175 176.722 176.870 0.044 0.000 1.268 18 L CA -0.413 54.444 54.840 0.028 0.000 1.054 18 L CB 0.272 42.336 42.059 0.009 0.000 1.393 18 L HN 0.102 nan 8.230 nan 0.000 0.532 19 E N 0.906 121.132 120.200 0.043 0.000 2.265 19 E HA 0.321 4.672 4.350 0.001 0.000 0.272 19 E C 1.117 177.744 176.600 0.046 0.000 1.067 19 E CA 0.869 57.291 56.400 0.037 0.000 0.900 19 E CB 0.526 30.244 29.700 0.030 0.000 1.017 19 E HN 0.356 nan 8.360 nan 0.000 0.431 20 G N 2.568 111.390 108.800 0.037 0.000 2.143 20 G HA2 -0.229 3.732 3.960 0.001 0.000 0.249 20 G HA3 -0.229 3.732 3.960 0.001 0.000 0.249 20 G C 0.358 175.281 174.900 0.038 0.000 0.981 20 G CA 0.141 45.260 45.100 0.032 0.000 0.665 20 G HN 0.784 nan 8.290 nan 0.000 0.528 21 A N -0.984 121.870 122.820 0.056 0.000 2.256 21 A HA 0.888 5.208 4.320 0.001 0.000 0.318 21 A C 0.066 177.686 177.584 0.060 0.000 1.103 21 A CA -0.092 51.989 52.037 0.073 0.000 0.860 21 A CB 1.728 20.809 19.000 0.136 0.000 1.182 21 A HN 1.146 nan 8.150 nan 0.000 0.501 22 V N 1.042 120.993 119.914 0.063 0.000 2.417 22 V HA 0.526 4.646 4.120 0.001 0.000 0.291 22 V C -0.150 175.985 176.094 0.069 0.000 1.024 22 V CA -0.296 62.036 62.300 0.054 0.000 0.861 22 V CB 1.382 33.230 31.823 0.041 0.000 0.985 22 V HN 0.771 nan 8.190 nan 0.000 0.436 23 S N 3.088 118.828 115.700 0.066 0.000 2.707 23 S HA 0.588 5.059 4.470 0.001 0.000 0.312 23 S C 0.357 175.004 174.600 0.079 0.000 1.116 23 S CA -0.550 57.694 58.200 0.073 0.000 1.078 23 S CB 1.598 64.839 63.200 0.069 0.000 0.997 23 S HN 1.037 nan 8.310 nan 0.000 0.477 24 G N 1.786 110.632 108.800 0.077 0.000 2.355 24 G HA2 0.521 4.482 3.960 0.001 0.000 0.276 24 G HA3 0.521 4.482 3.960 0.001 0.000 0.276 24 G C -0.776 174.191 174.900 0.111 0.000 1.198 24 G CA -0.278 44.872 45.100 0.084 0.000 0.876 24 G HN 0.593 nan 8.290 nan 0.000 0.478 25 V N 3.148 123.151 119.914 0.149 0.000 2.567 25 V HA 0.394 4.515 4.120 0.001 0.000 0.298 25 V C -0.561 175.682 176.094 0.250 0.000 1.047 25 V CA -0.636 61.789 62.300 0.208 0.000 0.880 25 V CB 1.838 33.826 31.823 0.275 0.000 1.009 25 V HN 0.579 nan 8.190 nan 0.000 0.429 26 V N 5.433 125.471 119.914 0.206 0.000 2.577 26 V HA 0.603 4.724 4.120 0.001 0.000 0.303 26 V C -0.556 175.654 176.094 0.193 0.000 1.042 26 V CA -0.614 61.795 62.300 0.181 0.000 0.872 26 V CB 2.264 34.152 31.823 0.109 0.000 0.998 26 V HN 0.585 nan 8.190 nan 0.000 0.423 27 V N 5.463 125.493 119.914 0.193 0.000 2.487 27 V HA 0.658 4.779 4.120 0.001 0.000 0.298 27 V C -0.397 175.770 176.094 0.121 0.000 1.028 27 V CA -0.559 61.837 62.300 0.159 0.000 0.860 27 V CB 1.938 33.820 31.823 0.099 0.000 0.991 27 V HN 0.591 nan 8.190 nan 0.000 0.427 28 V N 2.751 122.739 119.914 0.122 0.000 2.823 28 V HA 0.474 4.594 4.120 0.001 0.000 0.312 28 V C -0.736 175.431 176.094 0.122 0.000 1.072 28 V CA -0.670 61.693 62.300 0.104 0.000 0.937 28 V CB 2.429 34.306 31.823 0.090 0.000 1.013 28 V HN 0.897 nan 8.190 nan 0.000 0.430 29 D N 2.084 122.552 120.400 0.113 0.000 2.295 29 D HA 0.173 4.814 4.640 0.001 0.000 0.248 29 D C 1.182 177.547 176.300 0.108 0.000 1.154 29 D CA 0.295 54.370 54.000 0.124 0.000 0.857 29 D CB 2.046 42.918 40.800 0.120 0.000 1.117 29 D HN 0.776 nan 8.370 nan 0.000 0.468 30 T N 0.950 115.576 114.554 0.121 0.000 3.043 30 T HA 0.090 4.441 4.350 0.001 0.000 0.263 30 T C 1.734 176.477 174.700 0.070 0.000 1.094 30 T CA 0.636 62.799 62.100 0.105 0.000 1.127 30 T CB 0.100 69.052 68.868 0.141 0.000 0.905 30 T HN 0.279 nan 8.240 nan 0.000 0.490 31 A N 1.951 124.812 122.820 0.068 0.000 1.969 31 A HA 0.065 4.386 4.320 0.001 0.000 0.218 31 A C 2.521 180.128 177.584 0.039 0.000 1.169 31 A CA 1.904 53.968 52.037 0.046 0.000 0.635 31 A CB -0.821 18.206 19.000 0.045 0.000 0.810 31 A HN 0.722 nan 8.150 nan 0.000 0.445 32 T N -7.023 107.560 114.554 0.049 0.000 2.986 32 T HA 0.431 4.782 4.350 0.001 0.000 0.264 32 T C 1.351 176.075 174.700 0.041 0.000 0.964 32 T CA 1.078 63.203 62.100 0.041 0.000 0.895 32 T CB 0.354 69.248 68.868 0.045 0.000 1.163 32 T HN 1.746 nan 8.240 nan 0.000 0.517 33 G N 1.641 110.471 108.800 0.050 0.000 2.179 33 G HA2 -0.276 3.685 3.960 0.001 0.000 0.260 33 G HA3 -0.276 3.685 3.960 0.001 0.000 0.260 33 G C -0.150 174.779 174.900 0.048 0.000 0.977 33 G CA 0.328 45.456 45.100 0.046 0.000 0.641 33 G HN 0.866 nan 8.290 nan 0.000 0.533 34 E N 1.074 121.306 120.200 0.054 0.000 2.351 34 E HA 0.264 4.615 4.350 0.001 0.000 0.266 34 E C 0.101 176.737 176.600 0.059 0.000 1.031 34 E CA -0.241 56.191 56.400 0.054 0.000 0.911 34 E CB 0.183 29.920 29.700 0.062 0.000 0.986 34 E HN 0.462 nan 8.360 nan 0.000 0.446 35 E N 4.526 124.754 120.200 0.047 0.000 2.166 35 E HA 0.023 4.374 4.350 0.001 0.000 0.279 35 E C 0.618 177.243 176.600 0.043 0.000 1.095 35 E CA -0.119 56.308 56.400 0.045 0.000 0.888 35 E CB 0.677 30.393 29.700 0.026 0.000 1.041 35 E HN 0.619 nan 8.360 nan 0.000 0.414 36 L N 4.149 125.403 121.223 0.053 0.000 2.307 36 L HA 0.113 4.454 4.340 0.001 0.000 0.211 36 L C 0.209 177.136 176.870 0.096 0.000 1.099 36 L CA 0.306 55.162 54.840 0.027 0.000 0.816 36 L CB 0.174 42.202 42.059 -0.052 0.000 0.952 36 L HN 0.517 nan 8.230 nan 0.000 0.455 37 Y N -0.774 119.501 120.300 -0.041 0.000 2.424 37 Y HA 0.448 4.999 4.550 0.001 0.000 0.323 37 Y C -1.057 174.837 175.900 -0.009 0.000 1.174 37 Y CA -0.889 57.190 58.100 -0.036 0.000 1.060 37 Y CB 1.784 40.209 38.460 -0.058 0.000 1.314 37 Y HN -0.228 nan 8.280 nan 0.000 0.439 38 S N 5.964 121.387 115.700 -0.462 0.000 2.548 38 S HA 0.782 5.252 4.470 0.001 0.000 0.276 38 S C -1.859 172.472 174.600 -0.448 0.000 1.129 38 S CA -0.677 57.354 58.200 -0.282 0.000 0.931 38 S CB 1.288 64.406 63.200 -0.137 0.000 1.068 38 S HN 0.840 nan 8.310 nan 0.000 0.480 39 R N 3.291 123.672 120.500 -0.199 0.000 2.542 39 R HA 0.257 4.598 4.340 0.001 0.000 0.284 39 R C -1.254 175.040 176.300 -0.009 0.000 1.167 39 R CA -0.211 55.819 56.100 -0.117 0.000 1.000 39 R CB 0.502 30.770 30.300 -0.053 0.000 1.229 39 R HN 0.785 nan 8.270 nan 0.000 0.416 40 D N 2.944 123.336 120.400 -0.014 0.000 2.751 40 D HA -0.164 4.476 4.640 0.001 0.000 0.233 40 D C 0.733 177.047 176.300 0.023 0.000 1.149 40 D CA 1.491 55.497 54.000 0.010 0.000 0.682 40 D CB -0.643 40.172 40.800 0.025 0.000 1.068 40 D HN 0.887 nan 8.370 nan 0.000 0.429 41 G N -0.082 108.728 108.800 0.017 0.000 2.744 41 G HA2 0.113 4.074 3.960 0.001 0.000 0.211 41 G HA3 0.113 4.074 3.960 0.001 0.000 0.211 41 G C 1.476 176.396 174.900 0.032 0.000 1.143 41 G CA 0.763 45.884 45.100 0.034 0.000 0.788 41 G HN 0.431 nan 8.290 nan 0.000 0.534 42 G N -0.379 108.433 108.800 0.020 0.000 2.986 42 G HA2 0.206 4.167 3.960 0.001 0.000 0.213 42 G HA3 0.206 4.167 3.960 0.001 0.000 0.213 42 G C 0.392 175.302 174.900 0.018 0.000 1.156 42 G CA -0.208 44.903 45.100 0.018 0.000 0.763 42 G HN 0.417 nan 8.290 nan 0.000 0.547 43 E N 1.084 121.297 120.200 0.020 0.000 2.324 43 E HA 0.208 4.559 4.350 0.001 0.000 0.271 43 E C 0.195 176.807 176.600 0.021 0.000 1.028 43 E CA -0.152 56.259 56.400 0.019 0.000 0.890 43 E CB 0.335 30.048 29.700 0.022 0.000 1.004 43 E HN 0.220 nan 8.360 nan 0.000 0.431 44 Q N 3.888 123.696 119.800 0.013 0.000 2.307 44 Q HA 0.237 4.578 4.340 0.001 0.000 0.261 44 Q C -0.636 175.371 176.000 0.012 0.000 1.051 44 Q CA 0.151 55.959 55.803 0.008 0.000 0.911 44 Q CB 0.513 29.250 28.738 -0.001 0.000 1.227 44 Q HN 0.487 nan 8.270 nan 0.000 0.418 45 L N 2.724 123.958 121.223 0.018 0.000 2.354 45 L HA 0.497 4.837 4.340 0.001 0.000 0.264 45 L C -0.433 176.449 176.870 0.019 0.000 1.008 45 L CA -1.064 53.790 54.840 0.023 0.000 0.819 45 L CB 1.634 43.717 42.059 0.039 0.000 1.339 45 L HN 0.419 nan 8.230 nan 0.000 0.420 46 L N 3.380 124.613 121.223 0.016 0.000 2.410 46 L HA 0.179 4.519 4.340 0.001 0.000 0.273 46 L C -1.383 175.502 176.870 0.025 0.000 1.144 46 L CA -1.212 53.635 54.840 0.011 0.000 0.863 46 L CB 0.494 42.551 42.059 -0.004 0.000 1.140 46 L HN 0.441 nan 8.230 nan 0.000 0.463 47 P HA -0.023 nan 4.420 nan 0.000 0.230 47 P C 0.759 178.080 177.300 0.035 0.000 1.168 47 P CA 1.031 64.168 63.100 0.060 0.000 0.793 47 P CB 0.627 32.393 31.700 0.110 0.000 0.851 48 A N 0.488 123.312 122.820 0.007 0.000 5.821 48 A HA -0.246 4.074 4.320 0.001 0.000 0.282 48 A C 1.705 179.288 177.584 -0.002 0.000 2.032 48 A CA 1.417 53.440 52.037 -0.025 0.000 0.715 48 A CB -2.414 16.560 19.000 -0.044 0.000 1.178 48 A HN 0.180 nan 8.150 nan 0.000 0.370 49 S N 0.605 116.288 115.700 -0.028 0.000 2.537 49 S HA -0.103 4.368 4.470 0.001 0.000 0.240 49 S C 1.354 175.949 174.600 -0.008 0.000 0.981 49 S CA 1.343 59.533 58.200 -0.017 0.000 0.948 49 S CB -0.716 62.450 63.200 -0.056 0.000 0.759 49 S HN 0.630 nan 8.310 nan 0.000 0.531 50 N N 1.381 120.084 118.700 0.005 0.000 2.443 50 N HA -0.017 4.724 4.740 0.001 0.000 0.184 50 N C 1.370 176.957 175.510 0.129 0.000 1.037 50 N CA 0.486 53.547 53.050 0.019 0.000 0.896 50 N CB -0.300 38.203 38.487 0.026 0.000 0.959 50 N HN 0.325 nan 8.380 nan 0.000 0.442 51 M N 0.539 120.255 119.600 0.194 0.000 2.539 51 M HA -0.033 4.448 4.480 0.001 0.000 0.261 51 M C 1.138 177.620 176.300 0.305 0.000 1.069 51 M CA 1.329 56.830 55.300 0.334 0.000 1.081 51 M CB 0.099 32.830 32.600 0.218 0.000 1.412 51 M HN -0.063 nan 8.290 nan 0.000 0.482 52 K N -0.422 120.075 120.400 0.162 0.000 2.228 52 K HA -0.011 4.310 4.320 0.001 0.000 0.202 52 K C 1.729 178.383 176.600 0.091 0.000 1.051 52 K CA 0.934 57.304 56.287 0.139 0.000 0.960 52 K CB -0.233 32.250 32.500 -0.028 0.000 0.743 52 K HN 0.393 nan 8.250 nan 0.000 0.458 53 L N 0.078 121.298 121.223 -0.006 0.000 1.990 53 L HA -0.243 4.098 4.340 0.001 0.000 0.213 53 L C 2.232 179.155 176.870 0.088 0.000 1.072 53 L CA 1.725 56.557 54.840 -0.014 0.000 0.755 53 L CB -0.668 41.247 42.059 -0.240 0.000 0.889 53 L HN 0.104 nan 8.230 nan 0.000 0.432 54 F N -0.227 119.846 119.950 0.205 0.000 2.102 54 F HA -0.212 4.316 4.527 0.001 0.000 0.298 54 F C 2.720 178.624 175.800 0.173 0.000 1.105 54 F CA 1.690 59.793 58.000 0.170 0.000 1.239 54 F CB -1.216 37.856 39.000 0.120 0.000 0.991 54 F HN -0.001 nan 8.300 nan 0.000 0.474 55 T N -0.341 114.432 114.554 0.366 0.000 2.833 55 T HA -0.142 4.209 4.350 0.001 0.000 0.269 55 T C 2.102 176.966 174.700 0.273 0.000 1.054 55 T CA 1.220 63.500 62.100 0.300 0.000 1.135 55 T CB -0.463 68.607 68.868 0.337 0.000 0.869 55 T HN 0.335 nan 8.240 nan 0.000 0.466 56 A N 0.716 123.726 122.820 0.318 0.000 2.030 56 A HA 0.558 4.879 4.320 0.001 0.000 0.215 56 A C 2.506 180.150 177.584 0.100 0.000 1.164 56 A CA 1.050 53.275 52.037 0.314 0.000 0.697 56 A CB -0.624 18.591 19.000 0.360 0.000 0.827 56 A HN 0.459 nan 8.150 nan 0.000 0.457 57 A N 0.116 122.982 122.820 0.077 0.000 1.874 57 A HA 0.301 4.622 4.320 0.001 0.000 0.214 57 A C 2.465 179.950 177.584 -0.166 0.000 1.189 57 A CA 1.625 53.492 52.037 -0.283 0.000 0.615 57 A CB -1.003 17.912 19.000 -0.142 0.000 0.830 57 A HN 0.937 nan 8.150 nan 0.000 0.443 58 A N 0.164 122.998 122.820 0.023 0.000 1.892 58 A HA 0.061 4.382 4.320 0.001 0.000 0.218 58 A C 2.486 180.059 177.584 -0.018 0.000 1.188 58 A CA 2.367 54.429 52.037 0.043 0.000 0.631 58 A CB -1.054 18.004 19.000 0.097 0.000 0.822 58 A HN 1.098 nan 8.150 nan 0.000 0.447 59 A N -0.689 122.118 122.820 -0.022 0.000 1.969 59 A HA 0.040 4.361 4.320 0.001 0.000 0.218 59 A C 2.168 179.674 177.584 -0.130 0.000 1.169 59 A CA 1.363 53.374 52.037 -0.042 0.000 0.635 59 A CB -0.492 18.517 19.000 0.014 0.000 0.810 59 A HN 0.480 nan 8.150 nan 0.000 0.445 60 L N -0.779 120.264 121.223 -0.301 0.000 2.027 60 L HA -0.148 4.193 4.340 0.001 0.000 0.206 60 L C 2.730 179.411 176.870 -0.316 0.000 1.074 60 L CA 1.163 55.687 54.840 -0.526 0.000 0.745 60 L CB -0.488 40.739 42.059 -1.385 0.000 0.898 60 L HN 0.347 nan 8.230 nan 0.000 0.433 61 E N -0.042 120.064 120.200 -0.157 0.000 2.023 61 E HA -0.191 4.160 4.350 0.001 0.000 0.196 61 E C 2.285 178.923 176.600 0.064 0.000 1.003 61 E CA 1.421 57.895 56.400 0.124 0.000 0.809 61 E CB -0.417 29.384 29.700 0.169 0.000 0.755 61 E HN 0.270 nan 8.360 nan 0.000 0.449 62 V N 1.073 120.996 119.914 0.015 0.000 2.379 62 V HA -0.189 3.932 4.120 0.001 0.000 0.245 62 V C 2.422 178.502 176.094 -0.023 0.000 1.044 62 V CA 1.376 63.679 62.300 0.005 0.000 1.036 62 V CB -0.354 31.465 31.823 -0.006 0.000 0.664 62 V HN 0.154 nan 8.190 nan 0.000 0.453 63 L N -0.648 120.532 121.223 -0.072 0.000 2.316 63 L HA 0.524 4.865 4.340 0.001 0.000 0.207 63 L C 1.077 177.932 176.870 -0.025 0.000 1.070 63 L CA 0.768 55.517 54.840 -0.151 0.000 0.820 63 L CB -0.293 41.551 42.059 -0.358 0.000 0.992 63 L HN 0.501 nan 8.230 nan 0.000 0.466 64 G N -0.468 108.327 108.800 -0.009 0.000 2.907 64 G HA2 -0.029 3.932 3.960 0.001 0.000 0.686 64 G HA3 -0.029 3.932 3.960 0.001 0.000 0.686 64 G C 0.484 175.414 174.900 0.049 0.000 1.115 64 G CA -0.369 44.759 45.100 0.045 0.000 0.760 64 G HN 0.182 nan 8.290 nan 0.000 0.620 65 A N 0.833 123.692 122.820 0.066 0.000 2.084 65 A HA 0.084 4.405 4.320 0.001 0.000 0.221 65 A C 1.669 179.299 177.584 0.077 0.000 1.161 65 A CA 2.485 54.571 52.037 0.081 0.000 0.653 65 A CB -0.290 18.791 19.000 0.134 0.000 0.802 65 A HN 1.470 nan 8.150 nan 0.000 0.457 66 D N -2.425 118.013 120.400 0.063 0.000 2.643 66 D HA 0.242 4.883 4.640 0.001 0.000 0.244 66 D C 0.137 176.433 176.300 -0.006 0.000 1.257 66 D CA -0.457 53.561 54.000 0.030 0.000 0.831 66 D CB -0.878 39.932 40.800 0.016 0.000 1.043 66 D HN 0.568 nan 8.370 nan 0.000 0.488 67 H N 0.995 120.006 119.070 -0.099 0.000 2.722 67 H HA 0.409 4.966 4.556 0.001 0.000 0.328 67 H C 0.114 175.252 175.328 -0.317 0.000 1.067 67 H CA -0.125 55.790 56.048 -0.223 0.000 1.447 67 H CB 0.738 30.338 29.762 -0.270 0.000 1.469 67 H HN 0.135 nan 8.280 nan 0.000 0.544 68 S N 3.772 119.043 115.700 -0.715 0.000 2.677 68 S HA 0.586 5.056 4.470 0.001 0.000 0.304 68 S C -1.207 172.963 174.600 -0.717 0.000 1.108 68 S CA -0.915 56.990 58.200 -0.492 0.000 0.944 68 S CB 1.358 64.403 63.200 -0.258 0.000 1.127 68 S HN 0.419 nan 8.310 nan 0.000 0.511 69 F N 0.074 119.933 119.950 -0.150 0.000 2.507 69 F HA 0.705 5.233 4.527 0.001 0.000 0.325 69 F C 0.805 176.501 175.800 -0.173 0.000 1.116 69 F CA -0.455 57.463 58.000 -0.136 0.000 0.930 69 F CB 2.234 41.190 39.000 -0.073 0.000 1.146 69 F HN 0.965 nan 8.300 nan 0.000 0.447 70 G N 0.866 109.617 108.800 -0.081 0.000 2.417 70 G HA2 0.646 4.607 3.960 0.001 0.000 0.334 70 G HA3 0.646 4.607 3.960 0.001 0.000 0.334 70 G C -1.200 173.624 174.900 -0.126 0.000 1.150 70 G CA -0.594 44.435 45.100 -0.118 0.000 0.923 70 G HN 0.511 nan 8.290 nan 0.000 0.485 71 T N 0.907 115.419 114.554 -0.069 0.000 2.876 71 T HA 0.603 4.954 4.350 0.001 0.000 0.289 71 T C -0.715 173.939 174.700 -0.077 0.000 1.014 71 T CA -0.477 61.569 62.100 -0.091 0.000 0.986 71 T CB 2.243 71.065 68.868 -0.076 0.000 1.021 71 T HN 0.555 nan 8.240 nan 0.000 0.458 72 E N 0.800 120.943 120.200 -0.095 0.000 2.393 72 E HA 0.664 5.015 4.350 0.001 0.000 0.273 72 E C -1.381 175.190 176.600 -0.050 0.000 0.918 72 E CA -0.906 55.461 56.400 -0.055 0.000 0.773 72 E CB 2.489 32.165 29.700 -0.040 0.000 1.275 72 E HN 0.265 nan 8.360 nan 0.000 0.451 73 V N 0.999 120.920 119.914 0.010 0.000 2.555 73 V HA 0.848 4.969 4.120 0.001 0.000 0.302 73 V C -0.658 175.523 176.094 0.145 0.000 1.038 73 V CA -0.584 61.767 62.300 0.085 0.000 0.887 73 V CB 1.445 33.359 31.823 0.151 0.000 0.991 73 V HN 0.768 nan 8.190 nan 0.000 0.434 74 A N 3.132 126.089 122.820 0.229 0.000 2.515 74 A HA 1.019 5.340 4.320 0.001 0.000 0.298 74 A C -0.525 177.281 177.584 0.369 0.000 1.059 74 A CA -0.054 52.138 52.037 0.259 0.000 0.698 74 A CB 1.973 21.124 19.000 0.251 0.000 1.289 74 A HN 1.492 nan 8.150 nan 0.000 0.404 75 A N 0.121 123.078 122.820 0.229 0.000 2.437 75 A HA 0.765 5.086 4.320 0.001 0.000 0.288 75 A C 0.622 177.993 177.584 -0.355 0.000 1.201 75 A CA 0.202 52.289 52.037 0.084 0.000 0.795 75 A CB 0.911 19.928 19.000 0.029 0.000 1.359 75 A HN 0.932 nan 8.150 nan 0.000 0.435 76 E N -0.501 119.196 120.200 -0.839 0.000 2.158 76 E HA 0.032 4.383 4.350 0.001 0.000 0.191 76 E C 0.191 176.487 176.600 -0.507 0.000 0.982 76 E CA 1.199 56.885 56.400 -1.190 0.000 0.823 76 E CB 0.091 28.989 29.700 -1.337 0.000 0.766 76 E HN 0.718 nan 8.360 nan 0.000 0.468 77 S N -1.174 114.339 115.700 -0.311 0.000 2.547 77 S HA 0.642 5.113 4.470 0.001 0.000 0.270 77 S C -0.552 173.986 174.600 -0.104 0.000 1.150 77 S CA -0.694 57.405 58.200 -0.168 0.000 0.850 77 S CB 1.404 64.514 63.200 -0.149 0.000 1.118 77 S HN 0.243 nan 8.310 nan 0.000 0.461 78 A N 2.703 125.485 122.820 -0.064 0.000 2.587 78 A HA 0.486 4.807 4.320 0.001 0.000 0.233 78 A C -1.720 175.843 177.584 -0.035 0.000 1.049 78 A CA -0.379 51.636 52.037 -0.036 0.000 0.754 78 A CB -1.079 17.905 19.000 -0.025 0.000 0.977 78 A HN 0.731 nan 8.150 nan 0.000 0.509 79 P HA 0.151 nan 4.420 nan 0.000 0.269 79 P C 0.710 177.998 177.300 -0.021 0.000 1.217 79 P CA 0.458 63.546 63.100 -0.019 0.000 0.783 79 P CB 0.245 31.939 31.700 -0.010 0.000 0.898 80 G N 1.480 110.268 108.800 -0.020 0.000 2.583 80 G HA2 -0.011 3.950 3.960 0.001 0.000 0.275 80 G HA3 -0.011 3.950 3.960 0.001 0.000 0.275 80 G C 1.163 176.055 174.900 -0.014 0.000 1.342 80 G CA -0.495 44.594 45.100 -0.018 0.000 1.030 80 G HN 0.418 nan 8.290 nan 0.000 0.520 81 R N -0.782 119.710 120.500 -0.013 0.000 2.103 81 R HA -0.096 4.245 4.340 0.001 0.000 0.242 81 R C 2.207 178.501 176.300 -0.010 0.000 1.142 81 R CA 1.333 57.427 56.100 -0.010 0.000 0.960 81 R CB -0.121 30.174 30.300 -0.009 0.000 0.858 81 R HN 0.378 nan 8.270 nan 0.000 0.439 82 R N 0.332 120.826 120.500 -0.010 0.000 2.449 82 R HA 0.033 4.373 4.340 0.001 0.000 0.262 82 R C 0.001 176.296 176.300 -0.009 0.000 1.006 82 R CA 0.418 56.512 56.100 -0.009 0.000 1.104 82 R CB 0.209 30.504 30.300 -0.008 0.000 1.206 82 R HN 0.414 nan 8.270 nan 0.000 0.538 83 G N 1.522 110.316 108.800 -0.010 0.000 2.295 83 G HA2 -0.278 3.683 3.960 0.001 0.000 0.287 83 G HA3 -0.278 3.683 3.960 0.001 0.000 0.287 83 G C -0.481 174.413 174.900 -0.009 0.000 1.055 83 G CA 0.416 45.510 45.100 -0.010 0.000 0.922 83 G HN 0.484 nan 8.290 nan 0.000 0.503 84 E N -1.444 118.751 120.200 -0.009 0.000 2.244 84 E HA 0.714 5.065 4.350 0.001 0.000 0.266 84 E C -0.332 176.265 176.600 -0.005 0.000 0.914 84 E CA -0.975 55.421 56.400 -0.006 0.000 0.794 84 E CB 2.803 32.499 29.700 -0.006 0.000 1.210 84 E HN 0.133 nan 8.360 nan 0.000 0.414 85 V N 1.542 121.458 119.914 0.004 0.000 3.078 85 V HA 0.088 4.209 4.120 0.001 0.000 0.311 85 V C 0.409 176.520 176.094 0.028 0.000 1.138 85 V CA -0.702 61.604 62.300 0.011 0.000 1.007 85 V CB 1.951 33.791 31.823 0.028 0.000 1.045 85 V HN 0.629 nan 8.190 nan 0.000 0.432 86 Q N 1.203 121.029 119.800 0.043 0.000 1.909 86 Q HA 0.124 4.465 4.340 0.001 0.000 0.209 86 Q C -0.069 176.005 176.000 0.123 0.000 0.974 86 Q CA 1.556 57.406 55.803 0.077 0.000 0.851 86 Q CB 0.091 28.883 28.738 0.088 0.000 0.904 86 Q HN 0.805 nan 8.270 nan 0.000 0.445 87 D N -0.462 120.074 120.400 0.227 0.000 2.252 87 D HA 0.446 5.087 4.640 0.001 0.000 0.245 87 D C -1.278 175.246 176.300 0.373 0.000 1.009 87 D CA -0.430 53.751 54.000 0.302 0.000 0.870 87 D CB 1.715 42.830 40.800 0.526 0.000 1.251 87 D HN 0.174 nan 8.370 nan 0.000 0.460 88 L N 1.890 123.265 121.223 0.253 0.000 2.386 88 L HA 0.465 4.806 4.340 0.001 0.000 0.271 88 L C -1.800 175.206 176.870 0.226 0.000 0.993 88 L CA -0.627 54.397 54.840 0.308 0.000 0.819 88 L CB 1.419 43.598 42.059 0.200 0.000 1.294 88 L HN 0.266 nan 8.230 nan 0.000 0.414 89 Y N 4.573 125.030 120.300 0.262 0.000 2.331 89 Y HA 0.534 5.085 4.550 0.001 0.000 0.334 89 Y C -0.566 175.388 175.900 0.090 0.000 0.960 89 Y CA -0.699 57.511 58.100 0.183 0.000 1.130 89 Y CB 1.891 40.422 38.460 0.120 0.000 1.164 89 Y HN 0.433 nan 8.280 nan 0.000 0.458 90 L N 5.129 126.425 121.223 0.122 0.000 2.278 90 L HA 0.567 4.908 4.340 0.001 0.000 0.287 90 L C -1.033 175.816 176.870 -0.034 0.000 1.072 90 L CA -0.298 54.489 54.840 -0.087 0.000 0.819 90 L CB 0.431 42.300 42.059 -0.316 0.000 1.176 90 L HN 0.422 nan 8.230 nan 0.000 0.435 91 V N 5.699 125.580 119.914 -0.056 0.000 2.334 91 V HA 0.649 4.770 4.120 0.001 0.000 0.281 91 V C 0.681 176.706 176.094 -0.115 0.000 1.016 91 V CA -0.346 61.926 62.300 -0.046 0.000 0.832 91 V CB 1.065 32.874 31.823 -0.024 0.000 0.999 91 V HN 0.900 nan 8.190 nan 0.000 0.439 92 G N 3.815 112.542 108.800 -0.121 0.000 2.389 92 G HA2 0.607 4.568 3.960 0.001 0.000 0.328 92 G HA3 0.607 4.568 3.960 0.001 0.000 0.328 92 G C 0.079 174.819 174.900 -0.267 0.000 1.133 92 G CA -0.607 44.384 45.100 -0.181 0.000 0.891 92 G HN 0.662 nan 8.290 nan 0.000 0.485 93 R N 0.838 121.101 120.500 -0.395 0.000 2.668 93 R HA 0.316 4.657 4.340 0.001 0.000 0.435 93 R C 0.927 176.917 176.300 -0.517 0.000 1.059 93 R CA 0.189 55.818 56.100 -0.785 0.000 1.073 93 R CB 1.091 30.707 30.300 -1.140 0.000 1.401 93 R HN 1.010 nan 8.270 nan 0.000 0.590 94 G N 1.318 109.876 108.800 -0.403 0.000 2.135 94 G HA2 -0.229 3.732 3.960 0.001 0.000 0.183 94 G HA3 -0.229 3.732 3.960 0.001 0.000 0.183 94 G C -0.441 174.260 174.900 -0.332 0.000 1.004 94 G CA -0.224 44.694 45.100 -0.304 0.000 0.677 94 G HN 0.356 nan 8.290 nan 0.000 0.512 95 D N 0.857 121.100 120.400 -0.262 0.000 2.382 95 D HA 0.383 5.024 4.640 0.001 0.000 0.259 95 D C -0.557 175.531 176.300 -0.354 0.000 1.224 95 D CA -1.588 52.222 54.000 -0.317 0.000 0.894 95 D CB 1.223 41.964 40.800 -0.100 0.000 1.127 95 D HN 0.179 nan 8.370 nan 0.000 0.487 96 P HA 0.070 nan 4.420 nan 0.000 0.249 96 P C 0.320 177.452 177.300 -0.279 0.000 1.229 96 P CA 0.501 63.364 63.100 -0.395 0.000 0.788 96 P CB 0.250 31.515 31.700 -0.725 0.000 1.072 97 T N -4.256 110.104 114.554 -0.322 0.000 3.399 97 T HA 0.258 4.609 4.350 0.001 0.000 0.305 97 T C -0.068 174.537 174.700 -0.159 0.000 0.983 97 T CA -0.459 61.372 62.100 -0.448 0.000 0.967 97 T CB -0.852 67.315 68.868 -1.168 0.000 1.186 97 T HN -0.133 nan 8.240 nan 0.000 0.504 98 L N 3.800 124.982 121.223 -0.068 0.000 2.367 98 L HA 0.648 4.989 4.340 0.001 0.000 0.275 98 L C 0.231 177.105 176.870 0.006 0.000 1.129 98 L CA 0.351 55.150 54.840 -0.070 0.000 0.839 98 L CB 0.888 42.887 42.059 -0.099 0.000 1.133 98 L HN 0.505 nan 8.230 nan 0.000 0.453 99 S N 3.407 119.097 115.700 -0.016 0.000 2.689 99 S HA 0.739 5.210 4.470 0.001 0.000 0.306 99 S C 0.933 175.528 174.600 -0.009 0.000 1.104 99 S CA -0.324 57.895 58.200 0.032 0.000 0.973 99 S CB 1.425 64.671 63.200 0.077 0.000 1.121 99 S HN 0.843 nan 8.310 nan 0.000 0.523 100 A N 0.509 123.336 122.820 0.011 0.000 2.024 100 A HA -0.054 4.267 4.320 0.001 0.000 0.220 100 A C 1.767 179.358 177.584 0.011 0.000 1.164 100 A CA 1.777 53.824 52.037 0.017 0.000 0.643 100 A CB -1.053 17.959 19.000 0.020 0.000 0.806 100 A HN 0.918 nan 8.150 nan 0.000 0.451 101 E N 0.104 120.303 120.200 -0.002 0.000 2.158 101 E HA -0.101 4.250 4.350 0.001 0.000 0.191 101 E C 1.353 177.945 176.600 -0.013 0.000 0.982 101 E CA 0.991 57.390 56.400 -0.000 0.000 0.823 101 E CB -0.144 29.559 29.700 0.004 0.000 0.766 101 E HN 0.505 nan 8.360 nan 0.000 0.468 102 D N 0.777 121.136 120.400 -0.069 0.000 2.097 102 D HA -0.134 4.506 4.640 0.001 0.000 0.195 102 D C 1.893 178.143 176.300 -0.083 0.000 0.989 102 D CA 0.864 54.755 54.000 -0.182 0.000 0.827 102 D CB -0.183 40.346 40.800 -0.451 0.000 0.966 102 D HN 0.156 nan 8.370 nan 0.000 0.456 103 L N 0.573 121.784 121.223 -0.020 0.000 2.191 103 L HA -0.138 4.203 4.340 0.001 0.000 0.212 103 L C 2.098 179.105 176.870 0.230 0.000 1.103 103 L CA 1.000 55.916 54.840 0.126 0.000 0.769 103 L CB -0.227 41.925 42.059 0.154 0.000 0.908 103 L HN 0.054 nan 8.230 nan 0.000 0.438 104 D N -0.045 120.416 120.400 0.100 0.000 2.183 104 D HA -0.076 4.565 4.640 0.001 0.000 0.205 104 D C 2.148 178.484 176.300 0.060 0.000 0.962 104 D CA 1.004 55.041 54.000 0.061 0.000 0.849 104 D CB 0.519 41.332 40.800 0.023 0.000 0.978 104 D HN 0.253 nan 8.370 nan 0.000 0.488 105 A N 1.007 123.863 122.820 0.061 0.000 1.908 105 A HA -0.172 4.149 4.320 0.001 0.000 0.218 105 A C 2.286 179.929 177.584 0.098 0.000 1.181 105 A CA 1.291 53.367 52.037 0.066 0.000 0.627 105 A CB -0.598 18.443 19.000 0.068 0.000 0.818 105 A HN 0.241 nan 8.150 nan 0.000 0.445 106 M N -0.754 118.934 119.600 0.148 0.000 2.296 106 M HA -0.120 4.361 4.480 0.001 0.000 0.265 106 M C 2.331 178.795 176.300 0.273 0.000 1.064 106 M CA 1.209 56.638 55.300 0.215 0.000 1.109 106 M CB -0.265 32.463 32.600 0.213 0.000 1.396 106 M HN 0.500 nan 8.290 nan 0.000 0.430 107 A N -0.163 122.782 122.820 0.207 0.000 2.067 107 A HA 0.147 4.468 4.320 0.001 0.000 0.217 107 A C 2.236 179.807 177.584 -0.020 0.000 1.156 107 A CA 1.408 53.422 52.037 -0.039 0.000 0.683 107 A CB -0.509 18.337 19.000 -0.256 0.000 0.808 107 A HN 0.471 nan 8.150 nan 0.000 0.455 108 A N -0.180 122.653 122.820 0.021 0.000 1.935 108 A HA -0.004 4.317 4.320 0.001 0.000 0.214 108 A C 1.860 179.458 177.584 0.023 0.000 1.178 108 A CA 1.222 53.266 52.037 0.011 0.000 0.640 108 A CB -0.320 18.689 19.000 0.015 0.000 0.825 108 A HN 0.548 nan 8.150 nan 0.000 0.447 109 E N -0.185 120.043 120.200 0.047 0.000 2.051 109 E HA -0.135 4.216 4.350 0.001 0.000 0.192 109 E C 1.993 178.621 176.600 0.046 0.000 0.991 109 E CA 1.326 57.755 56.400 0.049 0.000 0.799 109 E CB -0.269 29.471 29.700 0.065 0.000 0.748 109 E HN 0.348 nan 8.360 nan 0.000 0.449 110 V N 1.424 121.375 119.914 0.062 0.000 2.252 110 V HA -0.346 3.775 4.120 0.001 0.000 0.249 110 V C 2.327 178.431 176.094 0.017 0.000 1.056 110 V CA 2.126 64.458 62.300 0.053 0.000 1.022 110 V CB -0.790 31.072 31.823 0.065 0.000 0.641 110 V HN 0.364 nan 8.190 nan 0.000 0.445 111 A N -0.144 122.674 122.820 -0.004 0.000 1.877 111 A HA -0.114 4.206 4.320 0.001 0.000 0.216 111 A C 2.410 179.992 177.584 -0.004 0.000 1.186 111 A CA 2.040 54.069 52.037 -0.013 0.000 0.620 111 A CB -0.994 17.989 19.000 -0.027 0.000 0.822 111 A HN 0.659 nan 8.150 nan 0.000 0.443 112 A N 0.174 122.995 122.820 0.002 0.000 2.148 112 A HA -0.103 4.217 4.320 0.001 0.000 0.222 112 A C 2.153 179.741 177.584 0.005 0.000 1.161 112 A CA 2.142 54.182 52.037 0.004 0.000 0.662 112 A CB -0.814 18.192 19.000 0.009 0.000 0.799 112 A HN 1.153 nan 8.150 nan 0.000 0.466 113 S N -2.185 113.520 115.700 0.009 0.000 2.614 113 S HA 0.419 4.890 4.470 0.001 0.000 0.230 113 S C 1.218 175.820 174.600 0.003 0.000 0.952 113 S CA 0.915 59.120 58.200 0.008 0.000 0.949 113 S CB -0.381 62.829 63.200 0.016 0.000 0.786 113 S HN 1.930 nan 8.310 nan 0.000 0.478 114 G N 0.446 109.246 108.800 -0.001 0.000 2.143 114 G HA2 -0.243 3.717 3.960 0.001 0.000 0.249 114 G HA3 -0.243 3.717 3.960 0.001 0.000 0.249 114 G C 0.010 174.906 174.900 -0.006 0.000 0.981 114 G CA 0.013 45.111 45.100 -0.004 0.000 0.665 114 G HN 0.753 nan 8.290 nan 0.000 0.528 115 V N 0.501 120.412 119.914 -0.004 0.000 2.470 115 V HA 0.411 4.531 4.120 0.001 0.000 0.276 115 V C 1.490 177.575 176.094 -0.015 0.000 1.040 115 V CA 1.010 63.307 62.300 -0.005 0.000 1.008 115 V CB 1.296 33.121 31.823 0.003 0.000 0.990 115 V HN 0.444 nan 8.190 nan 0.000 0.477 116 R N 2.593 123.083 120.500 -0.016 0.000 2.287 116 R HA 0.215 4.556 4.340 0.001 0.000 0.197 116 R C -0.063 176.222 176.300 -0.025 0.000 0.900 116 R CA 0.410 56.497 56.100 -0.021 0.000 1.052 116 R CB 0.787 31.076 30.300 -0.017 0.000 1.117 116 R HN 0.740 nan 8.270 nan 0.000 0.568 117 T N 0.450 114.992 114.554 -0.020 0.000 3.293 117 T HA 0.245 4.596 4.350 0.001 0.000 0.320 117 T C -1.323 173.369 174.700 -0.013 0.000 0.995 117 T CA -0.497 61.591 62.100 -0.020 0.000 1.041 117 T CB 2.220 71.078 68.868 -0.016 0.000 1.058 117 T HN -0.215 nan 8.240 nan 0.000 0.453 118 V N 4.553 124.456 119.914 -0.018 0.000 2.372 118 V HA 0.281 4.402 4.120 0.001 0.000 0.261 118 V C 1.532 177.621 176.094 -0.008 0.000 1.055 118 V CA -0.179 62.118 62.300 -0.005 0.000 0.930 118 V CB 0.673 32.489 31.823 -0.012 0.000 1.031 118 V HN 0.755 nan 8.190 nan 0.000 0.479 119 R N 3.214 123.716 120.500 0.005 0.000 2.161 119 R HA 0.111 4.452 4.340 0.001 0.000 0.213 119 R C 1.523 177.827 176.300 0.007 0.000 1.055 119 R CA 1.046 57.149 56.100 0.004 0.000 0.996 119 R CB 0.145 30.450 30.300 0.010 0.000 0.901 119 R HN 0.838 nan 8.270 nan 0.000 0.456 120 G N -0.683 108.127 108.800 0.018 0.000 3.411 120 G HA2 0.101 4.062 3.960 0.001 0.000 0.186 120 G HA3 0.101 4.062 3.960 0.001 0.000 0.186 120 G C -0.681 174.189 174.900 -0.049 0.000 1.766 120 G CA -0.372 44.737 45.100 0.015 0.000 0.971 120 G HN 0.125 nan 8.290 nan 0.000 0.590 121 D N -0.409 119.926 120.400 -0.109 0.000 2.299 121 D HA 0.446 5.087 4.640 0.001 0.000 0.243 121 D C -1.001 175.077 176.300 -0.371 0.000 0.982 121 D CA -0.361 53.450 54.000 -0.315 0.000 0.924 121 D CB 2.729 43.173 40.800 -0.593 0.000 1.238 121 D HN 0.175 nan 8.370 nan 0.000 0.484 122 L N 1.465 122.455 121.223 -0.388 0.000 2.296 122 L HA 0.367 4.708 4.340 0.001 0.000 0.286 122 L C -1.651 174.955 176.870 -0.440 0.000 1.023 122 L CA -0.317 54.350 54.840 -0.288 0.000 0.812 122 L CB 0.536 42.537 42.059 -0.097 0.000 1.223 122 L HN 0.243 nan 8.230 nan 0.000 0.421 123 Y N 3.684 123.800 120.300 -0.307 0.000 2.409 123 Y HA 0.744 5.295 4.550 0.001 0.000 0.339 123 Y C 0.314 176.111 175.900 -0.172 0.000 1.033 123 Y CA -0.777 57.125 58.100 -0.329 0.000 1.094 123 Y CB 1.995 40.044 38.460 -0.685 0.000 1.210 123 Y HN 0.744 nan 8.280 nan 0.000 0.456 124 A N 2.258 125.135 122.820 0.096 0.000 2.260 124 A HA 0.393 4.713 4.320 0.001 0.000 0.314 124 A C -1.125 176.519 177.584 0.099 0.000 1.257 124 A CA -0.533 51.546 52.037 0.070 0.000 0.871 124 A CB 0.303 19.326 19.000 0.038 0.000 1.166 124 A HN 0.662 nan 8.150 nan 0.000 0.522 125 D N 2.586 123.046 120.400 0.101 0.000 2.441 125 D HA 0.289 4.930 4.640 0.001 0.000 0.231 125 D C -0.699 175.629 176.300 0.047 0.000 1.073 125 D CA -0.350 53.714 54.000 0.106 0.000 0.850 125 D CB 1.216 42.117 40.800 0.169 0.000 1.062 125 D HN 0.498 nan 8.370 nan 0.000 0.524 126 D N 1.594 122.021 120.400 0.046 0.000 2.670 126 D HA -0.029 4.612 4.640 0.001 0.000 0.255 126 D C 0.951 177.291 176.300 0.065 0.000 1.286 126 D CA -0.241 53.778 54.000 0.032 0.000 0.830 126 D CB -0.233 40.583 40.800 0.027 0.000 1.065 126 D HN 0.262 nan 8.370 nan 0.000 0.486 127 T N -4.212 110.385 114.554 0.072 0.000 3.160 127 T HA -0.102 4.249 4.350 0.001 0.000 0.257 127 T C 1.287 176.055 174.700 0.113 0.000 1.147 127 T CA -0.258 61.884 62.100 0.071 0.000 1.064 127 T CB -0.764 68.125 68.868 0.034 0.000 0.949 127 T HN 0.405 nan 8.240 nan 0.000 0.526 128 W N 1.176 122.445 121.300 -0.052 0.000 2.465 128 W HA 0.183 4.843 4.660 0.001 0.000 0.268 128 W C -1.003 175.602 176.519 0.143 0.000 1.242 128 W CA 0.012 57.331 57.345 -0.043 0.000 1.248 128 W CB 0.038 29.399 29.460 -0.165 0.000 1.118 128 W HN 0.119 nan 8.180 nan 0.000 0.587 129 F N 1.383 121.320 119.950 -0.022 0.000 2.561 129 F HA 0.255 4.783 4.527 0.001 0.000 0.321 129 F C 0.513 176.243 175.800 -0.115 0.000 1.065 129 F CA -2.173 55.744 58.000 -0.137 0.000 0.934 129 F CB -0.208 38.736 39.000 -0.092 0.000 1.215 129 F HN -0.396 nan 8.300 nan 0.000 0.471 130 D N 0.202 120.611 120.400 0.016 0.000 2.622 130 D HA -0.101 4.540 4.640 0.001 0.000 0.222 130 D C 0.749 177.067 176.300 0.030 0.000 1.226 130 D CA 0.756 54.742 54.000 -0.023 0.000 0.874 130 D CB 0.515 41.245 40.800 -0.118 0.000 1.236 130 D HN 0.482 nan 8.370 nan 0.000 0.531 131 S N 0.245 115.962 115.700 0.030 0.000 2.574 131 S HA 0.086 4.557 4.470 0.001 0.000 0.242 131 S C 0.368 175.003 174.600 0.059 0.000 0.982 131 S CA -0.582 57.649 58.200 0.051 0.000 0.977 131 S CB 0.127 63.357 63.200 0.049 0.000 0.814 131 S HN 0.438 nan 8.310 nan 0.000 0.464 132 E N 1.629 121.862 120.200 0.056 0.000 2.052 132 E HA 0.237 4.588 4.350 0.001 0.000 0.283 132 E C 0.542 177.262 176.600 0.200 0.000 1.071 132 E CA -0.482 55.991 56.400 0.122 0.000 0.851 132 E CB 0.393 30.189 29.700 0.158 0.000 1.066 132 E HN 0.234 nan 8.360 nan 0.000 0.396 133 R N 2.792 123.407 120.500 0.191 0.000 2.156 133 R HA 0.210 4.551 4.340 0.001 0.000 0.207 133 R C 0.298 176.773 176.300 0.291 0.000 1.040 133 R CA 0.467 56.693 56.100 0.209 0.000 1.013 133 R CB 0.065 30.457 30.300 0.154 0.000 0.931 133 R HN 0.414 nan 8.270 nan 0.000 0.465 134 L N 0.026 121.342 121.223 0.155 0.000 2.388 134 L HA 0.404 4.745 4.340 0.001 0.000 0.264 134 L C -0.092 176.364 176.870 -0.690 0.000 0.998 134 L CA -0.985 53.758 54.840 -0.161 0.000 0.817 134 L CB 2.420 44.529 42.059 0.085 0.000 1.338 134 L HN -0.354 nan 8.230 nan 0.000 0.414 135 V N 1.104 119.969 119.914 -1.748 0.000 2.999 135 V HA -0.084 4.037 4.120 0.001 0.000 0.307 135 V C 0.798 176.410 176.094 -0.803 0.000 1.084 135 V CA 0.462 61.782 62.300 -1.633 0.000 1.155 135 V CB 1.010 31.543 31.823 -2.150 0.000 0.975 135 V HN 1.038 nan 8.190 nan 0.000 0.490 136 D N 2.152 122.254 120.400 -0.497 0.000 2.123 136 D HA -0.216 4.425 4.640 0.001 0.000 0.196 136 D C 1.118 177.367 176.300 -0.085 0.000 0.992 136 D CA 1.506 55.376 54.000 -0.217 0.000 0.833 136 D CB -0.297 40.413 40.800 -0.150 0.000 0.954 136 D HN 0.773 nan 8.370 nan 0.000 0.455 137 D N -1.566 118.791 120.400 -0.072 0.000 2.328 137 D HA -0.041 4.600 4.640 0.001 0.000 0.221 137 D C -0.307 176.178 176.300 0.308 0.000 1.072 137 D CA -0.646 53.425 54.000 0.118 0.000 0.850 137 D CB -0.595 40.258 40.800 0.090 0.000 0.922 137 D HN 0.188 nan 8.370 nan 0.000 0.516 138 W N 0.986 122.293 121.300 0.011 0.000 2.170 138 W HA 0.261 4.922 4.660 0.001 0.000 0.336 138 W C 0.383 177.032 176.519 0.216 0.000 1.283 138 W CA -1.191 56.164 57.345 0.015 0.000 1.224 138 W CB 0.062 29.512 29.460 -0.017 0.000 1.132 138 W HN -0.061 nan 8.180 nan 0.000 0.571 139 W N 3.707 125.134 121.300 0.212 0.000 2.315 139 W HA 0.225 4.885 4.660 0.001 0.000 0.316 139 W C -1.155 175.430 176.519 0.109 0.000 1.211 139 W CA -2.734 54.687 57.345 0.126 0.000 1.201 139 W CB -0.306 29.209 29.460 0.092 0.000 1.184 139 W HN 0.229 nan 8.180 nan 0.000 0.544 140 P HA -0.189 nan 4.420 nan 0.000 0.221 140 P C 0.950 178.327 177.300 0.128 0.000 1.145 140 P CA 1.665 64.861 63.100 0.159 0.000 0.795 140 P CB 0.487 32.241 31.700 0.090 0.000 0.775 141 E N -0.933 119.374 120.200 0.178 0.000 2.358 141 E HA -0.106 4.245 4.350 0.001 0.000 0.195 141 E C 1.444 178.159 176.600 0.192 0.000 1.010 141 E CA 0.721 57.218 56.400 0.161 0.000 0.856 141 E CB -0.597 29.218 29.700 0.193 0.000 0.795 141 E HN 0.268 nan 8.360 nan 0.000 0.504 142 D N 0.477 121.011 120.400 0.223 0.000 2.277 142 D HA -0.079 4.562 4.640 0.001 0.000 0.208 142 D C 1.196 177.440 176.300 -0.094 0.000 0.962 142 D CA 0.448 54.546 54.000 0.164 0.000 0.865 142 D CB 0.060 40.961 40.800 0.168 0.000 0.939 142 D HN 0.307 nan 8.370 nan 0.000 0.510 143 E N 0.342 120.499 120.200 -0.071 0.000 2.267 143 E HA -0.145 4.206 4.350 0.001 0.000 0.197 143 E C -0.874 175.583 176.600 -0.238 0.000 0.998 143 E CA 0.689 57.026 56.400 -0.103 0.000 0.830 143 E CB -0.460 29.236 29.700 -0.008 0.000 0.751 143 E HN 0.356 nan 8.360 nan 0.000 0.491 144 P HA -0.067 nan 4.420 nan 0.000 0.231 144 P C -0.396 176.541 177.300 -0.605 0.000 1.168 144 P CA 0.847 63.611 63.100 -0.560 0.000 0.779 144 P CB 0.056 31.312 31.700 -0.739 0.000 0.844 145 Y N -1.137 119.006 120.300 -0.261 0.000 2.335 145 Y HA 0.465 5.016 4.550 0.002 0.000 0.323 145 Y C 2.014 177.667 175.900 -0.410 0.000 1.224 145 Y CA -1.028 56.853 58.100 -0.364 0.000 1.241 145 Y CB 0.525 38.671 38.460 -0.524 0.000 1.235 145 Y HN -0.215 nan 8.280 nan 0.000 0.492 146 A N 1.776 124.555 122.820 -0.069 0.000 1.933 146 A HA -0.242 4.079 4.320 0.001 0.000 0.218 146 A C 1.655 179.209 177.584 -0.050 0.000 1.175 146 A CA 1.751 53.762 52.037 -0.044 0.000 0.628 146 A CB -1.277 17.730 19.000 0.013 0.000 0.814 146 A HN 0.932 nan 8.150 nan 0.000 0.444 147 Y N -1.962 118.344 120.300 0.009 0.000 2.680 147 Y HA 0.282 4.833 4.550 0.002 0.000 0.303 147 Y C 1.573 177.391 175.900 -0.137 0.000 1.166 147 Y CA 0.765 58.830 58.100 -0.058 0.000 1.344 147 Y CB -0.513 37.897 38.460 -0.083 0.000 1.002 147 Y HN 0.160 nan 8.280 nan 0.000 0.537 148 S N 0.086 115.611 115.700 -0.292 0.000 2.855 148 S HA 0.595 5.066 4.470 0.001 0.000 0.249 148 S C 0.476 175.064 174.600 -0.020 0.000 1.033 148 S CA -0.224 57.825 58.200 -0.251 0.000 1.038 148 S CB -0.861 62.135 63.200 -0.339 0.000 0.960 148 S HN 0.581 nan 8.310 nan 0.000 0.548 149 A N 1.741 124.573 122.820 0.021 0.000 2.546 149 A HA 0.286 4.607 4.320 0.001 0.000 0.243 149 A C 0.458 178.178 177.584 0.227 0.000 1.063 149 A CA 0.174 52.270 52.037 0.098 0.000 0.757 149 A CB -0.011 19.040 19.000 0.085 0.000 0.991 149 A HN 0.696 nan 8.150 nan 0.000 0.503 150 Q N 0.625 120.554 119.800 0.214 0.000 2.310 150 Q HA 0.015 4.355 4.340 0.001 0.000 0.315 150 Q C -0.234 175.907 176.000 0.236 0.000 1.081 150 Q CA 0.380 56.329 55.803 0.244 0.000 0.981 150 Q CB 0.303 29.143 28.738 0.172 0.000 1.184 150 Q HN 0.546 nan 8.270 nan 0.000 0.389 151 I N 1.695 122.419 120.570 0.256 0.000 2.365 151 I HA 0.261 4.432 4.170 0.001 0.000 0.291 151 I C 0.248 176.452 176.117 0.144 0.000 1.004 151 I CA 0.294 61.706 61.300 0.187 0.000 1.311 151 I CB 1.055 39.122 38.000 0.112 0.000 1.401 151 I HN 0.483 nan 8.210 nan 0.000 0.491 152 S N 3.559 119.368 115.700 0.182 0.000 2.550 152 S HA 0.685 5.156 4.470 0.001 0.000 0.270 152 S C 0.398 175.089 174.600 0.152 0.000 1.145 152 S CA 0.017 58.323 58.200 0.176 0.000 0.852 152 S CB 1.811 65.071 63.200 0.099 0.000 1.119 152 S HN 0.671 nan 8.310 nan 0.000 0.465 153 A N 2.701 125.499 122.820 -0.036 0.000 2.072 153 A HA 0.369 4.690 4.320 0.001 0.000 0.216 153 A C 0.653 178.091 177.584 -0.243 0.000 1.156 153 A CA 0.363 52.111 52.037 -0.483 0.000 0.701 153 A CB -0.178 18.385 19.000 -0.728 0.000 0.816 153 A HN 0.696 nan 8.150 nan 0.000 0.458 154 L N 1.120 122.277 121.223 -0.110 0.000 2.313 154 L HA 0.394 4.735 4.340 0.001 0.000 0.273 154 L C -0.859 175.987 176.870 -0.041 0.000 1.028 154 L CA 0.011 54.799 54.840 -0.086 0.000 0.871 154 L CB 1.117 43.134 42.059 -0.070 0.000 1.242 154 L HN 0.139 nan 8.230 nan 0.000 0.434 155 T N 2.918 117.449 114.554 -0.038 0.000 2.886 155 T HA 0.417 4.767 4.350 0.001 0.000 0.292 155 T C -0.676 174.028 174.700 0.006 0.000 1.012 155 T CA -0.299 61.802 62.100 0.003 0.000 0.982 155 T CB 1.751 70.647 68.868 0.046 0.000 1.018 155 T HN 0.136 nan 8.240 nan 0.000 0.451 156 V N 4.539 124.467 119.914 0.023 0.000 2.427 156 V HA 0.585 4.706 4.120 0.001 0.000 0.268 156 V C 0.812 176.968 176.094 0.105 0.000 1.046 156 V CA -0.569 61.759 62.300 0.046 0.000 0.970 156 V CB 0.507 32.355 31.823 0.041 0.000 1.001 156 V HN 1.043 nan 8.190 nan 0.000 0.476 157 A N 4.161 127.069 122.820 0.146 0.000 2.310 157 A HA 0.568 4.889 4.320 0.001 0.000 0.299 157 A C -0.372 177.353 177.584 0.236 0.000 1.147 157 A CA -0.400 51.782 52.037 0.241 0.000 0.818 157 A CB 0.160 19.382 19.000 0.371 0.000 1.096 157 A HN 0.999 nan 8.150 nan 0.000 0.495 158 H N 0.943 120.079 119.070 0.109 0.000 2.467 158 H HA 0.532 5.088 4.556 0.001 0.000 0.326 158 H C 0.785 176.091 175.328 -0.036 0.000 1.094 158 H CA 1.013 57.084 56.048 0.038 0.000 1.253 158 H CB 0.901 30.677 29.762 0.024 0.000 1.439 158 H HN 1.535 nan 8.280 nan 0.000 0.479 159 G N 3.459 111.999 108.800 -0.432 0.000 2.750 159 G HA2 -0.299 3.662 3.960 0.001 0.000 0.228 159 G HA3 -0.299 3.662 3.960 0.001 0.000 0.228 159 G C 0.700 175.316 174.900 -0.474 0.000 1.367 159 G CA 0.216 45.106 45.100 -0.350 0.000 0.871 159 G HN 0.877 nan 8.290 nan 0.000 0.560 160 E N -0.453 119.509 120.200 -0.397 0.000 2.489 160 E HA 0.127 4.478 4.350 0.001 0.000 0.193 160 E C 2.039 178.438 176.600 -0.335 0.000 1.057 160 E CA 0.417 56.514 56.400 -0.505 0.000 0.866 160 E CB 0.165 29.775 29.700 -0.150 0.000 0.916 160 E HN 0.533 nan 8.360 nan 0.000 0.500 161 R N -0.197 120.138 120.500 -0.276 0.000 2.280 161 R HA 0.148 4.489 4.340 0.001 0.000 0.195 161 R C -0.437 175.936 176.300 0.121 0.000 0.935 161 R CA 0.141 56.145 56.100 -0.159 0.000 1.033 161 R CB -0.112 29.929 30.300 -0.431 0.000 0.964 161 R HN 0.103 nan 8.270 nan 0.000 0.489 162 F N 1.310 121.348 119.950 0.147 0.000 2.890 162 F HA -0.217 4.311 4.527 0.001 0.000 0.333 162 F C -0.767 175.123 175.800 0.151 0.000 1.012 162 F CA 0.032 58.151 58.000 0.199 0.000 1.090 162 F CB -1.400 37.791 39.000 0.318 0.000 1.281 162 F HN 0.039 nan 8.300 nan 0.000 0.786 163 D N 1.554 122.076 120.400 0.202 0.000 2.339 163 D HA 0.204 4.845 4.640 0.001 0.000 0.256 163 D C 0.748 177.142 176.300 0.156 0.000 1.214 163 D CA 0.365 54.436 54.000 0.118 0.000 0.877 163 D CB 1.137 41.975 40.800 0.063 0.000 1.111 163 D HN 0.315 nan 8.370 nan 0.000 0.478 164 T N -1.401 113.232 114.554 0.132 0.000 2.882 164 T HA 0.497 4.848 4.350 0.001 0.000 0.287 164 T C 1.104 175.866 174.700 0.103 0.000 0.992 164 T CA -0.308 61.876 62.100 0.140 0.000 1.076 164 T CB 1.634 70.596 68.868 0.156 0.000 0.961 164 T HN 0.517 nan 8.240 nan 0.000 0.490 165 G N 0.977 109.835 108.800 0.095 0.000 2.198 165 G HA2 -0.050 3.911 3.960 0.001 0.000 0.257 165 G HA3 -0.050 3.911 3.960 0.001 0.000 0.257 165 G C -0.001 174.935 174.900 0.061 0.000 1.042 165 G CA 0.136 45.284 45.100 0.080 0.000 0.791 165 G HN 1.938 nan 8.290 nan 0.000 0.502 166 V N -3.840 116.105 119.914 0.050 0.000 3.007 166 V HA 0.962 5.083 4.120 0.001 0.000 0.311 166 V C -0.059 176.041 176.094 0.011 0.000 1.120 166 V CA -0.214 62.092 62.300 0.010 0.000 0.980 166 V CB 2.026 33.828 31.823 -0.036 0.000 1.033 166 V HN 0.704 nan 8.190 nan 0.000 0.429 167 T N 1.256 115.804 114.554 -0.009 0.000 2.912 167 T HA 0.482 4.832 4.350 0.001 0.000 0.288 167 T C -0.704 173.955 174.700 -0.067 0.000 1.030 167 T CA -0.352 61.750 62.100 0.004 0.000 1.020 167 T CB 1.586 70.481 68.868 0.045 0.000 1.056 167 T HN 1.109 nan 8.240 nan 0.000 0.480 168 E N 3.111 123.282 120.200 -0.050 0.000 2.081 168 E HA 0.490 4.841 4.350 0.001 0.000 0.281 168 E C -1.012 175.584 176.600 -0.007 0.000 0.986 168 E CA -0.668 55.688 56.400 -0.073 0.000 0.796 168 E CB 0.613 30.302 29.700 -0.018 0.000 1.085 168 E HN 0.363 nan 8.360 nan 0.000 0.398 169 V N 3.750 123.655 119.914 -0.014 0.000 2.439 169 V HA 0.323 4.444 4.120 0.001 0.000 0.282 169 V C -0.112 175.987 176.094 0.008 0.000 1.039 169 V CA -0.591 61.711 62.300 0.003 0.000 0.913 169 V CB 1.547 33.370 31.823 0.000 0.000 0.983 169 V HN 0.639 nan 8.190 nan 0.000 0.460 170 S N 3.243 118.952 115.700 0.014 0.000 2.502 170 S HA 0.706 5.177 4.470 0.001 0.000 0.304 170 S C -0.570 174.038 174.600 0.013 0.000 1.097 170 S CA -0.596 57.613 58.200 0.015 0.000 1.045 170 S CB 1.848 65.060 63.200 0.020 0.000 1.019 170 S HN 0.488 nan 8.310 nan 0.000 0.481 171 V N 2.977 122.898 119.914 0.012 0.000 2.444 171 V HA 0.607 4.728 4.120 0.001 0.000 0.294 171 V C -0.212 175.888 176.094 0.010 0.000 1.022 171 V CA -0.637 61.669 62.300 0.011 0.000 0.850 171 V CB 1.579 33.409 31.823 0.010 0.000 0.992 171 V HN 0.905 nan 8.190 nan 0.000 0.426 172 T N 6.205 120.765 114.554 0.010 0.000 2.863 172 T HA 0.553 4.904 4.350 0.001 0.000 0.285 172 T C -2.834 171.871 174.700 0.008 0.000 1.009 172 T CA -1.572 60.533 62.100 0.009 0.000 0.989 172 T CB 2.205 71.079 68.868 0.009 0.000 1.004 172 T HN 0.469 nan 8.240 nan 0.000 0.455 173 P HA 0.445 nan 4.420 nan 0.000 0.271 173 P C -0.604 176.700 177.300 0.006 0.000 1.218 173 P CA -0.261 62.843 63.100 0.006 0.000 0.780 173 P CB 0.826 32.529 31.700 0.006 0.000 0.901 174 A N 2.680 125.503 122.820 0.005 0.000 3.944 174 A HA 0.773 5.094 4.320 0.001 0.000 0.151 174 A C -0.019 177.567 177.584 0.004 0.000 1.301 174 A CA -0.199 51.840 52.037 0.005 0.000 1.020 174 A CB -0.310 18.692 19.000 0.005 0.000 1.627 174 A HN 0.542 nan 8.150 nan 0.000 0.661 175 A N 0.760 123.582 122.820 0.004 0.000 2.388 175 A HA 0.519 4.840 4.320 0.001 0.000 0.257 175 A C 0.120 177.706 177.584 0.003 0.000 1.095 175 A CA -0.458 51.581 52.037 0.003 0.000 0.791 175 A CB -0.172 18.830 19.000 0.003 0.000 1.029 175 A HN 0.628 nan 8.150 nan 0.000 0.489 176 E N 1.345 121.547 120.200 0.003 0.000 2.384 176 E HA 0.335 4.686 4.350 0.001 0.000 0.266 176 E C 0.914 177.516 176.600 0.003 0.000 1.012 176 E CA 0.437 56.839 56.400 0.003 0.000 0.901 176 E CB 0.231 29.933 29.700 0.003 0.000 0.967 176 E HN 1.638 nan 8.360 nan 0.000 0.435 177 G N 2.604 111.405 108.800 0.003 0.000 2.234 177 G HA2 -0.312 3.649 3.960 0.001 0.000 0.260 177 G HA3 -0.312 3.649 3.960 0.001 0.000 0.260 177 G C 0.056 174.958 174.900 0.002 0.000 0.987 177 G CA 0.517 45.618 45.100 0.002 0.000 0.625 177 G HN 0.556 nan 8.290 nan 0.000 0.532 178 E N 1.395 121.597 120.200 0.002 0.000 2.222 178 E HA 0.477 4.828 4.350 0.001 0.000 0.272 178 E C -2.242 174.360 176.600 0.003 0.000 0.982 178 E CA -2.268 54.134 56.400 0.002 0.000 0.842 178 E CB 1.306 31.007 29.700 0.002 0.000 1.144 178 E HN 0.045 nan 8.360 nan 0.000 0.397 179 P HA -0.178 nan 4.420 nan 0.000 0.270 179 P C -1.070 176.233 177.300 0.004 0.000 1.181 179 P CA 0.459 63.560 63.100 0.003 0.000 0.767 179 P CB 0.354 32.055 31.700 0.002 0.000 0.799 180 A N 2.064 124.886 122.820 0.004 0.000 2.286 180 A HA 0.280 4.601 4.320 0.001 0.000 0.286 180 A C -0.149 177.438 177.584 0.006 0.000 1.097 180 A CA -0.489 51.552 52.037 0.005 0.000 0.821 180 A CB 0.082 19.085 19.000 0.006 0.000 1.076 180 A HN 0.426 nan 8.150 nan 0.000 0.490 181 D N 1.141 121.545 120.400 0.007 0.000 2.346 181 D HA 0.362 5.002 4.640 0.001 0.000 0.260 181 D C -0.391 175.914 176.300 0.009 0.000 1.252 181 D CA 0.516 54.521 54.000 0.008 0.000 0.895 181 D CB 0.786 41.592 40.800 0.009 0.000 1.097 181 D HN 0.127 nan 8.370 nan 0.000 0.489 182 V N 2.937 122.856 119.914 0.009 0.000 2.483 182 V HA 0.307 4.428 4.120 0.001 0.000 0.295 182 V C 0.125 176.227 176.094 0.013 0.000 1.035 182 V CA -0.674 61.632 62.300 0.010 0.000 0.896 182 V CB 2.160 33.987 31.823 0.007 0.000 0.986 182 V HN 0.403 nan 8.190 nan 0.000 0.447 183 D N 3.359 123.768 120.400 0.016 0.000 2.757 183 D HA 0.383 5.024 4.640 0.001 0.000 0.249 183 D C 0.187 176.502 176.300 0.025 0.000 1.168 183 D CA -0.439 53.574 54.000 0.023 0.000 0.870 183 D CB 2.199 43.014 40.800 0.025 0.000 1.411 183 D HN 0.396 nan 8.370 nan 0.000 0.525 184 L N 3.024 124.265 121.223 0.030 0.000 2.611 184 L HA 0.284 4.625 4.340 0.001 0.000 0.229 184 L C 1.693 178.591 176.870 0.047 0.000 1.137 184 L CA 0.255 55.115 54.840 0.032 0.000 0.901 184 L CB -0.562 41.515 42.059 0.029 0.000 1.098 184 L HN 0.718 nan 8.230 nan 0.000 0.456 185 G N 0.971 109.803 108.800 0.055 0.000 2.556 185 G HA2 -0.441 3.520 3.960 0.001 0.000 0.283 185 G HA3 -0.441 3.520 3.960 0.001 0.000 0.283 185 G C 0.991 175.945 174.900 0.090 0.000 1.177 185 G CA 0.469 45.612 45.100 0.072 0.000 0.978 185 G HN 0.280 nan 8.290 nan 0.000 0.554 186 A N -0.387 122.497 122.820 0.105 0.000 1.948 186 A HA 0.225 4.546 4.320 0.001 0.000 0.220 186 A C 2.807 180.479 177.584 0.148 0.000 1.177 186 A CA 3.580 55.690 52.037 0.120 0.000 0.636 186 A CB -0.854 18.216 19.000 0.116 0.000 0.815 186 A HN 2.331 nan 8.150 nan 0.000 0.449 187 A N -0.575 122.318 122.820 0.122 0.000 2.251 187 A HA 0.182 4.503 4.320 0.001 0.000 0.209 187 A C 0.559 178.200 177.584 0.095 0.000 1.187 187 A CA -0.223 51.893 52.037 0.131 0.000 0.823 187 A CB -0.182 18.906 19.000 0.147 0.000 0.846 187 A HN 0.463 nan 8.150 nan 0.000 0.486 188 E N -0.160 120.104 120.200 0.108 0.000 2.558 188 E HA 0.171 4.522 4.350 0.001 0.000 0.255 188 E C 1.211 177.890 176.600 0.132 0.000 0.968 188 E CA 1.174 57.634 56.400 0.100 0.000 0.939 188 E CB 0.200 29.964 29.700 0.106 0.000 0.921 188 E HN 0.692 nan 8.360 nan 0.000 0.477 189 G N 2.931 111.769 108.800 0.065 0.000 2.168 189 G HA2 -0.360 3.601 3.960 0.001 0.000 0.263 189 G HA3 -0.360 3.601 3.960 0.001 0.000 0.263 189 G C 0.389 175.234 174.900 -0.090 0.000 0.977 189 G CA 0.913 46.053 45.100 0.067 0.000 0.659 189 G HN 0.634 nan 8.290 nan 0.000 0.533 190 Y N 0.266 120.338 120.300 -0.380 0.000 2.740 190 Y HA 0.700 5.251 4.550 0.001 0.000 0.257 190 Y C 1.744 177.533 175.900 -0.184 0.000 1.064 190 Y CA 1.315 59.161 58.100 -0.422 0.000 1.351 190 Y CB -0.189 37.892 38.460 -0.632 0.000 1.439 190 Y HN 0.643 nan 8.280 nan 0.000 0.488 191 A N 1.776 124.452 122.820 -0.239 0.000 2.351 191 A HA 0.298 4.619 4.320 0.001 0.000 0.257 191 A C -0.285 177.208 177.584 -0.152 0.000 1.087 191 A CA -0.408 51.482 52.037 -0.244 0.000 0.798 191 A CB 0.010 18.953 19.000 -0.096 0.000 1.033 191 A HN 0.490 nan 8.150 nan 0.000 0.488 192 E N 0.088 120.205 120.200 -0.139 0.000 2.249 192 E HA 0.340 4.691 4.350 0.001 0.000 0.280 192 E C -1.241 175.323 176.600 -0.059 0.000 1.016 192 E CA -0.585 55.762 56.400 -0.088 0.000 0.830 192 E CB 1.734 31.383 29.700 -0.086 0.000 1.081 192 E HN 0.484 nan 8.360 nan 0.000 0.395 193 L N 3.017 124.216 121.223 -0.039 0.000 2.289 193 L HA 0.265 4.606 4.340 0.001 0.000 0.285 193 L C -0.656 176.200 176.870 -0.023 0.000 1.049 193 L CA -0.095 54.730 54.840 -0.026 0.000 0.804 193 L CB 1.097 43.147 42.059 -0.015 0.000 1.195 193 L HN 0.301 nan 8.230 nan 0.000 0.428 194 D N 3.330 123.717 120.400 -0.021 0.000 2.438 194 D HA 0.192 4.833 4.640 0.001 0.000 0.257 194 D C -1.072 175.221 176.300 -0.012 0.000 1.148 194 D CA -0.308 53.681 54.000 -0.017 0.000 0.902 194 D CB 0.323 41.111 40.800 -0.021 0.000 1.062 194 D HN 0.435 nan 8.370 nan 0.000 0.518 195 N N 2.912 121.607 118.700 -0.008 0.000 2.437 195 N HA 0.247 4.988 4.740 0.001 0.000 0.243 195 N C -0.166 175.342 175.510 -0.003 0.000 1.041 195 N CA -0.076 52.971 53.050 -0.004 0.000 0.940 195 N CB 0.468 38.954 38.487 -0.002 0.000 1.133 195 N HN 0.378 nan 8.380 nan 0.000 0.506 196 R N 1.594 122.093 120.500 -0.002 0.000 2.629 196 R HA 0.355 4.696 4.340 0.001 0.000 0.408 196 R C -0.245 176.055 176.300 0.001 0.000 1.057 196 R CA -0.419 55.681 56.100 -0.001 0.000 1.119 196 R CB 0.791 31.089 30.300 -0.002 0.000 1.403 196 R HN 0.448 nan 8.270 nan 0.000 0.576 197 A N 0.701 123.522 122.820 0.002 0.000 2.286 197 A HA 0.564 4.885 4.320 0.001 0.000 0.286 197 A C -0.398 177.188 177.584 0.003 0.000 1.097 197 A CA -0.328 51.711 52.037 0.004 0.000 0.821 197 A CB 1.286 20.290 19.000 0.005 0.000 1.076 197 A HN 0.059 nan 8.150 nan 0.000 0.490 198 V N 0.270 120.187 119.914 0.004 0.000 2.914 198 V HA 0.606 4.727 4.120 0.001 0.000 0.314 198 V C -0.099 175.997 176.094 0.004 0.000 1.084 198 V CA -0.419 61.883 62.300 0.004 0.000 0.963 198 V CB 2.483 34.308 31.823 0.003 0.000 1.025 198 V HN 0.962 nan 8.190 nan 0.000 0.432 199 T N 4.690 119.246 114.554 0.004 0.000 2.729 199 T HA 0.520 4.871 4.350 0.001 0.000 0.296 199 T C 0.337 175.039 174.700 0.004 0.000 0.928 199 T CA 0.388 62.491 62.100 0.004 0.000 1.045 199 T CB 0.785 69.656 68.868 0.004 0.000 0.902 199 T HN 1.064 nan 8.240 nan 0.000 0.500 200 G N 1.717 110.519 108.800 0.004 0.000 2.562 200 G HA2 0.564 4.525 3.960 0.001 0.000 0.275 200 G HA3 0.564 4.525 3.960 0.001 0.000 0.275 200 G C 0.074 174.976 174.900 0.003 0.000 1.196 200 G CA -0.893 44.209 45.100 0.004 0.000 0.908 200 G HN 0.985 nan 8.290 nan 0.000 0.524 201 A N -0.045 122.776 122.820 0.003 0.000 2.498 201 A HA 0.562 4.883 4.320 0.001 0.000 0.239 201 A C 1.129 178.715 177.584 0.003 0.000 1.068 201 A CA 0.384 52.422 52.037 0.003 0.000 0.766 201 A CB -0.181 18.820 19.000 0.002 0.000 1.003 201 A HN 1.981 nan 8.150 nan 0.000 0.497 202 A N 1.243 124.064 122.820 0.003 0.000 2.565 202 A HA 0.456 4.777 4.320 0.001 0.000 0.237 202 A C 1.654 179.240 177.584 0.002 0.000 1.053 202 A CA 0.883 52.922 52.037 0.003 0.000 0.755 202 A CB -0.789 18.213 19.000 0.003 0.000 0.980 202 A HN 2.802 nan 8.150 nan 0.000 0.506 203 G N 1.302 110.103 108.800 0.003 0.000 2.148 203 G HA2 -0.144 3.817 3.960 0.001 0.000 0.254 203 G HA3 -0.144 3.817 3.960 0.001 0.000 0.254 203 G C 0.478 175.380 174.900 0.002 0.000 0.981 203 G CA 1.019 46.121 45.100 0.002 0.000 0.670 203 G HN 2.150 nan 8.290 nan 0.000 0.528 204 S N -0.540 115.161 115.700 0.003 0.000 2.730 204 S HA 0.866 5.337 4.470 0.001 0.000 0.284 204 S C 0.673 175.275 174.600 0.003 0.000 1.153 204 S CA 0.218 58.419 58.200 0.003 0.000 0.995 204 S CB 1.926 65.128 63.200 0.003 0.000 1.058 204 S HN 1.882 nan 8.310 nan 0.000 0.552 205 A N 1.423 124.245 122.820 0.003 0.000 2.498 205 A HA 0.294 4.615 4.320 0.001 0.000 0.239 205 A C 0.407 177.993 177.584 0.004 0.000 1.068 205 A CA -0.372 51.667 52.037 0.004 0.000 0.766 205 A CB -0.516 18.487 19.000 0.004 0.000 1.003 205 A HN 0.785 nan 8.150 nan 0.000 0.497 206 N N 1.648 120.351 118.700 0.005 0.000 2.437 206 N HA 0.152 4.893 4.740 0.001 0.000 0.243 206 N C 0.372 175.887 175.510 0.007 0.000 1.041 206 N CA 0.425 53.478 53.050 0.006 0.000 0.940 206 N CB 0.665 39.156 38.487 0.006 0.000 1.133 206 N HN 0.620 nan 8.380 nan 0.000 0.506 207 T N 1.157 115.716 114.554 0.008 0.000 3.248 207 T HA 0.186 4.537 4.350 0.001 0.000 0.271 207 T C 0.606 175.314 174.700 0.013 0.000 1.005 207 T CA -0.557 61.549 62.100 0.010 0.000 0.902 207 T CB -0.234 68.639 68.868 0.009 0.000 1.102 207 T HN 0.242 nan 8.240 nan 0.000 0.548 208 L N 2.192 123.423 121.223 0.013 0.000 2.416 208 L HA 0.552 4.893 4.340 0.001 0.000 0.272 208 L C -0.711 176.172 176.870 0.022 0.000 1.161 208 L CA 0.086 54.935 54.840 0.015 0.000 0.845 208 L CB 0.860 42.927 42.059 0.014 0.000 1.119 208 L HN 0.158 nan 8.230 nan 0.000 0.464 209 V N 6.665 126.594 119.914 0.024 0.000 2.612 209 V HA 0.430 4.551 4.120 0.001 0.000 0.301 209 V C -0.380 175.734 176.094 0.033 0.000 1.059 209 V CA -0.462 61.860 62.300 0.036 0.000 0.886 209 V CB 1.785 33.630 31.823 0.035 0.000 1.007 209 V HN 0.578 nan 8.190 nan 0.000 0.426 210 I N 3.979 124.577 120.570 0.046 0.000 2.378 210 I HA 0.650 4.821 4.170 0.001 0.000 0.291 210 I C -0.693 175.439 176.117 0.025 0.000 0.992 210 I CA -0.195 61.124 61.300 0.032 0.000 1.154 210 I CB 1.899 39.917 38.000 0.030 0.000 1.315 210 I HN 0.539 nan 8.210 nan 0.000 0.448 211 D N 4.308 124.700 120.400 -0.014 0.000 2.579 211 D HA 0.470 5.111 4.640 0.001 0.000 0.257 211 D C -1.070 175.182 176.300 -0.081 0.000 1.176 211 D CA -0.743 53.225 54.000 -0.054 0.000 0.914 211 D CB 2.400 43.183 40.800 -0.028 0.000 1.431 211 D HN 0.437 nan 8.370 nan 0.000 0.454 212 R N 1.466 121.897 120.500 -0.114 0.000 2.680 212 R HA 0.374 4.715 4.340 0.001 0.000 0.278 212 R C -2.493 173.756 176.300 -0.084 0.000 1.582 212 R CA -1.545 54.497 56.100 -0.096 0.000 1.177 212 R CB 1.178 31.411 30.300 -0.111 0.000 1.232 212 R HN 0.235 nan 8.270 nan 0.000 0.528 213 P HA -0.171 nan 4.420 nan 0.000 0.261 213 P C 0.211 177.486 177.300 -0.041 0.000 1.158 213 P CA 0.259 63.333 63.100 -0.043 0.000 0.758 213 P CB 0.515 32.195 31.700 -0.034 0.000 0.763 214 V N 4.134 124.030 119.914 -0.031 0.000 2.678 214 V HA 0.104 4.225 4.120 0.001 0.000 0.304 214 V C 1.534 177.619 176.094 -0.014 0.000 1.086 214 V CA 2.052 64.341 62.300 -0.018 0.000 1.246 214 V CB -0.761 31.060 31.823 -0.003 0.000 0.861 214 V HN 1.064 nan 8.190 nan 0.000 0.491 215 G N 3.483 112.277 108.800 -0.010 0.000 2.159 215 G HA2 -0.223 3.737 3.960 0.001 0.000 0.256 215 G HA3 -0.223 3.737 3.960 0.001 0.000 0.256 215 G C 0.244 175.133 174.900 -0.019 0.000 0.977 215 G CA 0.820 45.917 45.100 -0.006 0.000 0.652 215 G HN 1.728 nan 8.290 nan 0.000 0.531 216 T N -3.130 111.405 114.554 -0.031 0.000 2.905 216 T HA 0.660 5.011 4.350 0.001 0.000 0.283 216 T C 0.204 174.866 174.700 -0.063 0.000 1.031 216 T CA -0.135 61.937 62.100 -0.047 0.000 1.002 216 T CB 2.024 70.862 68.868 -0.049 0.000 1.200 216 T HN 0.128 nan 8.240 nan 0.000 0.560 217 N N -0.331 118.312 118.700 -0.094 0.000 2.416 217 N HA 0.281 5.022 4.740 0.001 0.000 0.267 217 N C -1.039 174.390 175.510 -0.135 0.000 1.294 217 N CA -0.288 52.681 53.050 -0.135 0.000 0.891 217 N CB 0.413 38.759 38.487 -0.234 0.000 1.238 217 N HN 0.649 nan 8.380 nan 0.000 0.508 218 T N 1.037 115.535 114.554 -0.093 0.000 2.794 218 T HA 0.408 4.759 4.350 0.001 0.000 0.280 218 T C -0.065 174.598 174.700 -0.063 0.000 0.987 218 T CA -0.425 61.629 62.100 -0.077 0.000 0.993 218 T CB 1.117 69.948 68.868 -0.062 0.000 0.939 218 T HN -0.021 nan 8.240 nan 0.000 0.449 219 I N 3.211 123.749 120.570 -0.053 0.000 2.304 219 I HA 0.444 4.615 4.170 0.001 0.000 0.291 219 I C 0.408 176.506 176.117 -0.031 0.000 1.018 219 I CA -0.779 60.496 61.300 -0.041 0.000 1.260 219 I CB 0.623 38.605 38.000 -0.030 0.000 1.390 219 I HN 0.650 nan 8.210 nan 0.000 0.475 220 A N 7.615 130.418 122.820 -0.029 0.000 2.256 220 A HA 0.641 4.962 4.320 0.001 0.000 0.317 220 A C -0.321 177.257 177.584 -0.010 0.000 1.318 220 A CA -0.474 51.551 52.037 -0.020 0.000 0.894 220 A CB 0.677 19.664 19.000 -0.022 0.000 1.165 220 A HN 0.442 nan 8.150 nan 0.000 0.525 221 V N 3.040 122.951 119.914 -0.006 0.000 2.439 221 V HA 0.723 4.844 4.120 0.001 0.000 0.282 221 V C 0.612 176.708 176.094 0.003 0.000 1.039 221 V CA 0.113 62.414 62.300 0.001 0.000 0.913 221 V CB 1.119 32.944 31.823 0.002 0.000 0.983 221 V HN 1.084 nan 8.190 nan 0.000 0.460 222 T N 0.772 115.330 114.554 0.007 0.000 2.841 222 T HA 0.910 5.261 4.350 0.001 0.000 0.296 222 T C 0.059 174.765 174.700 0.010 0.000 1.166 222 T CA 0.056 62.160 62.100 0.007 0.000 1.007 222 T CB 1.800 70.673 68.868 0.007 0.000 1.253 222 T HN 1.997 nan 8.240 nan 0.000 0.511 223 G N 0.475 109.280 108.800 0.008 0.000 2.545 223 G HA2 0.247 4.207 3.960 0.001 0.000 0.216 223 G HA3 0.247 4.207 3.960 0.001 0.000 0.216 223 G C -0.327 174.577 174.900 0.007 0.000 1.314 223 G CA -0.095 45.010 45.100 0.009 0.000 0.906 223 G HN 1.821 nan 8.290 nan 0.000 0.563 224 S N -1.066 114.638 115.700 0.008 0.000 2.614 224 S HA 0.611 5.082 4.470 0.001 0.000 0.288 224 S C -0.998 173.606 174.600 0.007 0.000 1.137 224 S CA -0.285 57.919 58.200 0.006 0.000 0.992 224 S CB 1.303 64.506 63.200 0.005 0.000 1.026 224 S HN 1.692 nan 8.310 nan 0.000 0.486 225 L N 7.071 128.298 121.223 0.006 0.000 2.280 225 L HA 0.665 5.006 4.340 0.001 0.000 0.287 225 L C -2.521 174.352 176.870 0.006 0.000 1.023 225 L CA -1.790 53.053 54.840 0.007 0.000 0.819 225 L CB 1.110 43.173 42.059 0.007 0.000 1.212 225 L HN 0.400 nan 8.230 nan 0.000 0.420 226 P HA 0.108 nan 4.420 nan 0.000 0.269 226 P C 0.162 177.464 177.300 0.004 0.000 1.209 226 P CA 0.034 63.137 63.100 0.004 0.000 0.776 226 P CB 0.785 32.488 31.700 0.004 0.000 0.876 227 A N 3.217 126.040 122.820 0.004 0.000 1.948 227 A HA -0.213 4.107 4.320 0.001 0.000 0.220 227 A C 1.300 178.886 177.584 0.004 0.000 1.177 227 A CA 2.210 54.249 52.037 0.004 0.000 0.636 227 A CB -1.252 17.750 19.000 0.003 0.000 0.815 227 A HN 0.660 nan 8.150 nan 0.000 0.449 228 D N -0.612 119.790 120.400 0.004 0.000 2.370 228 D HA 0.440 5.081 4.640 0.001 0.000 0.230 228 D C 0.243 176.546 176.300 0.004 0.000 1.143 228 D CA 0.444 54.446 54.000 0.004 0.000 0.834 228 D CB -0.461 40.341 40.800 0.003 0.000 0.944 228 D HN 0.370 nan 8.370 nan 0.000 0.504 229 A N 0.314 123.136 122.820 0.004 0.000 2.305 229 A HA 0.697 5.018 4.320 0.001 0.000 0.322 229 A C 0.482 178.069 177.584 0.005 0.000 1.187 229 A CA -0.483 51.556 52.037 0.005 0.000 0.825 229 A CB 0.903 19.906 19.000 0.005 0.000 1.164 229 A HN 0.325 nan 8.150 nan 0.000 0.498 230 A N 3.518 126.341 122.820 0.005 0.000 2.520 230 A HA 0.506 4.827 4.320 0.001 0.000 0.235 230 A C -2.054 175.534 177.584 0.007 0.000 1.065 230 A CA -0.692 51.348 52.037 0.006 0.000 0.764 230 A CB -0.850 18.154 19.000 0.006 0.000 1.002 230 A HN 0.657 nan 8.150 nan 0.000 0.502 231 P HA 0.183 nan 4.420 nan 0.000 0.269 231 P C -0.693 176.612 177.300 0.009 0.000 1.211 231 P CA -0.062 63.043 63.100 0.009 0.000 0.781 231 P CB 0.344 32.050 31.700 0.010 0.000 0.877 232 V N 2.440 122.360 119.914 0.010 0.000 2.483 232 V HA 0.445 4.566 4.120 0.001 0.000 0.295 232 V C 0.064 176.164 176.094 0.010 0.000 1.035 232 V CA 0.023 62.329 62.300 0.010 0.000 0.896 232 V CB 1.779 33.608 31.823 0.011 0.000 0.986 232 V HN 0.544 nan 8.190 nan 0.000 0.447 233 T N 3.934 118.493 114.554 0.009 0.000 2.937 233 T HA 0.763 5.114 4.350 0.001 0.000 0.297 233 T C -0.533 174.166 174.700 -0.001 0.000 0.991 233 T CA -0.360 61.743 62.100 0.006 0.000 0.990 233 T CB 1.570 70.444 68.868 0.010 0.000 0.991 233 T HN 0.958 nan 8.240 nan 0.000 0.440 234 A N 3.295 126.111 122.820 -0.006 0.000 2.486 234 A HA 0.820 5.141 4.320 0.001 0.000 0.300 234 A C -0.991 176.573 177.584 -0.034 0.000 1.048 234 A CA -0.806 51.229 52.037 -0.004 0.000 0.696 234 A CB 1.055 20.070 19.000 0.025 0.000 1.278 234 A HN 0.812 nan 8.150 nan 0.000 0.405 235 L N 2.812 124.003 121.223 -0.052 0.000 2.319 235 L HA 0.505 4.846 4.340 0.001 0.000 0.280 235 L C 0.209 177.058 176.870 -0.035 0.000 1.099 235 L CA -0.409 54.376 54.840 -0.093 0.000 0.828 235 L CB 0.405 42.383 42.059 -0.136 0.000 1.150 235 L HN 0.572 nan 8.230 nan 0.000 0.442 236 R N 1.192 121.663 120.500 -0.048 0.000 2.750 236 R HA 0.461 4.802 4.340 0.001 0.000 0.281 236 R C -0.230 176.041 176.300 -0.048 0.000 0.972 236 R CA -0.737 55.332 56.100 -0.051 0.000 0.912 236 R CB 2.033 32.303 30.300 -0.051 0.000 1.187 236 R HN 0.699 nan 8.270 nan 0.000 0.464 237 T N -1.702 112.813 114.554 -0.066 0.000 2.828 237 T HA 0.448 4.799 4.350 0.001 0.000 0.290 237 T C 0.715 175.417 174.700 0.004 0.000 1.019 237 T CA -0.644 61.440 62.100 -0.027 0.000 1.031 237 T CB 0.822 69.665 68.868 -0.042 0.000 1.001 237 T HN 0.358 nan 8.240 nan 0.000 0.531 238 V N -1.435 118.513 119.914 0.055 0.000 2.864 238 V HA 0.614 4.735 4.120 0.001 0.000 0.314 238 V C -0.410 175.752 176.094 0.114 0.000 1.073 238 V CA -1.345 61.019 62.300 0.106 0.000 0.956 238 V CB 1.537 33.503 31.823 0.238 0.000 1.023 238 V HN 0.948 nan 8.190 nan 0.000 0.435 239 D N 2.210 122.669 120.400 0.099 0.000 2.389 239 D HA 0.192 4.833 4.640 0.001 0.000 0.247 239 D C 0.109 176.522 176.300 0.188 0.000 1.128 239 D CA 0.811 54.871 54.000 0.099 0.000 0.884 239 D CB 0.322 41.141 40.800 0.031 0.000 1.194 239 D HN 0.785 nan 8.370 nan 0.000 0.441 240 E N 2.528 122.819 120.200 0.153 0.000 2.811 240 E HA -0.154 4.197 4.350 0.001 0.000 0.150 240 E C -1.905 174.782 176.600 0.145 0.000 1.823 240 E CA 0.081 56.576 56.400 0.158 0.000 0.661 240 E CB -0.753 29.052 29.700 0.176 0.000 1.086 240 E HN 0.505 nan 8.360 nan 0.000 0.354 241 P HA -0.185 nan 4.420 nan 0.000 0.216 241 P C 1.308 178.609 177.300 0.002 0.000 1.150 241 P CA 2.080 65.213 63.100 0.055 0.000 0.837 241 P CB 0.193 31.936 31.700 0.071 0.000 0.786 242 A N -0.010 122.823 122.820 0.022 0.000 1.969 242 A HA -0.044 4.277 4.320 0.001 0.000 0.218 242 A C 2.286 179.858 177.584 -0.020 0.000 1.169 242 A CA 1.789 53.827 52.037 0.002 0.000 0.635 242 A CB -1.493 17.523 19.000 0.026 0.000 0.810 242 A HN 0.202 nan 8.150 nan 0.000 0.445 243 A N -0.848 121.967 122.820 -0.008 0.000 2.067 243 A HA 0.079 4.400 4.320 0.001 0.000 0.219 243 A C 2.043 179.405 177.584 -0.370 0.000 1.158 243 A CA 1.515 53.524 52.037 -0.046 0.000 0.661 243 A CB -0.397 18.696 19.000 0.155 0.000 0.801 243 A HN 0.587 nan 8.150 nan 0.000 0.452 244 L N -0.757 120.181 121.223 -0.474 0.000 2.127 244 L HA 0.172 4.513 4.340 0.001 0.000 0.203 244 L C 2.638 179.404 176.870 -0.173 0.000 1.080 244 L CA 1.762 56.274 54.840 -0.546 0.000 0.768 244 L CB -0.674 41.137 42.059 -0.413 0.000 0.924 244 L HN 0.282 nan 8.230 nan 0.000 0.444 245 A N -0.228 122.534 122.820 -0.096 0.000 1.917 245 A HA -0.171 4.149 4.320 0.001 0.000 0.219 245 A C 2.291 179.875 177.584 -0.000 0.000 1.182 245 A CA 1.883 53.895 52.037 -0.041 0.000 0.633 245 A CB -1.646 17.320 19.000 -0.057 0.000 0.819 245 A HN 0.542 nan 8.150 nan 0.000 0.448 246 G N -1.422 107.372 108.800 -0.010 0.000 2.414 246 G HA2 -0.265 3.696 3.960 0.001 0.000 0.215 246 G HA3 -0.265 3.696 3.960 0.001 0.000 0.215 246 G C 1.448 176.390 174.900 0.070 0.000 1.188 246 G CA 1.386 46.515 45.100 0.048 0.000 0.783 246 G HN 0.749 nan 8.290 nan 0.000 0.537 247 H N 0.668 119.685 119.070 -0.089 0.000 2.289 247 H HA -0.049 4.508 4.556 0.001 0.000 0.294 247 H C 2.566 177.880 175.328 -0.022 0.000 1.095 247 H CA 1.946 57.950 56.048 -0.073 0.000 1.256 247 H CB -0.358 29.297 29.762 -0.179 0.000 1.359 247 H HN 0.258 nan 8.280 nan 0.000 0.487 248 L N -1.140 120.082 121.223 -0.002 0.000 2.012 248 L HA -0.188 4.153 4.340 0.001 0.000 0.210 248 L C 2.347 179.234 176.870 0.028 0.000 1.073 248 L CA 1.352 56.186 54.840 -0.009 0.000 0.748 248 L CB -0.578 41.512 42.059 0.051 0.000 0.891 248 L HN 0.286 nan 8.230 nan 0.000 0.431 249 F N 1.027 120.925 119.950 -0.087 0.000 2.095 249 F HA -0.256 4.272 4.527 0.001 0.000 0.298 249 F C 2.637 178.386 175.800 -0.085 0.000 1.104 249 F CA 1.873 59.830 58.000 -0.072 0.000 1.232 249 F CB -0.370 38.600 39.000 -0.050 0.000 0.987 249 F HN 0.132 nan 8.300 nan 0.000 0.475 250 E N 0.093 120.237 120.200 -0.094 0.000 2.097 250 E HA -0.279 4.072 4.350 0.001 0.000 0.196 250 E C 2.100 178.558 176.600 -0.236 0.000 1.000 250 E CA 1.905 58.188 56.400 -0.195 0.000 0.804 250 E CB -0.209 29.408 29.700 -0.138 0.000 0.740 250 E HN 0.588 nan 8.360 nan 0.000 0.454 251 E N -0.260 119.807 120.200 -0.222 0.000 2.106 251 E HA -0.144 4.207 4.350 0.001 0.000 0.192 251 E C 2.016 178.515 176.600 -0.169 0.000 0.984 251 E CA 0.737 57.022 56.400 -0.192 0.000 0.806 251 E CB -0.092 29.488 29.700 -0.200 0.000 0.750 251 E HN 0.321 nan 8.360 nan 0.000 0.458 252 A N 1.245 123.957 122.820 -0.181 0.000 1.902 252 A HA -0.183 4.138 4.320 0.001 0.000 0.217 252 A C 2.167 179.594 177.584 -0.261 0.000 1.181 252 A CA 1.063 52.992 52.037 -0.180 0.000 0.623 252 A CB -0.664 18.259 19.000 -0.129 0.000 0.818 252 A HN 0.127 nan 8.150 nan 0.000 0.443 253 L N -1.129 119.847 121.223 -0.411 0.000 1.970 253 L HA -0.236 4.105 4.340 0.001 0.000 0.212 253 L C 2.697 179.442 176.870 -0.207 0.000 1.071 253 L CA 1.946 56.566 54.840 -0.366 0.000 0.751 253 L CB -0.563 41.242 42.059 -0.422 0.000 0.889 253 L HN 0.377 nan 8.230 nan 0.000 0.432 254 E N -0.405 119.689 120.200 -0.177 0.000 2.171 254 E HA -0.250 4.101 4.350 0.001 0.000 0.197 254 E C 2.306 178.848 176.600 -0.097 0.000 0.997 254 E CA 1.516 57.844 56.400 -0.120 0.000 0.810 254 E CB -0.148 29.486 29.700 -0.110 0.000 0.738 254 E HN 0.296 nan 8.360 nan 0.000 0.467 255 S N -0.416 115.221 115.700 -0.105 0.000 2.406 255 S HA -0.024 4.447 4.470 0.001 0.000 0.228 255 S C 1.101 175.660 174.600 -0.068 0.000 1.020 255 S CA 0.792 58.945 58.200 -0.078 0.000 0.965 255 S CB -0.165 62.990 63.200 -0.076 0.000 0.798 255 S HN 0.297 nan 8.310 nan 0.000 0.488 256 N N 0.658 119.309 118.700 -0.083 0.000 2.327 256 N HA 0.190 4.931 4.740 0.001 0.000 0.231 256 N C 0.825 176.298 175.510 -0.062 0.000 1.130 256 N CA 0.579 53.590 53.050 -0.066 0.000 0.845 256 N CB 0.661 39.108 38.487 -0.067 0.000 1.073 256 N HN 0.539 nan 8.380 nan 0.000 0.496 257 G N 0.439 109.201 108.800 -0.063 0.000 2.143 257 G HA2 -0.259 3.702 3.960 0.001 0.000 0.248 257 G HA3 -0.259 3.702 3.960 0.001 0.000 0.248 257 G C -0.039 174.827 174.900 -0.056 0.000 0.991 257 G CA -0.086 44.982 45.100 -0.053 0.000 0.689 257 G HN 0.212 nan 8.290 nan 0.000 0.522 258 V N 2.097 121.965 119.914 -0.077 0.000 2.333 258 V HA 0.482 4.603 4.120 0.001 0.000 0.274 258 V C 0.739 176.783 176.094 -0.083 0.000 1.028 258 V CA 0.013 62.267 62.300 -0.078 0.000 0.851 258 V CB 1.265 33.029 31.823 -0.099 0.000 1.000 258 V HN 0.359 nan 8.190 nan 0.000 0.456 259 T N 4.530 119.047 114.554 -0.061 0.000 2.832 259 T HA 0.420 4.771 4.350 0.001 0.000 0.296 259 T C -0.019 174.646 174.700 -0.058 0.000 0.968 259 T CA -0.342 61.723 62.100 -0.058 0.000 1.107 259 T CB 1.320 70.163 68.868 -0.041 0.000 0.916 259 T HN 0.318 nan 8.240 nan 0.000 0.517 260 V N 4.860 124.733 119.914 -0.067 0.000 2.370 260 V HA 0.248 4.369 4.120 0.001 0.000 0.279 260 V C 1.106 177.170 176.094 -0.050 0.000 1.029 260 V CA -0.561 61.700 62.300 -0.064 0.000 0.870 260 V CB 1.306 33.080 31.823 -0.082 0.000 0.984 260 V HN 0.844 nan 8.190 nan 0.000 0.451 261 K N 3.026 123.401 120.400 -0.041 0.000 2.308 261 K HA 0.203 4.524 4.320 0.001 0.000 0.197 261 K C 1.238 177.818 176.600 -0.033 0.000 1.049 261 K CA 0.732 57.001 56.287 -0.031 0.000 0.991 261 K CB 0.709 33.197 32.500 -0.021 0.000 0.836 261 K HN 0.756 nan 8.250 nan 0.000 0.500 262 G N 1.234 110.006 108.800 -0.047 0.000 3.022 262 G HA2 0.122 4.083 3.960 0.001 0.000 0.157 262 G HA3 0.122 4.083 3.960 0.001 0.000 0.157 262 G C -0.371 174.488 174.900 -0.069 0.000 1.468 262 G CA -0.249 44.818 45.100 -0.056 0.000 1.058 262 G HN -0.027 nan 8.290 nan 0.000 0.581 263 D N -1.305 119.032 120.400 -0.105 0.000 2.497 263 D HA 0.541 5.182 4.640 0.001 0.000 0.243 263 D C -0.747 175.460 176.300 -0.155 0.000 1.039 263 D CA -0.189 53.753 54.000 -0.096 0.000 1.052 263 D CB 2.315 43.074 40.800 -0.069 0.000 1.344 263 D HN 0.092 nan 8.370 nan 0.000 0.553 264 V N -0.160 119.699 119.914 -0.091 0.000 2.555 264 V HA 0.851 4.972 4.120 0.001 0.000 0.302 264 V C 0.555 176.627 176.094 -0.036 0.000 1.038 264 V CA -0.437 61.810 62.300 -0.088 0.000 0.887 264 V CB 1.476 33.298 31.823 -0.002 0.000 0.991 264 V HN 0.786 nan 8.190 nan 0.000 0.434 265 G N 2.721 111.497 108.800 -0.041 0.000 2.606 265 G HA2 0.603 4.564 3.960 0.001 0.000 0.300 265 G HA3 0.603 4.564 3.960 0.001 0.000 0.300 265 G C -1.610 173.379 174.900 0.149 0.000 1.360 265 G CA -0.944 44.200 45.100 0.073 0.000 0.783 265 G HN 0.583 nan 8.290 nan 0.000 0.484 266 L N 0.044 121.367 121.223 0.166 0.000 2.418 266 L HA 0.732 5.073 4.340 0.001 0.000 0.265 266 L C 0.801 177.785 176.870 0.191 0.000 1.143 266 L CA -0.028 54.906 54.840 0.157 0.000 0.809 266 L CB 1.375 43.498 42.059 0.107 0.000 1.124 266 L HN 1.027 nan 8.230 nan 0.000 0.456 267 G N 0.492 109.361 108.800 0.116 0.000 2.405 267 G HA2 0.438 4.399 3.960 0.001 0.000 0.303 267 G HA3 0.438 4.399 3.960 0.001 0.000 0.303 267 G C -1.165 173.781 174.900 0.078 0.000 1.644 267 G CA -0.344 44.739 45.100 -0.027 0.000 0.899 267 G HN 0.825 nan 8.290 nan 0.000 0.667 268 G N -0.429 108.383 108.800 0.020 0.000 2.389 268 G HA2 0.648 4.608 3.960 0.001 0.000 0.328 268 G HA3 0.648 4.608 3.960 0.001 0.000 0.328 268 G C 0.201 174.953 174.900 -0.248 0.000 1.133 268 G CA -0.569 44.524 45.100 -0.012 0.000 0.891 268 G HN 1.236 nan 8.290 nan 0.000 0.485 269 V N 3.226 122.812 119.914 -0.547 0.000 2.584 269 V HA -0.029 4.092 4.120 0.001 0.000 0.303 269 V C -0.726 174.861 176.094 -0.845 0.000 1.035 269 V CA -0.329 61.268 62.300 -1.172 0.000 1.172 269 V CB 1.031 32.355 31.823 -0.830 0.000 0.896 269 V HN 0.674 nan 8.190 nan 0.000 0.486 270 P HA -0.232 nan 4.420 nan 0.000 0.217 270 P C 1.274 178.334 177.300 -0.401 0.000 1.148 270 P CA 1.875 64.571 63.100 -0.673 0.000 0.834 270 P CB 0.051 31.249 31.700 -0.838 0.000 0.783 271 A N -0.698 121.900 122.820 -0.370 0.000 4.219 271 A HA -0.375 3.946 4.320 0.001 0.000 0.252 271 A C 1.892 179.457 177.584 -0.033 0.000 0.737 271 A CA 1.823 53.778 52.037 -0.137 0.000 1.245 271 A CB -2.720 16.210 19.000 -0.117 0.000 1.105 271 A HN 0.410 nan 8.150 nan 0.000 0.713 272 D N -1.029 119.347 120.400 -0.040 0.000 2.239 272 D HA -0.188 4.453 4.640 0.001 0.000 0.202 272 D C 0.370 176.804 176.300 0.224 0.000 0.993 272 D CA 1.266 55.307 54.000 0.068 0.000 0.874 272 D CB -0.258 40.578 40.800 0.059 0.000 0.922 272 D HN 0.640 nan 8.370 nan 0.000 0.464 273 W N 1.718 122.991 121.300 -0.046 0.000 2.253 273 W HA 0.184 4.844 4.660 0.001 0.000 0.322 273 W C 1.625 178.124 176.519 -0.033 0.000 1.342 273 W CA -0.712 56.608 57.345 -0.041 0.000 1.218 273 W CB 0.707 30.127 29.460 -0.067 0.000 1.205 273 W HN 0.028 nan 8.180 nan 0.000 0.551 274 Q N 1.071 120.966 119.800 0.158 0.000 2.107 274 Q HA -0.061 4.280 4.340 0.001 0.000 0.195 274 Q C -0.180 175.858 176.000 0.063 0.000 0.964 274 Q CA 1.097 56.948 55.803 0.081 0.000 0.833 274 Q CB 0.090 28.852 28.738 0.039 0.000 0.910 274 Q HN 0.387 nan 8.270 nan 0.000 0.465 275 D N 0.035 120.455 120.400 0.033 0.000 2.378 275 D HA 0.395 5.036 4.640 0.001 0.000 0.265 275 D C -1.361 174.939 176.300 -0.000 0.000 1.229 275 D CA -0.241 53.770 54.000 0.018 0.000 0.914 275 D CB 0.684 41.482 40.800 -0.003 0.000 1.140 275 D HN 0.154 nan 8.370 nan 0.000 0.516 276 A N 2.670 125.526 122.820 0.060 0.000 2.462 276 A HA 0.396 4.717 4.320 0.001 0.000 0.243 276 A C 0.359 177.960 177.584 0.028 0.000 1.076 276 A CA -0.213 51.866 52.037 0.070 0.000 0.773 276 A CB 0.481 19.630 19.000 0.249 0.000 1.010 276 A HN 0.469 nan 8.150 nan 0.000 0.493 277 E N 1.750 121.949 120.200 -0.003 0.000 2.081 277 E HA 0.404 4.755 4.350 0.001 0.000 0.281 277 E C -0.924 175.702 176.600 0.043 0.000 0.986 277 E CA -0.172 56.231 56.400 0.005 0.000 0.796 277 E CB 0.950 30.636 29.700 -0.023 0.000 1.085 277 E HN 0.316 nan 8.360 nan 0.000 0.398 278 V N 7.571 127.509 119.914 0.040 0.000 2.397 278 V HA 0.018 4.138 4.120 0.001 0.000 0.262 278 V C 1.224 177.346 176.094 0.046 0.000 1.047 278 V CA 0.287 62.616 62.300 0.048 0.000 1.003 278 V CB 0.368 32.208 31.823 0.028 0.000 1.037 278 V HN 0.828 nan 8.190 nan 0.000 0.480 279 L N 4.228 125.491 121.223 0.067 0.000 2.307 279 L HA 0.377 4.718 4.340 0.001 0.000 0.211 279 L C 0.958 177.870 176.870 0.070 0.000 1.099 279 L CA 0.824 55.704 54.840 0.067 0.000 0.816 279 L CB 0.051 42.162 42.059 0.086 0.000 0.952 279 L HN 0.727 nan 8.230 nan 0.000 0.455 280 A N 0.138 123.004 122.820 0.078 0.000 2.566 280 A HA 0.549 4.870 4.320 0.001 0.000 0.297 280 A C -1.781 175.833 177.584 0.050 0.000 1.059 280 A CA -0.661 51.421 52.037 0.075 0.000 0.691 280 A CB 1.438 20.511 19.000 0.122 0.000 1.282 280 A HN 0.154 nan 8.150 nan 0.000 0.401 281 D N -0.304 120.120 120.400 0.041 0.000 2.566 281 D HA 0.743 5.384 4.640 0.001 0.000 0.254 281 D C -0.664 175.684 176.300 0.079 0.000 1.090 281 D CA -0.353 53.664 54.000 0.029 0.000 1.034 281 D CB 1.066 41.859 40.800 -0.012 0.000 1.434 281 D HN 0.779 nan 8.370 nan 0.000 0.509 282 H N -2.031 117.009 119.070 -0.049 0.000 3.038 282 H HA 0.600 5.157 4.556 0.001 0.000 0.362 282 H C -1.652 173.642 175.328 -0.057 0.000 1.167 282 H CA -0.449 55.574 56.048 -0.042 0.000 1.197 282 H CB 2.135 31.875 29.762 -0.037 0.000 1.840 282 H HN 0.362 nan 8.280 nan 0.000 0.540 283 T N 3.462 117.586 114.554 -0.716 0.000 2.812 283 T HA 0.345 4.696 4.350 0.001 0.000 0.282 283 T C -0.183 174.209 174.700 -0.514 0.000 0.990 283 T CA -0.530 61.306 62.100 -0.441 0.000 0.960 283 T CB 1.006 69.710 68.868 -0.273 0.000 0.948 283 T HN 0.750 nan 8.240 nan 0.000 0.438 284 S N 2.676 118.274 115.700 -0.170 0.000 2.596 284 S HA 0.620 5.090 4.470 0.001 0.000 0.260 284 S C 0.893 175.467 174.600 -0.042 0.000 1.336 284 S CA -0.636 57.555 58.200 -0.016 0.000 0.993 284 S CB 0.339 63.607 63.200 0.113 0.000 0.923 284 S HN 0.952 nan 8.310 nan 0.000 0.567 285 A N 0.881 123.697 122.820 -0.007 0.000 2.364 285 A HA 0.321 4.642 4.320 0.001 0.000 0.258 285 A C 0.549 178.153 177.584 0.033 0.000 1.131 285 A CA -0.340 51.699 52.037 0.004 0.000 0.800 285 A CB -0.343 18.669 19.000 0.020 0.000 1.086 285 A HN 0.900 nan 8.150 nan 0.000 0.508 286 E N -0.908 119.314 120.200 0.037 0.000 2.283 286 E HA 0.229 4.580 4.350 0.001 0.000 0.271 286 E C 0.565 177.229 176.600 0.106 0.000 1.031 286 E CA -0.733 55.696 56.400 0.049 0.000 0.868 286 E CB 1.015 30.731 29.700 0.028 0.000 1.094 286 E HN 0.541 nan 8.360 nan 0.000 0.401 287 L N 2.694 124.003 121.223 0.143 0.000 2.263 287 L HA -0.220 4.121 4.340 0.001 0.000 0.216 287 L C 2.050 179.007 176.870 0.144 0.000 1.111 287 L CA 2.131 57.085 54.840 0.191 0.000 0.773 287 L CB -0.506 41.665 42.059 0.187 0.000 0.906 287 L HN 0.587 nan 8.230 nan 0.000 0.439 288 S N -2.417 113.355 115.700 0.120 0.000 2.470 288 S HA -0.005 4.466 4.470 0.001 0.000 0.225 288 S C 1.645 176.322 174.600 0.129 0.000 1.006 288 S CA 0.355 58.629 58.200 0.124 0.000 0.934 288 S CB -0.248 63.020 63.200 0.113 0.000 0.778 288 S HN 0.488 nan 8.310 nan 0.000 0.517 289 E N 1.691 121.962 120.200 0.119 0.000 2.140 289 E HA 0.234 4.585 4.350 0.001 0.000 0.191 289 E C 1.970 178.666 176.600 0.160 0.000 0.973 289 E CA 0.501 56.978 56.400 0.128 0.000 0.829 289 E CB -0.557 29.203 29.700 0.101 0.000 0.781 289 E HN 0.558 nan 8.360 nan 0.000 0.466 290 I N 1.218 121.863 120.570 0.125 0.000 2.264 290 I HA -0.226 3.945 4.170 0.001 0.000 0.248 290 I C 2.166 178.420 176.117 0.228 0.000 1.111 290 I CA 0.702 62.062 61.300 0.100 0.000 1.382 290 I CB -0.135 37.854 38.000 -0.017 0.000 1.060 290 I HN 0.068 nan 8.210 nan 0.000 0.418 291 L N 0.170 121.543 121.223 0.250 0.000 2.447 291 L HA -0.174 4.167 4.340 0.001 0.000 0.225 291 L C 2.245 179.263 176.870 0.248 0.000 1.148 291 L CA 1.201 56.238 54.840 0.329 0.000 0.808 291 L CB -0.480 41.722 42.059 0.239 0.000 0.928 291 L HN 0.191 nan 8.230 nan 0.000 0.448 292 V N 0.595 120.660 119.914 0.251 0.000 2.283 292 V HA -0.068 4.053 4.120 0.001 0.000 0.239 292 V C -0.234 176.040 176.094 0.301 0.000 1.035 292 V CA 1.178 63.614 62.300 0.226 0.000 1.018 292 V CB -1.579 30.402 31.823 0.264 0.000 0.658 292 V HN 0.267 nan 8.190 nan 0.000 0.459 293 P HA -0.240 nan 4.420 nan 0.000 0.217 293 P C 1.774 179.409 177.300 0.560 0.000 1.148 293 P CA 1.829 65.299 63.100 0.616 0.000 0.828 293 P CB -0.187 31.995 31.700 0.804 0.000 0.783 294 F N 0.191 120.380 119.950 0.398 0.000 2.075 294 F HA -0.159 4.368 4.527 0.002 0.000 0.297 294 F C 2.050 177.945 175.800 0.158 0.000 1.113 294 F CA 1.398 59.623 58.000 0.374 0.000 1.218 294 F CB -0.225 38.985 39.000 0.350 0.000 0.984 294 F HN -0.281 nan 8.300 nan 0.000 0.472 295 M N -0.008 119.450 119.600 -0.238 0.000 2.501 295 M HA -0.000 4.481 4.480 0.001 0.000 0.261 295 M C 1.694 177.795 176.300 -0.332 0.000 1.129 295 M CA 0.744 55.749 55.300 -0.491 0.000 1.126 295 M CB -0.566 31.733 32.600 -0.502 0.000 1.359 295 M HN 0.097 nan 8.290 nan 0.000 0.471 296 K N -0.059 120.161 120.400 -0.301 0.000 2.116 296 K HA 0.024 4.345 4.320 0.001 0.000 0.203 296 K C 1.445 177.680 176.600 -0.607 0.000 1.052 296 K CA 1.291 57.257 56.287 -0.536 0.000 0.952 296 K CB -0.068 31.935 32.500 -0.828 0.000 0.729 296 K HN 0.266 nan 8.250 nan 0.000 0.446 297 F N 0.120 119.990 119.950 -0.133 0.000 2.724 297 F HA 0.220 4.748 4.527 0.001 0.000 0.306 297 F C 0.531 176.276 175.800 -0.091 0.000 1.100 297 F CA -0.367 57.559 58.000 -0.124 0.000 1.255 297 F CB 0.357 39.274 39.000 -0.138 0.000 1.072 297 F HN -0.246 nan 8.300 nan 0.000 0.589 298 S N 1.208 116.927 115.700 0.032 0.000 3.963 298 S HA -0.271 4.200 4.470 0.001 0.000 0.438 298 S C -0.012 174.642 174.600 0.091 0.000 0.879 298 S CA -0.042 58.153 58.200 -0.007 0.000 1.262 298 S CB -1.957 61.213 63.200 -0.051 0.000 0.850 298 S HN 0.553 nan 8.310 nan 0.000 0.570 299 N N 1.669 120.485 118.700 0.193 0.000 2.402 299 N HA 0.245 4.985 4.740 0.001 0.000 0.259 299 N C 1.223 176.854 175.510 0.203 0.000 1.167 299 N CA -0.396 52.718 53.050 0.106 0.000 0.949 299 N CB 0.329 38.666 38.487 -0.250 0.000 1.212 299 N HN 0.379 nan 8.380 nan 0.000 0.493 300 N N 2.457 121.241 118.700 0.139 0.000 2.036 300 N HA -0.164 4.577 4.740 0.001 0.000 0.195 300 N C 1.852 177.490 175.510 0.213 0.000 1.037 300 N CA 1.531 54.682 53.050 0.167 0.000 0.855 300 N CB -0.697 37.833 38.487 0.072 0.000 1.033 300 N HN 0.676 nan 8.380 nan 0.000 0.423 301 G N 0.942 109.838 108.800 0.159 0.000 2.529 301 G HA2 -0.312 3.649 3.960 0.001 0.000 0.219 301 G HA3 -0.312 3.649 3.960 0.001 0.000 0.219 301 G C 1.261 176.278 174.900 0.196 0.000 1.177 301 G CA 1.323 46.537 45.100 0.190 0.000 0.773 301 G HN 0.384 nan 8.290 nan 0.000 0.573 302 H N 0.957 120.050 119.070 0.039 0.000 2.319 302 H HA -0.049 4.508 4.556 0.001 0.000 0.297 302 H C 2.889 178.037 175.328 -0.301 0.000 1.097 302 H CA 1.305 57.245 56.048 -0.181 0.000 1.285 302 H CB -0.846 28.721 29.762 -0.324 0.000 1.368 302 H HN 0.397 nan 8.280 nan 0.000 0.495 303 A N 1.169 123.972 122.820 -0.029 0.000 1.930 303 A HA -0.134 4.187 4.320 0.001 0.000 0.217 303 A C 2.279 179.933 177.584 0.117 0.000 1.175 303 A CA 1.471 53.522 52.037 0.023 0.000 0.627 303 A CB -0.058 19.161 19.000 0.364 0.000 0.815 303 A HN 0.292 nan 8.150 nan 0.000 0.443 304 E N 0.058 120.387 120.200 0.215 0.000 2.072 304 E HA -0.164 4.187 4.350 0.001 0.000 0.191 304 E C 2.079 178.634 176.600 -0.076 0.000 0.985 304 E CA 1.373 57.910 56.400 0.229 0.000 0.801 304 E CB -0.566 29.418 29.700 0.474 0.000 0.750 304 E HN 0.736 nan 8.360 nan 0.000 0.452 305 M N 0.354 119.942 119.600 -0.020 0.000 2.117 305 M HA -0.118 4.363 4.480 0.001 0.000 0.262 305 M C 2.433 178.706 176.300 -0.045 0.000 1.065 305 M CA 1.246 56.547 55.300 0.001 0.000 1.114 305 M CB -0.440 32.237 32.600 0.129 0.000 1.361 305 M HN 0.032 nan 8.290 nan 0.000 0.408 306 L N -0.716 120.457 121.223 -0.083 0.000 2.131 306 L HA -0.156 4.184 4.340 0.001 0.000 0.210 306 L C 2.435 179.278 176.870 -0.045 0.000 1.092 306 L CA 0.598 55.407 54.840 -0.052 0.000 0.759 306 L CB -0.675 41.315 42.059 -0.116 0.000 0.903 306 L HN 0.118 nan 8.230 nan 0.000 0.435 307 V N -0.049 119.818 119.914 -0.078 0.000 2.515 307 V HA -0.243 3.878 4.120 0.001 0.000 0.250 307 V C 2.389 178.342 176.094 -0.236 0.000 1.058 307 V CA 1.692 63.941 62.300 -0.084 0.000 1.064 307 V CB -0.312 31.520 31.823 0.016 0.000 0.675 307 V HN 0.432 nan 8.190 nan 0.000 0.461 308 K N -0.809 119.308 120.400 -0.473 0.000 2.243 308 K HA 0.001 4.322 4.320 0.001 0.000 0.201 308 K C 2.334 178.700 176.600 -0.391 0.000 1.051 308 K CA 1.023 56.870 56.287 -0.733 0.000 0.970 308 K CB -0.081 31.453 32.500 -1.610 0.000 0.755 308 K HN 0.326 nan 8.250 nan 0.000 0.465 309 S N 1.588 117.249 115.700 -0.065 0.000 2.382 309 S HA -0.077 4.394 4.470 0.001 0.000 0.228 309 S C 1.904 176.561 174.600 0.095 0.000 1.027 309 S CA 1.007 59.371 58.200 0.274 0.000 0.991 309 S CB -0.135 63.318 63.200 0.422 0.000 0.823 309 S HN 0.204 nan 8.310 nan 0.000 0.469 310 I N 1.223 121.790 120.570 -0.004 0.000 2.353 310 I HA -0.095 4.075 4.170 0.001 0.000 0.248 310 I C 2.608 178.699 176.117 -0.043 0.000 1.119 310 I CA 0.901 62.188 61.300 -0.022 0.000 1.417 310 I CB -0.710 37.280 38.000 -0.017 0.000 1.078 310 I HN 0.352 nan 8.210 nan 0.000 0.421 311 G N 0.005 108.747 108.800 -0.096 0.000 2.459 311 G HA2 -0.265 3.696 3.960 0.001 0.000 0.217 311 G HA3 -0.265 3.696 3.960 0.001 0.000 0.217 311 G C 1.567 176.396 174.900 -0.118 0.000 1.183 311 G CA 0.442 45.468 45.100 -0.122 0.000 0.776 311 G HN 0.249 nan 8.290 nan 0.000 0.552 312 Q N -0.006 119.713 119.800 -0.136 0.000 2.096 312 Q HA -0.118 4.223 4.340 0.001 0.000 0.204 312 Q C 2.440 178.417 176.000 -0.038 0.000 0.982 312 Q CA 1.649 57.348 55.803 -0.174 0.000 0.850 312 Q CB -0.280 28.293 28.738 -0.275 0.000 0.901 312 Q HN 0.595 nan 8.270 nan 0.000 0.422 313 E N -0.612 119.608 120.200 0.033 0.000 2.208 313 E HA -0.071 4.280 4.350 0.001 0.000 0.193 313 E C 1.472 178.083 176.600 0.018 0.000 0.988 313 E CA 1.285 57.716 56.400 0.053 0.000 0.828 313 E CB 0.150 29.872 29.700 0.038 0.000 0.763 313 E HN 0.203 nan 8.360 nan 0.000 0.478 314 T N -1.159 113.390 114.554 -0.008 0.000 3.031 314 T HA 0.291 4.642 4.350 0.001 0.000 0.236 314 T C 1.046 175.732 174.700 -0.023 0.000 1.005 314 T CA 0.864 62.957 62.100 -0.011 0.000 1.230 314 T CB 0.077 68.936 68.868 -0.014 0.000 0.913 314 T HN 0.156 nan 8.240 nan 0.000 0.419 315 A N 0.281 123.075 122.820 -0.044 0.000 2.637 315 A HA 0.598 4.919 4.320 0.001 0.000 0.293 315 A C 1.353 178.893 177.584 -0.073 0.000 1.216 315 A CA 0.355 52.362 52.037 -0.049 0.000 0.956 315 A CB -0.672 18.301 19.000 -0.046 0.000 1.174 315 A HN 0.699 nan 8.150 nan 0.000 0.525 316 G N -0.849 107.898 108.800 -0.089 0.000 2.296 316 G HA2 0.087 4.048 3.960 0.001 0.000 0.282 316 G HA3 0.087 4.048 3.960 0.001 0.000 0.282 316 G C 0.327 175.118 174.900 -0.183 0.000 1.014 316 G CA 0.678 45.699 45.100 -0.132 0.000 0.812 316 G HN 1.901 nan 8.290 nan 0.000 0.508 317 A N -0.694 122.012 122.820 -0.189 0.000 2.375 317 A HA 0.786 5.107 4.320 0.001 0.000 0.295 317 A C 0.455 177.890 177.584 -0.248 0.000 1.066 317 A CA 0.326 52.243 52.037 -0.200 0.000 0.722 317 A CB 1.545 20.464 19.000 -0.135 0.000 1.206 317 A HN 1.606 nan 8.150 nan 0.000 0.435 318 G N 2.367 110.993 108.800 -0.291 0.000 3.209 318 G HA2 0.462 4.423 3.960 0.001 0.000 0.274 318 G HA3 0.462 4.423 3.960 0.001 0.000 0.274 318 G C 0.261 174.922 174.900 -0.399 0.000 0.850 318 G CA 0.551 45.440 45.100 -0.351 0.000 1.907 318 G HN 1.133 nan 8.290 nan 0.000 0.591 319 T N -3.055 111.288 114.554 -0.352 0.000 2.916 319 T HA 0.348 4.699 4.350 0.001 0.000 0.292 319 T C 0.681 175.212 174.700 -0.282 0.000 1.055 319 T CA -0.929 61.001 62.100 -0.283 0.000 1.009 319 T CB 1.823 70.613 68.868 -0.130 0.000 1.118 319 T HN 0.218 nan 8.240 nan 0.000 0.497 320 W N 0.932 122.124 121.300 -0.180 0.000 2.355 320 W HA -0.057 4.604 4.660 0.001 0.000 0.309 320 W C 1.475 177.925 176.519 -0.116 0.000 1.206 320 W CA 1.578 58.831 57.345 -0.153 0.000 1.284 320 W CB -0.685 28.679 29.460 -0.161 0.000 1.145 320 W HN 0.801 nan 8.180 nan 0.000 0.502 321 D N -0.269 120.199 120.400 0.114 0.000 2.087 321 D HA -0.151 4.490 4.640 0.001 0.000 0.192 321 D C 2.278 178.584 176.300 0.010 0.000 0.993 321 D CA 2.267 56.294 54.000 0.045 0.000 0.828 321 D CB -0.991 39.819 40.800 0.017 0.000 0.968 321 D HN -0.019 nan 8.370 nan 0.000 0.448 322 A N 0.786 123.591 122.820 -0.024 0.000 1.873 322 A HA -0.115 4.206 4.320 0.001 0.000 0.218 322 A C 2.415 179.975 177.584 -0.040 0.000 1.193 322 A CA 2.611 54.622 52.037 -0.044 0.000 0.629 322 A CB -1.345 17.609 19.000 -0.078 0.000 0.826 322 A HN 0.321 nan 8.150 nan 0.000 0.447 323 G N -0.538 108.224 108.800 -0.063 0.000 2.476 323 G HA2 -0.168 3.793 3.960 0.001 0.000 0.218 323 G HA3 -0.168 3.793 3.960 0.001 0.000 0.218 323 G C 1.380 176.287 174.900 0.012 0.000 1.164 323 G CA 1.295 46.363 45.100 -0.054 0.000 0.768 323 G HN 0.347 nan 8.290 nan 0.000 0.560 324 L N 0.456 121.709 121.223 0.050 0.000 2.083 324 L HA 0.005 4.346 4.340 0.001 0.000 0.209 324 L C 3.154 180.043 176.870 0.033 0.000 1.083 324 L CA 0.744 55.621 54.840 0.063 0.000 0.752 324 L CB -0.874 41.232 42.059 0.078 0.000 0.899 324 L HN 0.116 nan 8.230 nan 0.000 0.433 325 V N -0.245 119.680 119.914 0.018 0.000 2.261 325 V HA -0.242 3.879 4.120 0.001 0.000 0.246 325 V C 2.626 178.728 176.094 0.013 0.000 1.047 325 V CA 1.829 64.134 62.300 0.009 0.000 1.015 325 V CB -1.500 30.323 31.823 0.001 0.000 0.642 325 V HN 0.560 nan 8.190 nan 0.000 0.446 326 G N 0.101 108.906 108.800 0.009 0.000 2.556 326 G HA2 -0.298 3.663 3.960 0.001 0.000 0.220 326 G HA3 -0.298 3.663 3.960 0.001 0.000 0.220 326 G C 1.665 176.584 174.900 0.031 0.000 1.156 326 G CA 1.651 46.759 45.100 0.013 0.000 0.766 326 G HN 0.390 nan 8.290 nan 0.000 0.583 327 V N 0.788 120.728 119.914 0.043 0.000 2.255 327 V HA -0.188 3.932 4.120 0.001 0.000 0.247 327 V C 2.749 178.886 176.094 0.072 0.000 1.051 327 V CA 2.259 64.601 62.300 0.071 0.000 1.018 327 V CB -0.399 31.479 31.823 0.092 0.000 0.641 327 V HN 0.461 nan 8.190 nan 0.000 0.445 328 E N 0.465 120.693 120.200 0.047 0.000 2.051 328 E HA -0.251 4.100 4.350 0.001 0.000 0.192 328 E C 2.185 178.809 176.600 0.041 0.000 0.991 328 E CA 1.777 58.199 56.400 0.036 0.000 0.799 328 E CB -0.154 29.553 29.700 0.012 0.000 0.748 328 E HN 0.719 nan 8.360 nan 0.000 0.449 329 E N 0.093 120.314 120.200 0.034 0.000 2.097 329 E HA -0.201 4.150 4.350 0.001 0.000 0.196 329 E C 2.023 178.650 176.600 0.046 0.000 1.000 329 E CA 1.289 57.709 56.400 0.033 0.000 0.804 329 E CB -0.171 29.544 29.700 0.024 0.000 0.740 329 E HN 0.348 nan 8.360 nan 0.000 0.454 330 A N 0.804 123.657 122.820 0.056 0.000 1.930 330 A HA -0.144 4.176 4.320 0.001 0.000 0.217 330 A C 2.154 179.794 177.584 0.094 0.000 1.175 330 A CA 0.991 53.072 52.037 0.074 0.000 0.627 330 A CB -0.512 18.533 19.000 0.074 0.000 0.815 330 A HN 0.122 nan 8.150 nan 0.000 0.443 331 L N -0.581 120.703 121.223 0.102 0.000 2.027 331 L HA -0.154 4.187 4.340 0.001 0.000 0.206 331 L C 2.876 179.799 176.870 0.089 0.000 1.074 331 L CA 1.398 56.311 54.840 0.122 0.000 0.745 331 L CB -0.675 41.480 42.059 0.159 0.000 0.898 331 L HN 0.309 nan 8.230 nan 0.000 0.433 332 S N 0.468 116.207 115.700 0.066 0.000 2.368 332 S HA -0.223 4.248 4.470 0.001 0.000 0.226 332 S C 2.085 176.711 174.600 0.043 0.000 1.044 332 S CA 1.527 59.755 58.200 0.048 0.000 1.062 332 S CB -1.011 62.210 63.200 0.036 0.000 0.931 332 S HN 0.629 nan 8.310 nan 0.000 0.440 333 G N 1.175 110.003 108.800 0.047 0.000 2.469 333 G HA2 -0.212 3.749 3.960 0.001 0.000 0.220 333 G HA3 -0.212 3.749 3.960 0.001 0.000 0.220 333 G C 1.294 176.219 174.900 0.041 0.000 1.136 333 G CA 0.970 46.096 45.100 0.043 0.000 0.759 333 G HN 0.431 nan 8.290 nan 0.000 0.562 334 L N 0.409 121.665 121.223 0.056 0.000 2.478 334 L HA 0.324 4.664 4.340 0.001 0.000 0.223 334 L C 1.983 178.858 176.870 0.009 0.000 1.140 334 L CA 1.537 56.400 54.840 0.038 0.000 0.842 334 L CB 0.041 42.147 42.059 0.080 0.000 0.953 334 L HN 0.457 nan 8.230 nan 0.000 0.452 335 G N -1.554 107.260 108.800 0.022 0.000 2.148 335 G HA2 -0.185 3.776 3.960 0.001 0.000 0.203 335 G HA3 -0.185 3.776 3.960 0.001 0.000 0.203 335 G C 0.068 174.985 174.900 0.028 0.000 0.993 335 G CA 0.000 45.109 45.100 0.015 0.000 0.661 335 G HN 0.153 nan 8.290 nan 0.000 0.518 336 V N 1.132 121.076 119.914 0.049 0.000 2.546 336 V HA 0.492 4.612 4.120 0.001 0.000 0.284 336 V C 0.382 176.514 176.094 0.064 0.000 1.050 336 V CA -0.324 62.019 62.300 0.072 0.000 0.981 336 V CB 1.759 33.655 31.823 0.121 0.000 0.990 336 V HN 0.355 nan 8.190 nan 0.000 0.474 337 D N 3.242 123.677 120.400 0.059 0.000 2.336 337 D HA 0.165 4.806 4.640 0.001 0.000 0.249 337 D C 0.981 177.308 176.300 0.045 0.000 1.213 337 D CA -0.065 53.961 54.000 0.044 0.000 0.870 337 D CB 1.301 42.121 40.800 0.034 0.000 1.076 337 D HN 0.722 nan 8.370 nan 0.000 0.483 338 T N 0.914 115.485 114.554 0.029 0.000 3.223 338 T HA 0.398 4.749 4.350 0.001 0.000 0.259 338 T C 1.450 176.141 174.700 -0.015 0.000 1.015 338 T CA 0.059 62.163 62.100 0.007 0.000 0.908 338 T CB 0.407 69.279 68.868 0.007 0.000 1.054 338 T HN 0.251 nan 8.240 nan 0.000 0.567 339 A N 1.409 124.227 122.820 -0.004 0.000 1.969 339 A HA 0.361 4.682 4.320 0.001 0.000 0.218 339 A C 2.346 179.919 177.584 -0.018 0.000 1.169 339 A CA 1.076 53.108 52.037 -0.008 0.000 0.635 339 A CB -1.036 17.964 19.000 0.000 0.000 0.810 339 A HN 0.626 nan 8.150 nan 0.000 0.445 340 G N -1.134 107.654 108.800 -0.020 0.000 3.042 340 G HA2 0.364 4.325 3.960 0.001 0.000 0.212 340 G HA3 0.364 4.325 3.960 0.001 0.000 0.212 340 G C 0.366 175.232 174.900 -0.058 0.000 1.166 340 G CA -0.327 44.757 45.100 -0.026 0.000 0.767 340 G HN 0.362 nan 8.290 nan 0.000 0.546 341 L N 1.752 122.920 121.223 -0.091 0.000 2.313 341 L HA 0.308 4.649 4.340 0.001 0.000 0.282 341 L C -0.464 176.340 176.870 -0.109 0.000 1.092 341 L CA -0.465 54.282 54.840 -0.154 0.000 0.831 341 L CB 1.819 43.742 42.059 -0.227 0.000 1.159 341 L HN -0.189 nan 8.230 nan 0.000 0.442 342 V N 6.061 125.914 119.914 -0.102 0.000 2.328 342 V HA 0.302 4.423 4.120 0.001 0.000 0.278 342 V C 0.213 176.259 176.094 -0.081 0.000 1.021 342 V CA -0.448 61.808 62.300 -0.073 0.000 0.838 342 V CB 1.483 33.277 31.823 -0.049 0.000 0.999 342 V HN 0.507 nan 8.190 nan 0.000 0.447 343 L N 4.538 125.718 121.223 -0.070 0.000 2.257 343 L HA 0.463 4.804 4.340 0.001 0.000 0.290 343 L C 0.776 177.624 176.870 -0.037 0.000 1.044 343 L CA -0.132 54.676 54.840 -0.053 0.000 0.810 343 L CB 0.980 43.016 42.059 -0.038 0.000 1.193 343 L HN 0.592 nan 8.230 nan 0.000 0.425 344 N N 0.949 119.628 118.700 -0.035 0.000 2.382 344 N HA 0.017 4.758 4.740 0.001 0.000 0.200 344 N C -0.629 174.812 175.510 -0.115 0.000 1.122 344 N CA 0.164 53.169 53.050 -0.074 0.000 0.870 344 N CB 0.812 39.255 38.487 -0.073 0.000 1.176 344 N HN 0.813 nan 8.380 nan 0.000 0.474 345 D N -3.312 117.083 120.400 -0.008 0.000 2.692 345 D HA 0.327 4.968 4.640 0.001 0.000 0.303 345 D C 0.732 177.152 176.300 0.199 0.000 1.278 345 D CA -0.598 53.438 54.000 0.060 0.000 0.852 345 D CB 0.444 41.295 40.800 0.085 0.000 1.375 345 D HN -0.092 nan 8.370 nan 0.000 0.453 346 G N -1.000 107.989 108.800 0.316 0.000 2.595 346 G HA2 -0.001 3.960 3.960 0.001 0.000 0.213 346 G HA3 -0.001 3.960 3.960 0.001 0.000 0.213 346 G C 1.198 176.284 174.900 0.310 0.000 1.141 346 G CA 0.892 46.173 45.100 0.301 0.000 0.806 346 G HN 0.594 nan 8.290 nan 0.000 0.530 347 S N -0.536 115.362 115.700 0.331 0.000 2.406 347 S HA 0.343 4.814 4.470 0.001 0.000 0.224 347 S C 1.990 176.695 174.600 0.175 0.000 1.030 347 S CA 1.428 59.795 58.200 0.278 0.000 0.958 347 S CB -0.115 63.245 63.200 0.267 0.000 0.811 347 S HN 1.456 nan 8.310 nan 0.000 0.489 348 G N 0.757 109.647 108.800 0.150 0.000 2.218 348 G HA2 -0.198 3.762 3.960 0.001 0.000 0.216 348 G HA3 -0.198 3.762 3.960 0.001 0.000 0.216 348 G C 0.633 175.526 174.900 -0.012 0.000 0.994 348 G CA 0.226 45.368 45.100 0.070 0.000 0.637 348 G HN 0.442 nan 8.290 nan 0.000 0.505 349 L N 1.226 122.413 121.223 -0.061 0.000 2.081 349 L HA 0.030 4.371 4.340 0.001 0.000 0.212 349 L C 1.908 178.671 176.870 -0.179 0.000 1.080 349 L CA 1.839 56.513 54.840 -0.277 0.000 0.754 349 L CB -0.295 41.298 42.059 -0.776 0.000 0.893 349 L HN 0.478 nan 8.230 nan 0.000 0.433 350 S N -0.417 115.341 115.700 0.097 0.000 2.505 350 S HA 0.093 4.564 4.470 0.001 0.000 0.276 350 S C 1.061 175.674 174.600 0.021 0.000 1.274 350 S CA -0.481 57.820 58.200 0.169 0.000 1.053 350 S CB 0.859 64.204 63.200 0.242 0.000 0.919 350 S HN 0.243 nan 8.310 nan 0.000 0.490 351 R N 3.222 123.712 120.500 -0.016 0.000 2.323 351 R HA 0.067 4.408 4.340 0.001 0.000 0.198 351 R C 1.686 177.994 176.300 0.015 0.000 0.988 351 R CA 0.635 56.722 56.100 -0.021 0.000 1.041 351 R CB -0.190 30.096 30.300 -0.023 0.000 0.926 351 R HN 0.747 nan 8.270 nan 0.000 0.476 352 G N -0.016 108.795 108.800 0.018 0.000 3.233 352 G HA2 -0.009 3.952 3.960 0.001 0.000 0.227 352 G HA3 -0.009 3.952 3.960 0.001 0.000 0.227 352 G C 0.038 174.932 174.900 -0.011 0.000 1.175 352 G CA -0.369 44.733 45.100 0.003 0.000 0.781 352 G HN 0.126 nan 8.290 nan 0.000 0.542 353 N N 0.457 119.154 118.700 -0.006 0.000 2.509 353 N HA 0.567 5.307 4.740 0.001 0.000 0.287 353 N C -0.668 174.829 175.510 -0.022 0.000 1.121 353 N CA -0.007 53.033 53.050 -0.017 0.000 0.977 353 N CB 2.014 40.501 38.487 0.000 0.000 1.167 353 N HN 0.002 nan 8.380 nan 0.000 0.476 354 L N 0.669 121.867 121.223 -0.043 0.000 2.393 354 L HA 0.674 5.015 4.340 0.001 0.000 0.260 354 L C -0.185 176.641 176.870 -0.074 0.000 1.002 354 L CA -1.064 53.753 54.840 -0.039 0.000 0.818 354 L CB 2.106 44.146 42.059 -0.032 0.000 1.369 354 L HN 0.285 nan 8.230 nan 0.000 0.412 355 V N -1.556 118.334 119.914 -0.039 0.000 3.202 355 V HA 0.885 5.006 4.120 0.001 0.000 0.306 355 V C -0.607 175.498 176.094 0.019 0.000 1.283 355 V CA -0.435 61.839 62.300 -0.043 0.000 1.065 355 V CB 2.158 33.995 31.823 0.023 0.000 1.079 355 V HN 0.875 nan 8.190 nan 0.000 0.448 356 T N -1.630 112.954 114.554 0.050 0.000 2.916 356 T HA 0.811 5.162 4.350 0.001 0.000 0.292 356 T C 0.961 175.720 174.700 0.099 0.000 1.055 356 T CA -0.055 62.082 62.100 0.062 0.000 1.009 356 T CB 1.691 70.585 68.868 0.043 0.000 1.118 356 T HN 1.831 nan 8.240 nan 0.000 0.497 357 A N 1.125 123.996 122.820 0.085 0.000 1.902 357 A HA -0.047 4.274 4.320 0.001 0.000 0.217 357 A C 1.933 179.569 177.584 0.088 0.000 1.181 357 A CA 1.687 53.778 52.037 0.090 0.000 0.623 357 A CB -1.019 18.033 19.000 0.086 0.000 0.818 357 A HN 0.926 nan 8.150 nan 0.000 0.443 358 D N -0.176 120.269 120.400 0.076 0.000 2.104 358 D HA -0.126 4.515 4.640 0.001 0.000 0.194 358 D C 2.032 178.388 176.300 0.093 0.000 0.994 358 D CA 2.008 56.050 54.000 0.070 0.000 0.830 358 D CB -0.812 40.020 40.800 0.053 0.000 0.959 358 D HN 0.438 nan 8.370 nan 0.000 0.452 359 T N 1.094 115.720 114.554 0.119 0.000 2.699 359 T HA -0.124 4.227 4.350 0.001 0.000 0.268 359 T C 2.309 177.172 174.700 0.273 0.000 1.036 359 T CA 1.117 63.330 62.100 0.189 0.000 1.147 359 T CB -0.447 68.532 68.868 0.184 0.000 0.862 359 T HN 0.014 nan 8.240 nan 0.000 0.446 360 V N 1.078 121.141 119.914 0.248 0.000 2.427 360 V HA -0.103 4.018 4.120 0.001 0.000 0.248 360 V C 2.682 178.770 176.094 -0.010 0.000 1.051 360 V CA 1.065 63.422 62.300 0.095 0.000 1.048 360 V CB -0.757 31.102 31.823 0.059 0.000 0.666 360 V HN 0.326 nan 8.190 nan 0.000 0.456 361 V N 0.525 120.454 119.914 0.024 0.000 2.427 361 V HA -0.228 3.893 4.120 0.001 0.000 0.248 361 V C 2.403 178.515 176.094 0.030 0.000 1.051 361 V CA 2.165 64.470 62.300 0.008 0.000 1.048 361 V CB -0.621 31.226 31.823 0.040 0.000 0.666 361 V HN 0.587 nan 8.190 nan 0.000 0.456 362 D N 0.409 120.843 120.400 0.056 0.000 2.084 362 D HA -0.185 4.456 4.640 0.001 0.000 0.194 362 D C 2.037 178.365 176.300 0.047 0.000 0.990 362 D CA 1.525 55.560 54.000 0.059 0.000 0.826 362 D CB -0.239 40.606 40.800 0.076 0.000 0.971 362 D HN 0.298 nan 8.370 nan 0.000 0.453 363 L N 0.314 121.567 121.223 0.050 0.000 2.081 363 L HA -0.116 4.225 4.340 0.001 0.000 0.212 363 L C 2.234 179.096 176.870 -0.012 0.000 1.080 363 L CA 1.526 56.366 54.840 0.000 0.000 0.754 363 L CB -0.597 41.396 42.059 -0.110 0.000 0.893 363 L HN 0.151 nan 8.230 nan 0.000 0.433 364 L N -0.876 120.355 121.223 0.013 0.000 2.156 364 L HA -0.036 4.304 4.340 0.001 0.000 0.208 364 L C 2.486 179.491 176.870 0.224 0.000 1.095 364 L CA 1.058 55.956 54.840 0.095 0.000 0.770 364 L CB -1.167 40.785 42.059 -0.178 0.000 0.914 364 L HN 0.446 nan 8.230 nan 0.000 0.439 365 G N -1.225 107.647 108.800 0.120 0.000 2.394 365 G HA2 -0.184 3.777 3.960 0.001 0.000 0.214 365 G HA3 -0.184 3.777 3.960 0.001 0.000 0.214 365 G C 1.491 176.406 174.900 0.025 0.000 1.176 365 G CA 0.065 45.230 45.100 0.108 0.000 0.786 365 G HN 0.200 nan 8.290 nan 0.000 0.533 366 Q N 0.845 120.634 119.800 -0.018 0.000 2.050 366 Q HA -0.040 4.301 4.340 0.001 0.000 0.202 366 Q C 2.928 178.799 176.000 -0.214 0.000 0.980 366 Q CA 1.528 57.277 55.803 -0.091 0.000 0.840 366 Q CB -0.960 27.740 28.738 -0.064 0.000 0.898 366 Q HN 0.430 nan 8.270 nan 0.000 0.424 367 A N 0.772 123.445 122.820 -0.244 0.000 1.972 367 A HA -0.065 4.256 4.320 0.001 0.000 0.219 367 A C 2.309 179.603 177.584 -0.484 0.000 1.169 367 A CA 1.612 53.326 52.037 -0.538 0.000 0.635 367 A CB -0.984 17.538 19.000 -0.797 0.000 0.810 367 A HN 0.454 nan 8.150 nan 0.000 0.446 368 G N -0.486 108.209 108.800 -0.175 0.000 2.498 368 G HA2 -0.047 3.914 3.960 0.001 0.000 0.219 368 G HA3 -0.047 3.914 3.960 0.001 0.000 0.219 368 G C 1.331 176.118 174.900 -0.188 0.000 1.119 368 G CA 1.457 46.481 45.100 -0.128 0.000 0.766 368 G HN 0.879 nan 8.290 nan 0.000 0.552 369 S N -1.091 114.458 115.700 -0.251 0.000 2.701 369 S HA 0.675 5.146 4.470 0.001 0.000 0.242 369 S C 0.851 175.242 174.600 -0.349 0.000 1.025 369 S CA 0.166 58.224 58.200 -0.236 0.000 1.016 369 S CB 0.715 63.822 63.200 -0.155 0.000 0.977 369 S HN 0.504 nan 8.310 nan 0.000 0.546 370 A N 3.324 125.782 122.820 -0.602 0.000 2.366 370 A HA 0.569 4.890 4.320 0.001 0.000 0.249 370 A C -0.806 176.373 177.584 -0.675 0.000 1.084 370 A CA -1.387 50.129 52.037 -0.870 0.000 0.794 370 A CB 0.033 17.909 19.000 -1.873 0.000 1.034 370 A HN 0.231 nan 8.150 nan 0.000 0.491 371 P HA -0.140 nan 4.420 nan 0.000 0.219 371 P C 0.840 178.083 177.300 -0.096 0.000 1.146 371 P CA 1.469 64.441 63.100 -0.213 0.000 0.808 371 P CB -0.127 31.523 31.700 -0.083 0.000 0.779 372 W N -1.690 119.608 121.300 -0.005 0.000 3.400 372 W HA 0.619 5.280 4.660 0.002 0.000 0.347 372 W C 1.082 177.638 176.519 0.061 0.000 1.218 372 W CA -0.006 57.359 57.345 0.033 0.000 1.837 372 W CB -1.166 28.323 29.460 0.048 0.000 1.067 372 W HN -0.119 nan 8.180 nan 0.000 0.701 373 A N 1.781 124.636 122.820 0.059 0.000 1.972 373 A HA -0.307 4.014 4.320 0.001 0.000 0.219 373 A C 2.163 179.891 177.584 0.241 0.000 1.169 373 A CA 2.184 54.277 52.037 0.093 0.000 0.635 373 A CB -0.668 18.263 19.000 -0.116 0.000 0.810 373 A HN 0.381 nan 8.150 nan 0.000 0.446 374 Q N -0.683 119.217 119.800 0.166 0.000 2.084 374 Q HA -0.141 4.200 4.340 0.001 0.000 0.202 374 Q C 2.003 178.120 176.000 0.195 0.000 0.978 374 Q CA 2.594 58.483 55.803 0.144 0.000 0.844 374 Q CB -0.852 27.944 28.738 0.095 0.000 0.898 374 Q HN 0.456 nan 8.270 nan 0.000 0.426 375 T N -0.198 114.511 114.554 0.258 0.000 2.904 375 T HA -0.109 4.242 4.350 0.001 0.000 0.267 375 T C 1.151 176.026 174.700 0.292 0.000 1.059 375 T CA 1.146 63.392 62.100 0.244 0.000 1.137 375 T CB -0.484 68.526 68.868 0.237 0.000 0.879 375 T HN 0.616 nan 8.240 nan 0.000 0.467 376 W N 1.157 122.576 121.300 0.198 0.000 2.380 376 W HA -0.070 4.591 4.660 0.001 0.000 0.317 376 W C 2.169 178.764 176.519 0.126 0.000 1.196 376 W CA 1.225 58.682 57.345 0.188 0.000 1.307 376 W CB -0.925 28.763 29.460 0.381 0.000 1.157 376 W HN 0.212 nan 8.180 nan 0.000 0.483 377 S N 1.315 117.137 115.700 0.204 0.000 2.374 377 S HA -0.209 4.262 4.470 0.001 0.000 0.227 377 S C 2.106 176.684 174.600 -0.036 0.000 1.037 377 S CA 2.173 60.374 58.200 0.003 0.000 1.024 377 S CB -0.843 62.383 63.200 0.044 0.000 0.861 377 S HN 0.415 nan 8.310 nan 0.000 0.456 378 A N 0.989 123.824 122.820 0.026 0.000 2.070 378 A HA -0.070 4.251 4.320 0.001 0.000 0.220 378 A C 2.212 179.789 177.584 -0.011 0.000 1.159 378 A CA 1.785 53.834 52.037 0.019 0.000 0.656 378 A CB -0.557 18.478 19.000 0.058 0.000 0.800 378 A HN 0.631 nan 8.150 nan 0.000 0.453 379 S N -0.915 114.757 115.700 -0.047 0.000 2.503 379 S HA 0.274 4.745 4.470 0.001 0.000 0.217 379 S C 0.598 175.081 174.600 -0.195 0.000 0.999 379 S CA -0.376 57.772 58.200 -0.087 0.000 0.914 379 S CB -0.497 62.670 63.200 -0.056 0.000 0.782 379 S HN 0.362 nan 8.310 nan 0.000 0.520 380 L N 2.625 123.702 121.223 -0.243 0.000 2.453 380 L HA 0.315 4.656 4.340 0.001 0.000 0.272 380 L C -2.470 174.280 176.870 -0.199 0.000 1.182 380 L CA -1.966 52.709 54.840 -0.276 0.000 0.858 380 L CB -0.096 41.789 42.059 -0.290 0.000 1.120 380 L HN 0.025 nan 8.230 nan 0.000 0.474 381 P HA 0.007 nan 4.420 nan 0.000 0.264 381 P C -0.708 176.522 177.300 -0.117 0.000 1.193 381 P CA -0.037 62.952 63.100 -0.184 0.000 0.763 381 P CB 0.601 32.183 31.700 -0.198 0.000 0.810 382 V N 3.553 123.412 119.914 -0.093 0.000 2.407 382 V HA 0.426 4.547 4.120 0.001 0.000 0.278 382 V C 0.670 176.736 176.094 -0.047 0.000 1.037 382 V CA -0.922 61.345 62.300 -0.054 0.000 0.900 382 V CB 0.907 32.706 31.823 -0.040 0.000 0.983 382 V HN 0.661 nan 8.190 nan 0.000 0.459 383 A N 4.019 126.820 122.820 -0.032 0.000 2.567 383 A HA 0.464 4.785 4.320 0.001 0.000 0.240 383 A C 1.536 179.101 177.584 -0.031 0.000 1.053 383 A CA 0.723 52.743 52.037 -0.028 0.000 0.755 383 A CB -0.549 18.440 19.000 -0.017 0.000 0.978 383 A HN 2.250 nan 8.150 nan 0.000 0.507 384 G N 1.405 110.188 108.800 -0.029 0.000 2.155 384 G HA2 -0.185 3.776 3.960 0.001 0.000 0.257 384 G HA3 -0.185 3.776 3.960 0.001 0.000 0.257 384 G C -0.064 174.825 174.900 -0.018 0.000 0.983 384 G CA 0.448 45.534 45.100 -0.023 0.000 0.676 384 G HN 0.827 nan 8.290 nan 0.000 0.528 385 E N 0.564 120.751 120.200 -0.021 0.000 2.109 385 E HA 0.424 4.775 4.350 0.001 0.000 0.278 385 E C 1.050 177.648 176.600 -0.002 0.000 0.954 385 E CA 0.252 56.645 56.400 -0.011 0.000 0.779 385 E CB 1.322 31.012 29.700 -0.015 0.000 1.093 385 E HN 0.425 nan 8.360 nan 0.000 0.401 386 S N 1.364 117.070 115.700 0.010 0.000 2.605 386 S HA -0.014 4.457 4.470 0.001 0.000 0.217 386 S C 0.402 175.029 174.600 0.045 0.000 0.958 386 S CA -0.365 57.848 58.200 0.022 0.000 0.919 386 S CB 0.108 63.319 63.200 0.019 0.000 0.780 386 S HN 0.242 nan 8.310 nan 0.000 0.507 387 D N 2.875 123.306 120.400 0.052 0.000 2.325 387 D HA 0.302 4.943 4.640 0.001 0.000 0.251 387 D C -1.690 174.678 176.300 0.113 0.000 1.196 387 D CA -2.242 51.815 54.000 0.094 0.000 0.866 387 D CB 1.675 42.531 40.800 0.093 0.000 1.101 387 D HN 0.036 nan 8.370 nan 0.000 0.476 388 P HA -0.111 nan 4.420 nan 0.000 0.216 388 P C 0.982 178.327 177.300 0.075 0.000 1.150 388 P CA 0.951 64.159 63.100 0.180 0.000 0.843 388 P CB 0.029 31.907 31.700 0.298 0.000 0.787 389 F N -1.885 118.156 119.950 0.151 0.000 2.811 389 F HA -0.028 4.500 4.527 0.001 0.000 0.301 389 F C 1.873 177.647 175.800 -0.045 0.000 1.151 389 F CA 0.540 58.584 58.000 0.072 0.000 1.412 389 F CB -0.179 38.917 39.000 0.161 0.000 1.113 389 F HN -0.235 nan 8.300 nan 0.000 0.579 390 V N -1.732 118.234 119.914 0.087 0.000 2.743 390 V HA 0.146 4.267 4.120 0.001 0.000 0.237 390 V C 2.377 178.430 176.094 -0.068 0.000 1.113 390 V CA 1.356 63.666 62.300 0.016 0.000 1.141 390 V CB -0.710 31.137 31.823 0.039 0.000 0.873 390 V HN 0.239 nan 8.190 nan 0.000 0.486 391 G N -0.721 108.034 108.800 -0.075 0.000 2.683 391 G HA2 0.347 4.308 3.960 0.001 0.000 0.213 391 G HA3 0.347 4.308 3.960 0.001 0.000 0.213 391 G C 1.191 175.977 174.900 -0.191 0.000 1.142 391 G CA 0.963 46.001 45.100 -0.105 0.000 0.793 391 G HN 0.776 nan 8.290 nan 0.000 0.534 392 G N 0.563 109.168 108.800 -0.324 0.000 2.672 392 G HA2 -0.416 3.545 3.960 0.001 0.000 0.324 392 G HA3 -0.416 3.545 3.960 0.001 0.000 0.324 392 G C 1.553 176.307 174.900 -0.243 0.000 1.286 392 G CA 2.494 47.269 45.100 -0.540 0.000 1.004 392 G HN 1.179 nan 8.290 nan 0.000 0.548 393 T N -1.347 113.079 114.554 -0.213 0.000 3.113 393 T HA 0.271 4.622 4.350 0.001 0.000 0.263 393 T C 1.872 176.520 174.700 -0.088 0.000 1.143 393 T CA 1.679 63.716 62.100 -0.106 0.000 1.090 393 T CB 0.084 68.894 68.868 -0.097 0.000 0.922 393 T HN 0.393 nan 8.240 nan 0.000 0.521 394 L N 0.424 121.586 121.223 -0.101 0.000 2.607 394 L HA 0.583 4.924 4.340 0.001 0.000 0.228 394 L C 2.390 179.228 176.870 -0.053 0.000 1.123 394 L CA -0.149 54.649 54.840 -0.070 0.000 0.890 394 L CB -0.692 41.325 42.059 -0.070 0.000 1.103 394 L HN 0.357 nan 8.230 nan 0.000 0.468 395 A N -0.352 122.437 122.820 -0.052 0.000 2.125 395 A HA -0.130 4.191 4.320 0.001 0.000 0.219 395 A C 1.642 179.215 177.584 -0.019 0.000 1.156 395 A CA 1.487 53.506 52.037 -0.030 0.000 0.671 395 A CB -0.290 18.702 19.000 -0.014 0.000 0.794 395 A HN 0.465 nan 8.150 nan 0.000 0.459 396 N N -0.966 117.722 118.700 -0.021 0.000 2.197 396 N HA 0.165 4.906 4.740 0.001 0.000 0.228 396 N C -0.287 175.210 175.510 -0.022 0.000 1.212 396 N CA 0.071 53.111 53.050 -0.017 0.000 0.883 396 N CB 0.603 39.082 38.487 -0.015 0.000 1.107 396 N HN 0.439 nan 8.380 nan 0.000 0.519 397 R N -0.165 120.319 120.500 -0.026 0.000 2.711 397 R HA 0.459 4.799 4.340 0.001 0.000 0.284 397 R C 0.452 176.735 176.300 -0.027 0.000 0.968 397 R CA -0.589 55.494 56.100 -0.028 0.000 0.924 397 R CB 1.547 31.828 30.300 -0.032 0.000 1.162 397 R HN -0.044 nan 8.270 nan 0.000 0.465 398 M N 0.299 119.882 119.600 -0.029 0.000 2.751 398 M HA -0.273 4.208 4.480 0.001 0.000 0.199 398 M C -0.459 175.826 176.300 -0.025 0.000 0.550 398 M CA 1.044 56.326 55.300 -0.030 0.000 0.640 398 M CB -1.204 31.377 32.600 -0.032 0.000 2.351 398 M HN 0.510 nan 8.290 nan 0.000 0.613 399 R N 0.778 121.265 120.500 -0.022 0.000 2.491 399 R HA 0.316 4.657 4.340 0.001 0.000 0.283 399 R C 1.366 177.656 176.300 -0.016 0.000 1.072 399 R CA 1.023 57.113 56.100 -0.017 0.000 1.048 399 R CB 0.506 30.797 30.300 -0.014 0.000 0.983 399 R HN 0.560 nan 8.270 nan 0.000 0.450 400 G N 1.935 110.726 108.800 -0.014 0.000 2.179 400 G HA2 -0.308 3.653 3.960 0.001 0.000 0.257 400 G HA3 -0.308 3.653 3.960 0.001 0.000 0.257 400 G C 0.310 175.204 174.900 -0.011 0.000 1.010 400 G CA 0.855 45.949 45.100 -0.010 0.000 0.736 400 G HN 0.741 nan 8.290 nan 0.000 0.513 401 T N -4.263 110.282 114.554 -0.015 0.000 2.870 401 T HA 0.802 5.153 4.350 0.001 0.000 0.277 401 T C 1.623 176.316 174.700 -0.011 0.000 1.000 401 T CA 0.353 62.444 62.100 -0.014 0.000 0.982 401 T CB 1.583 70.437 68.868 -0.022 0.000 1.249 401 T HN 1.256 nan 8.240 nan 0.000 0.589 402 A N -0.231 122.587 122.820 -0.002 0.000 2.119 402 A HA 0.396 4.717 4.320 0.001 0.000 0.217 402 A C 2.329 179.903 177.584 -0.017 0.000 1.153 402 A CA 1.235 53.282 52.037 0.017 0.000 0.692 402 A CB -1.307 17.721 19.000 0.048 0.000 0.799 402 A HN 1.162 nan 8.150 nan 0.000 0.458 403 A N -0.522 122.278 122.820 -0.033 0.000 2.169 403 A HA 0.115 4.436 4.320 0.001 0.000 0.212 403 A C 0.984 178.530 177.584 -0.063 0.000 1.153 403 A CA 0.189 52.193 52.037 -0.054 0.000 0.756 403 A CB -0.273 18.703 19.000 -0.040 0.000 0.813 403 A HN 0.556 nan 8.150 nan 0.000 0.471 404 E N 0.166 120.336 120.200 -0.051 0.000 2.406 404 E HA 0.273 4.624 4.350 0.001 0.000 0.258 404 E C 1.083 177.648 176.600 -0.059 0.000 1.043 404 E CA 0.628 57.002 56.400 -0.044 0.000 0.929 404 E CB -0.180 29.503 29.700 -0.029 0.000 0.969 404 E HN 0.666 nan 8.360 nan 0.000 0.462 405 G N 2.630 111.400 108.800 -0.051 0.000 2.157 405 G HA2 -0.261 3.700 3.960 0.001 0.000 0.248 405 G HA3 -0.261 3.700 3.960 0.001 0.000 0.248 405 G C 0.522 175.378 174.900 -0.073 0.000 0.979 405 G CA 0.263 45.333 45.100 -0.051 0.000 0.650 405 G HN 0.483 nan 8.290 nan 0.000 0.529 406 V N -0.814 119.043 119.914 -0.095 0.000 3.161 406 V HA 0.276 4.397 4.120 0.001 0.000 0.221 406 V C 1.700 177.769 176.094 -0.042 0.000 1.296 406 V CA 0.659 62.877 62.300 -0.137 0.000 1.306 406 V CB 0.119 31.734 31.823 -0.346 0.000 1.171 406 V HN 0.214 nan 8.190 nan 0.000 0.513 407 V N 2.381 122.290 119.914 -0.008 0.000 2.599 407 V HA 0.060 4.181 4.120 0.001 0.000 0.300 407 V C 0.033 176.170 176.094 0.072 0.000 1.034 407 V CA 0.590 62.942 62.300 0.086 0.000 1.115 407 V CB 0.307 32.189 31.823 0.100 0.000 0.934 407 V HN 0.522 nan 8.190 nan 0.000 0.485 408 E N 3.473 123.739 120.200 0.109 0.000 2.155 408 E HA 0.737 5.088 4.350 0.001 0.000 0.264 408 E C -0.369 176.225 176.600 -0.010 0.000 0.886 408 E CA -0.262 56.166 56.400 0.048 0.000 0.752 408 E CB 1.833 31.584 29.700 0.084 0.000 1.133 408 E HN 0.866 nan 8.360 nan 0.000 0.414 409 A N 2.956 125.722 122.820 -0.090 0.000 2.612 409 A HA 0.644 4.965 4.320 0.001 0.000 0.293 409 A C -1.528 175.935 177.584 -0.202 0.000 1.075 409 A CA -0.847 51.082 52.037 -0.179 0.000 0.680 409 A CB 1.661 20.631 19.000 -0.049 0.000 1.279 409 A HN 0.354 nan 8.150 nan 0.000 0.411 410 K N 0.755 121.006 120.400 -0.249 0.000 2.221 410 K HA 0.707 5.028 4.320 0.001 0.000 0.258 410 K C 0.290 176.795 176.600 -0.159 0.000 0.944 410 K CA 0.349 56.498 56.287 -0.230 0.000 0.823 410 K CB 1.259 33.588 32.500 -0.284 0.000 1.113 410 K HN 0.976 nan 8.250 nan 0.000 0.431 411 T N -0.438 114.035 114.554 -0.135 0.000 2.892 411 T HA 0.884 5.234 4.350 0.001 0.000 0.280 411 T C 0.071 174.720 174.700 -0.085 0.000 1.004 411 T CA -0.639 61.404 62.100 -0.094 0.000 0.950 411 T CB 1.429 70.243 68.868 -0.091 0.000 1.309 411 T HN 0.704 nan 8.240 nan 0.000 0.592 412 G N -0.161 108.596 108.800 -0.071 0.000 2.046 412 G HA2 0.439 4.400 3.960 0.001 0.000 0.245 412 G HA3 0.439 4.400 3.960 0.001 0.000 0.245 412 G C -1.003 173.859 174.900 -0.063 0.000 1.723 412 G CA -0.765 44.292 45.100 -0.072 0.000 0.909 412 G HN 0.806 nan 8.290 nan 0.000 0.737 413 T N 3.094 117.595 114.554 -0.089 0.000 2.928 413 T HA 0.754 5.105 4.350 0.001 0.000 0.296 413 T C 0.323 174.950 174.700 -0.123 0.000 1.000 413 T CA -0.482 61.572 62.100 -0.077 0.000 0.989 413 T CB 1.309 70.136 68.868 -0.067 0.000 1.005 413 T HN 0.978 nan 8.240 nan 0.000 0.442 414 M N -0.157 119.385 119.600 -0.098 0.000 2.716 414 M HA 0.685 5.166 4.480 0.001 0.000 0.278 414 M C -0.373 175.886 176.300 -0.069 0.000 1.281 414 M CA -1.093 54.129 55.300 -0.131 0.000 0.814 414 M CB 1.548 34.023 32.600 -0.209 0.000 1.719 414 M HN 0.242 nan 8.290 nan 0.000 0.457 415 S N 1.281 116.941 115.700 -0.066 0.000 3.361 415 S HA 0.251 4.722 4.470 0.001 0.000 0.396 415 S C 1.168 175.733 174.600 -0.059 0.000 1.165 415 S CA 1.641 59.828 58.200 -0.022 0.000 1.192 415 S CB -1.033 62.187 63.200 0.033 0.000 0.843 415 S HN 1.283 nan 8.310 nan 0.000 0.528 416 G N 2.045 110.778 108.800 -0.112 0.000 2.159 416 G HA2 -0.224 3.737 3.960 0.001 0.000 0.256 416 G HA3 -0.224 3.737 3.960 0.001 0.000 0.256 416 G C -0.034 174.665 174.900 -0.334 0.000 0.977 416 G CA 0.042 44.925 45.100 -0.362 0.000 0.652 416 G HN 0.883 nan 8.290 nan 0.000 0.531 417 V N -0.544 119.338 119.914 -0.052 0.000 2.808 417 V HA 0.887 5.008 4.120 0.001 0.000 0.308 417 V C -0.129 176.042 176.094 0.129 0.000 1.099 417 V CA -0.124 62.209 62.300 0.055 0.000 0.920 417 V CB 2.045 33.858 31.823 -0.016 0.000 1.014 417 V HN 0.976 nan 8.190 nan 0.000 0.425 418 S N 2.048 117.833 115.700 0.141 0.000 2.560 418 S HA 0.871 5.342 4.470 0.001 0.000 0.283 418 S C -1.217 173.407 174.600 0.041 0.000 1.141 418 S CA 0.325 58.562 58.200 0.062 0.000 0.902 418 S CB 1.670 64.885 63.200 0.025 0.000 1.104 418 S HN 1.807 nan 8.310 nan 0.000 0.454 419 A N 2.572 125.400 122.820 0.012 0.000 2.549 419 A HA 0.872 5.192 4.320 0.001 0.000 0.297 419 A C -1.928 175.658 177.584 0.003 0.000 1.061 419 A CA -0.586 51.461 52.037 0.017 0.000 0.690 419 A CB 1.762 20.773 19.000 0.020 0.000 1.287 419 A HN 1.309 nan 8.150 nan 0.000 0.402 420 L N 1.136 122.377 121.223 0.031 0.000 2.482 420 L HA 0.782 5.123 4.340 0.001 0.000 0.269 420 L C -0.973 175.912 176.870 0.024 0.000 0.967 420 L CA 0.325 55.191 54.840 0.043 0.000 0.851 420 L CB 2.036 44.166 42.059 0.118 0.000 1.242 420 L HN 0.617 nan 8.230 nan 0.000 0.404 421 S N 2.754 118.319 115.700 -0.225 0.000 2.541 421 S HA 1.018 5.488 4.470 0.001 0.000 0.280 421 S C -0.207 173.904 174.600 -0.815 0.000 1.112 421 S CA -0.082 57.786 58.200 -0.553 0.000 0.925 421 S CB 1.841 64.845 63.200 -0.326 0.000 1.067 421 S HN 1.146 nan 8.310 nan 0.000 0.479 422 G N 1.168 109.155 108.800 -1.354 0.000 2.435 422 G HA2 0.490 4.451 3.960 0.001 0.000 0.228 422 G HA3 0.490 4.451 3.960 0.001 0.000 0.228 422 G C -2.414 171.893 174.900 -0.988 0.000 1.198 422 G CA -0.510 43.971 45.100 -1.031 0.000 0.948 422 G HN 0.492 nan 8.290 nan 0.000 0.487 423 Y N -1.407 118.800 120.300 -0.154 0.000 2.570 423 Y HA 0.687 5.238 4.550 0.001 0.000 0.345 423 Y C -0.105 175.922 175.900 0.211 0.000 1.014 423 Y CA -0.976 57.169 58.100 0.076 0.000 1.063 423 Y CB 2.743 41.243 38.460 0.067 0.000 1.272 423 Y HN 0.310 nan 8.280 nan 0.000 0.477 424 V N 3.050 123.209 119.914 0.409 0.000 2.443 424 V HA 0.345 4.466 4.120 0.001 0.000 0.272 424 V C -2.611 173.634 176.094 0.253 0.000 1.002 424 V CA -1.831 60.646 62.300 0.294 0.000 0.840 424 V CB 0.963 32.947 31.823 0.267 0.000 1.042 424 V HN 0.515 nan 8.190 nan 0.000 0.446 425 P HA 0.653 nan 4.420 nan 0.000 0.274 425 P C 0.233 177.720 177.300 0.312 0.000 1.246 425 P CA 0.097 63.309 63.100 0.188 0.000 0.795 425 P CB 1.243 33.012 31.700 0.116 0.000 1.006 426 G N -0.144 108.772 108.800 0.193 0.000 2.451 426 G HA2 0.332 4.293 3.960 0.001 0.000 0.292 426 G HA3 0.332 4.293 3.960 0.001 0.000 0.292 426 G C -2.491 172.415 174.900 0.009 0.000 1.427 426 G CA -0.754 44.403 45.100 0.096 0.000 0.792 426 G HN 0.187 nan 8.290 nan 0.000 0.498 427 P HA -0.063 nan 4.420 nan 0.000 0.222 427 P C 0.947 178.226 177.300 -0.035 0.000 1.142 427 P CA 1.323 64.399 63.100 -0.041 0.000 0.788 427 P CB 0.311 31.969 31.700 -0.070 0.000 0.767 428 E N -0.805 119.369 120.200 -0.043 0.000 2.364 428 E HA 0.325 4.676 4.350 0.001 0.000 0.196 428 E C 0.964 177.564 176.600 -0.000 0.000 0.990 428 E CA 0.550 56.928 56.400 -0.037 0.000 0.886 428 E CB 0.303 29.958 29.700 -0.075 0.000 0.866 428 E HN 0.212 nan 8.360 nan 0.000 0.493 429 G N 2.353 111.167 108.800 0.023 0.000 2.801 429 G HA2 -0.121 3.840 3.960 0.001 0.000 0.648 429 G HA3 -0.121 3.840 3.960 0.001 0.000 0.648 429 G C -1.129 173.822 174.900 0.085 0.000 1.415 429 G CA -0.785 44.343 45.100 0.047 0.000 0.887 429 G HN 0.067 nan 8.290 nan 0.000 0.627 430 E N 0.506 120.761 120.200 0.091 0.000 2.480 430 E HA 0.238 4.589 4.350 0.001 0.000 0.258 430 E C 0.070 176.785 176.600 0.191 0.000 0.984 430 E CA -0.255 56.227 56.400 0.137 0.000 0.930 430 E CB 0.310 30.066 29.700 0.093 0.000 0.936 430 E HN 0.342 nan 8.360 nan 0.000 0.466 431 L N 3.693 125.059 121.223 0.239 0.000 2.312 431 L HA 0.466 4.806 4.340 0.001 0.000 0.281 431 L C -0.108 176.954 176.870 0.319 0.000 1.070 431 L CA 0.010 55.004 54.840 0.256 0.000 0.805 431 L CB 1.471 43.680 42.059 0.250 0.000 1.174 431 L HN 0.618 nan 8.230 nan 0.000 0.434 432 A N 3.749 126.719 122.820 0.249 0.000 2.342 432 A HA 0.836 5.157 4.320 0.001 0.000 0.323 432 A C -1.048 176.620 177.584 0.140 0.000 1.125 432 A CA -0.400 51.710 52.037 0.122 0.000 0.785 432 A CB 0.739 19.783 19.000 0.073 0.000 1.221 432 A HN 0.562 nan 8.150 nan 0.000 0.463 433 F N 0.581 120.489 119.950 -0.071 0.000 2.613 433 F HA 0.850 5.377 4.527 0.001 0.000 0.310 433 F C -0.544 175.217 175.800 -0.065 0.000 1.085 433 F CA -0.840 57.134 58.000 -0.043 0.000 0.945 433 F CB 1.574 40.556 39.000 -0.029 0.000 1.298 433 F HN 0.517 nan 8.300 nan 0.000 0.455 434 S N 2.886 118.680 115.700 0.156 0.000 2.541 434 S HA 0.849 5.320 4.470 0.001 0.000 0.280 434 S C -1.496 173.228 174.600 0.206 0.000 1.112 434 S CA -0.569 57.673 58.200 0.070 0.000 0.925 434 S CB 1.124 64.331 63.200 0.011 0.000 1.067 434 S HN 0.685 nan 8.310 nan 0.000 0.479 435 I N 3.752 124.429 120.570 0.178 0.000 2.512 435 I HA 0.478 4.649 4.170 0.001 0.000 0.287 435 I C -1.227 174.943 176.117 0.089 0.000 1.069 435 I CA -0.790 60.592 61.300 0.136 0.000 1.056 435 I CB 2.203 40.280 38.000 0.130 0.000 1.229 435 I HN 0.346 nan 8.210 nan 0.000 0.429 436 V N 5.466 125.428 119.914 0.080 0.000 2.443 436 V HA 0.430 4.551 4.120 0.001 0.000 0.293 436 V C -0.518 175.621 176.094 0.076 0.000 1.021 436 V CA -0.737 61.606 62.300 0.071 0.000 0.848 436 V CB 1.684 33.549 31.823 0.071 0.000 0.998 436 V HN 0.638 nan 8.190 nan 0.000 0.424 437 N N 4.401 123.152 118.700 0.086 0.000 2.424 437 N HA 0.463 5.204 4.740 0.001 0.000 0.271 437 N C -0.895 174.726 175.510 0.184 0.000 0.985 437 N CA -0.260 52.868 53.050 0.130 0.000 0.921 437 N CB 1.915 40.457 38.487 0.092 0.000 1.149 437 N HN 0.704 nan 8.380 nan 0.000 0.492 438 N N -0.277 118.506 118.700 0.139 0.000 2.272 438 N HA 0.435 5.176 4.740 0.001 0.000 0.305 438 N C 0.503 176.016 175.510 0.006 0.000 1.103 438 N CA -0.588 52.491 53.050 0.048 0.000 0.791 438 N CB 2.273 40.771 38.487 0.018 0.000 1.356 438 N HN 0.628 nan 8.380 nan 0.000 0.486 439 G N 0.898 109.597 108.800 -0.168 0.000 2.157 439 G HA2 -0.235 3.726 3.960 0.001 0.000 0.248 439 G HA3 -0.235 3.726 3.960 0.001 0.000 0.248 439 G C -0.069 174.752 174.900 -0.132 0.000 0.979 439 G CA 0.065 45.083 45.100 -0.137 0.000 0.650 439 G HN 0.856 nan 8.290 nan 0.000 0.529 440 H N -0.254 118.822 119.070 0.010 0.000 2.690 440 H HA 0.610 5.167 4.556 0.001 0.000 0.365 440 H C 1.149 176.481 175.328 0.008 0.000 1.142 440 H CA 0.287 56.339 56.048 0.007 0.000 1.417 440 H CB 1.114 30.878 29.762 0.003 0.000 1.446 440 H HN -0.016 nan 8.280 nan 0.000 0.599 441 S N 1.430 117.200 115.700 0.116 0.000 2.414 441 S HA 0.066 4.537 4.470 0.001 0.000 0.227 441 S C 1.358 176.010 174.600 0.086 0.000 1.022 441 S CA 0.606 58.842 58.200 0.061 0.000 0.958 441 S CB -0.023 63.205 63.200 0.045 0.000 0.797 441 S HN 0.861 nan 8.310 nan 0.000 0.493 442 G N 1.303 110.187 108.800 0.140 0.000 2.782 442 G HA2 0.531 4.492 3.960 0.001 0.000 0.201 442 G HA3 0.531 4.492 3.960 0.001 0.000 0.201 442 G C -2.708 172.272 174.900 0.133 0.000 1.374 442 G CA -1.073 44.088 45.100 0.101 0.000 1.039 442 G HN 0.145 nan 8.290 nan 0.000 0.576 443 P HA 0.354 nan 4.420 nan 0.000 0.268 443 P C 0.033 177.335 177.300 0.004 0.000 1.208 443 P CA -0.084 63.039 63.100 0.038 0.000 0.777 443 P CB 0.344 32.044 31.700 -0.000 0.000 0.875 444 A N 4.116 126.931 122.820 -0.008 0.000 2.598 444 A HA 0.100 4.421 4.320 0.001 0.000 0.239 444 A C -1.516 175.950 177.584 -0.195 0.000 1.032 444 A CA -0.483 51.485 52.037 -0.115 0.000 0.760 444 A CB -1.153 17.817 19.000 -0.050 0.000 0.946 444 A HN 0.430 nan 8.150 nan 0.000 0.512 445 P HA 0.133 nan 4.420 nan 0.000 0.226 445 P C 0.700 177.915 177.300 -0.141 0.000 1.783 445 P CA -0.014 62.949 63.100 -0.228 0.000 0.980 445 P CB -0.037 31.493 31.700 -0.283 0.000 1.967 446 L N 0.684 121.844 121.223 -0.105 0.000 2.056 446 L HA -0.144 4.197 4.340 0.001 0.000 0.207 446 L C 2.508 179.338 176.870 -0.067 0.000 1.078 446 L CA 1.761 56.556 54.840 -0.075 0.000 0.749 446 L CB -1.006 41.016 42.059 -0.060 0.000 0.901 446 L HN 0.124 nan 8.230 nan 0.000 0.433 447 A N -0.547 122.233 122.820 -0.065 0.000 2.067 447 A HA -0.069 4.252 4.320 0.001 0.000 0.219 447 A C 2.303 179.849 177.584 -0.064 0.000 1.158 447 A CA 1.130 53.132 52.037 -0.058 0.000 0.661 447 A CB -0.531 18.439 19.000 -0.050 0.000 0.801 447 A HN 0.206 nan 8.150 nan 0.000 0.452 448 V N -0.254 119.616 119.914 -0.072 0.000 2.379 448 V HA -0.272 3.849 4.120 0.001 0.000 0.245 448 V C 2.528 178.572 176.094 -0.083 0.000 1.044 448 V CA 2.088 64.343 62.300 -0.076 0.000 1.036 448 V CB -0.819 30.957 31.823 -0.078 0.000 0.664 448 V HN 0.629 nan 8.190 nan 0.000 0.453 449 Q N -0.455 119.300 119.800 -0.075 0.000 2.226 449 Q HA -0.217 4.124 4.340 0.001 0.000 0.204 449 Q C 1.854 177.803 176.000 -0.084 0.000 0.975 449 Q CA 1.551 57.315 55.803 -0.066 0.000 0.866 449 Q CB -0.141 28.576 28.738 -0.035 0.000 0.915 449 Q HN 0.606 nan 8.270 nan 0.000 0.440 450 D N -0.063 120.291 120.400 -0.076 0.000 2.194 450 D HA -0.035 4.606 4.640 0.001 0.000 0.204 450 D C 1.608 177.850 176.300 -0.097 0.000 0.964 450 D CA 0.994 54.949 54.000 -0.076 0.000 0.846 450 D CB -0.003 40.763 40.800 -0.057 0.000 0.962 450 D HN 0.233 nan 8.370 nan 0.000 0.490 451 A N 0.359 123.120 122.820 -0.098 0.000 1.929 451 A HA -0.045 4.275 4.320 0.001 0.000 0.216 451 A C 2.258 179.759 177.584 -0.138 0.000 1.176 451 A CA 0.625 52.602 52.037 -0.100 0.000 0.628 451 A CB -0.472 18.477 19.000 -0.085 0.000 0.816 451 A HN 0.157 nan 8.150 nan 0.000 0.444 452 I N -0.285 120.178 120.570 -0.178 0.000 2.233 452 I HA -0.211 3.960 4.170 0.001 0.000 0.243 452 I C 2.985 178.904 176.117 -0.331 0.000 1.093 452 I CA 0.947 62.095 61.300 -0.253 0.000 1.380 452 I CB -0.402 37.434 38.000 -0.272 0.000 1.067 452 I HN 0.322 nan 8.210 nan 0.000 0.413 453 A N 0.499 123.091 122.820 -0.380 0.000 1.917 453 A HA -0.185 4.136 4.320 0.001 0.000 0.219 453 A C 2.451 179.896 177.584 -0.232 0.000 1.182 453 A CA 2.009 53.781 52.037 -0.441 0.000 0.633 453 A CB -1.037 17.774 19.000 -0.315 0.000 0.819 453 A HN 0.261 nan 8.150 nan 0.000 0.448 454 V N -0.398 119.425 119.914 -0.151 0.000 2.358 454 V HA -0.197 3.924 4.120 0.001 0.000 0.246 454 V C 2.656 178.712 176.094 -0.063 0.000 1.047 454 V CA 2.294 64.544 62.300 -0.084 0.000 1.035 454 V CB -0.710 31.074 31.823 -0.064 0.000 0.658 454 V HN 0.653 nan 8.190 nan 0.000 0.452 455 R N 0.280 120.726 120.500 -0.090 0.000 2.081 455 R HA -0.089 4.252 4.340 0.001 0.000 0.235 455 R C 2.064 178.340 176.300 -0.041 0.000 1.131 455 R CA 1.676 57.735 56.100 -0.067 0.000 0.960 455 R CB -0.643 29.591 30.300 -0.110 0.000 0.856 455 R HN 0.466 nan 8.270 nan 0.000 0.436 456 L N -0.354 120.804 121.223 -0.109 0.000 2.131 456 L HA -0.105 4.236 4.340 0.001 0.000 0.210 456 L C 2.392 179.311 176.870 0.081 0.000 1.092 456 L CA 1.342 56.149 54.840 -0.054 0.000 0.759 456 L CB -0.565 41.378 42.059 -0.193 0.000 0.903 456 L HN 0.340 nan 8.230 nan 0.000 0.435 457 A N -0.458 122.396 122.820 0.056 0.000 1.970 457 A HA -0.152 4.169 4.320 0.001 0.000 0.216 457 A C 2.142 179.830 177.584 0.172 0.000 1.170 457 A CA 1.053 53.180 52.037 0.149 0.000 0.645 457 A CB -0.235 18.811 19.000 0.077 0.000 0.816 457 A HN 0.391 nan 8.150 nan 0.000 0.447 458 E N -1.470 118.793 120.200 0.105 0.000 2.047 458 E HA -0.199 4.152 4.350 0.001 0.000 0.191 458 E C 1.823 178.475 176.600 0.088 0.000 0.987 458 E CA 1.416 57.866 56.400 0.084 0.000 0.799 458 E CB -0.313 29.421 29.700 0.057 0.000 0.752 458 E HN 0.750 nan 8.360 nan 0.000 0.449 459 Y N 1.089 121.385 120.300 -0.006 0.000 2.128 459 Y HA -0.235 4.316 4.550 0.001 0.000 0.284 459 Y C 2.063 177.956 175.900 -0.012 0.000 1.154 459 Y CA 1.552 59.645 58.100 -0.010 0.000 1.149 459 Y CB -0.326 38.127 38.460 -0.012 0.000 0.976 459 Y HN -0.003 nan 8.280 nan 0.000 0.505 460 A N -0.190 122.681 122.820 0.085 0.000 2.248 460 A HA 0.200 4.521 4.320 0.001 0.000 0.210 460 A C 1.670 179.127 177.584 -0.212 0.000 1.174 460 A CA 1.102 53.126 52.037 -0.022 0.000 0.750 460 A CB -1.516 17.566 19.000 0.136 0.000 0.780 460 A HN 1.103 nan 8.150 nan 0.000 0.478 461 G N -0.905 107.773 108.800 -0.202 0.000 2.255 461 G HA2 -0.143 3.818 3.960 0.001 0.000 0.239 461 G HA3 -0.143 3.818 3.960 0.001 0.000 0.239 461 G C -0.283 174.401 174.900 -0.360 0.000 1.083 461 G CA 0.077 45.023 45.100 -0.258 0.000 0.826 461 G HN 0.692 nan 8.290 nan 0.000 0.493 462 H N -0.429 118.636 119.070 -0.008 0.000 2.621 462 H HA 0.666 5.223 4.556 0.001 0.000 0.360 462 H C 0.157 175.482 175.328 -0.004 0.000 1.163 462 H CA -0.195 55.852 56.048 -0.002 0.000 1.194 462 H CB 1.783 31.550 29.762 0.007 0.000 1.649 462 H HN 0.467 nan 8.280 nan 0.000 0.532 463 Q N 0.092 119.972 119.800 0.132 0.000 2.451 463 Q HA 0.587 4.928 4.340 0.001 0.000 0.281 463 Q C -0.709 175.321 176.000 0.050 0.000 1.099 463 Q CA -1.190 54.653 55.803 0.066 0.000 0.806 463 Q CB 2.970 31.730 28.738 0.036 0.000 1.419 463 Q HN 0.762 nan 8.270 nan 0.000 0.427 464 A N 2.341 125.178 122.820 0.028 0.000 2.546 464 A HA 0.284 4.605 4.320 0.001 0.000 0.243 464 A C -1.900 175.692 177.584 0.013 0.000 1.063 464 A CA -0.621 51.425 52.037 0.014 0.000 0.757 464 A CB -0.682 18.322 19.000 0.006 0.000 0.991 464 A HN 0.472 nan 8.150 nan 0.000 0.503 465 P HA 0.568 nan 4.420 nan 0.000 0.327 465 P C 0.399 177.703 177.300 0.006 0.000 1.342 465 P CA 0.735 63.840 63.100 0.008 0.000 0.761 465 P CB 0.202 31.903 31.700 0.002 0.000 1.675 466 E N 0.000 120.203 120.200 0.005 0.000 2.725 466 E HA 0.000 4.351 4.350 0.001 0.000 0.291 466 E CA 0.000 nan 56.400 nan 0.000 0.976 466 E CB 0.000 nan 29.700 nan 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440