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 1w79_1_A 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 GHQAPEG 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 0.000 176.449 176.300 0.249 0.000 0.893 1 R CA 0.000 56.220 56.100 0.199 0.000 0.921 1 R CB 0.000 30.443 30.300 0.238 0.000 0.687 2 L N 1.978 123.319 121.223 0.197 0.000 2.013 2 L HA -0.193 4.145 4.340 -0.004 0.000 0.212 2 L C 2.249 179.148 176.870 0.048 0.000 1.073 2 L CA 2.556 57.455 54.840 0.098 0.000 0.753 2 L CB -0.413 41.696 42.059 0.084 0.000 0.890 2 L HN 0.399 nan 8.230 nan 0.000 0.432 3 T N -3.496 111.092 114.554 0.056 0.000 2.788 3 T HA -0.279 4.069 4.350 -0.004 0.000 0.268 3 T C 1.630 176.354 174.700 0.041 0.000 1.044 3 T CA 1.477 63.601 62.100 0.040 0.000 1.139 3 T CB -0.341 68.548 68.868 0.035 0.000 0.867 3 T HN 0.420 nan 8.240 nan 0.000 0.454 4 E N 0.447 120.678 120.200 0.053 0.000 2.107 4 E HA -0.072 4.275 4.350 -0.004 0.000 0.191 4 E C 2.124 178.743 176.600 0.032 0.000 0.982 4 E CA 0.638 57.067 56.400 0.048 0.000 0.809 4 E CB -0.157 29.582 29.700 0.064 0.000 0.756 4 E HN 0.401 nan 8.360 nan 0.000 0.459 5 L N 1.416 122.648 121.223 0.015 0.000 2.017 5 L HA -0.154 4.184 4.340 -0.004 0.000 0.208 5 L C 2.295 179.141 176.870 -0.040 0.000 1.073 5 L CA 1.738 56.531 54.840 -0.077 0.000 0.745 5 L CB -0.325 41.537 42.059 -0.328 0.000 0.894 5 L HN -0.011 nan 8.230 nan 0.000 0.432 6 R N -0.416 120.104 120.500 0.034 0.000 2.081 6 R HA -0.170 4.168 4.340 -0.004 0.000 0.235 6 R C 2.187 178.575 176.300 0.147 0.000 1.131 6 R CA 1.827 58.032 56.100 0.175 0.000 0.960 6 R CB -0.405 29.966 30.300 0.118 0.000 0.856 6 R HN 0.531 nan 8.270 nan 0.000 0.436 7 E N 0.245 120.487 120.200 0.069 0.000 2.106 7 E HA -0.160 4.188 4.350 -0.004 0.000 0.192 7 E C 1.454 178.070 176.600 0.027 0.000 0.984 7 E CA 1.108 57.539 56.400 0.050 0.000 0.806 7 E CB 0.051 29.770 29.700 0.032 0.000 0.750 7 E HN 0.294 nan 8.360 nan 0.000 0.458 8 D N 0.551 120.952 120.400 0.002 0.000 2.117 8 D HA -0.114 4.523 4.640 -0.004 0.000 0.198 8 D C 1.972 178.231 176.300 -0.067 0.000 0.982 8 D CA 0.857 54.840 54.000 -0.029 0.000 0.828 8 D CB -0.112 40.665 40.800 -0.038 0.000 0.967 8 D HN 0.201 nan 8.370 nan 0.000 0.464 9 I N 1.044 121.543 120.570 -0.118 0.000 2.252 9 I HA -0.217 3.950 4.170 -0.004 0.000 0.245 9 I C 1.853 177.899 176.117 -0.118 0.000 1.102 9 I CA 0.873 62.021 61.300 -0.253 0.000 1.385 9 I CB -0.147 37.446 38.000 -0.677 0.000 1.064 9 I HN -0.150 nan 8.210 nan 0.000 0.414 10 D N 1.323 121.753 120.400 0.050 0.000 2.116 10 D HA -0.196 4.442 4.640 -0.004 0.000 0.193 10 D C 2.269 178.591 176.300 0.036 0.000 0.998 10 D CA 1.780 55.847 54.000 0.112 0.000 0.836 10 D CB -0.195 40.677 40.800 0.120 0.000 0.951 10 D HN 0.346 nan 8.370 nan 0.000 0.449 11 A N 0.491 123.317 122.820 0.010 0.000 1.902 11 A HA -0.150 4.167 4.320 -0.004 0.000 0.217 11 A C 2.422 179.994 177.584 -0.019 0.000 1.181 11 A CA 1.047 53.082 52.037 -0.003 0.000 0.623 11 A CB -0.743 18.252 19.000 -0.008 0.000 0.818 11 A HN 0.237 nan 8.150 nan 0.000 0.443 12 I N -0.226 120.318 120.570 -0.043 0.000 2.226 12 I HA -0.241 3.926 4.170 -0.004 0.000 0.245 12 I C 1.909 177.999 176.117 -0.046 0.000 1.100 12 I CA 1.061 62.327 61.300 -0.057 0.000 1.374 12 I CB -0.317 37.627 38.000 -0.093 0.000 1.057 12 I HN 0.254 nan 8.210 nan 0.000 0.413 13 L N 0.553 121.754 121.223 -0.037 0.000 2.633 13 L HA -0.104 4.234 4.340 -0.004 0.000 0.235 13 L C 1.820 178.691 176.870 0.002 0.000 1.163 13 L CA 0.525 55.358 54.840 -0.013 0.000 0.859 13 L CB -0.456 41.614 42.059 0.018 0.000 0.973 13 L HN 0.273 nan 8.230 nan 0.000 0.451 14 E N -0.571 119.628 120.200 -0.001 0.000 2.479 14 E HA -0.014 4.334 4.350 -0.004 0.000 0.193 14 E C 0.337 176.936 176.600 -0.002 0.000 1.049 14 E CA -0.009 56.394 56.400 0.004 0.000 0.870 14 E CB -0.019 29.684 29.700 0.005 0.000 0.944 14 E HN 0.384 nan 8.360 nan 0.000 0.492 15 D N 2.503 122.897 120.400 -0.011 0.000 2.533 15 D HA -0.062 4.575 4.640 -0.004 0.000 0.236 15 D C -1.321 174.975 176.300 -0.008 0.000 1.137 15 D CA -1.005 52.986 54.000 -0.015 0.000 0.867 15 D CB 1.378 42.161 40.800 -0.027 0.000 1.170 15 D HN -0.044 nan 8.370 nan 0.000 0.474 16 P HA -0.108 nan 4.420 nan 0.000 0.228 16 P C 0.795 178.098 177.300 0.005 0.000 1.151 16 P CA 0.522 63.623 63.100 0.002 0.000 0.770 16 P CB 0.169 31.870 31.700 0.001 0.000 0.786 17 A N 0.132 122.949 122.820 -0.005 0.000 2.066 17 A HA -0.020 4.298 4.320 -0.004 0.000 0.218 17 A C 2.073 179.664 177.584 0.011 0.000 1.157 17 A CA 0.724 52.758 52.037 -0.005 0.000 0.670 17 A CB -1.142 17.838 19.000 -0.034 0.000 0.804 17 A HN 0.193 nan 8.150 nan 0.000 0.453 18 L N 0.157 121.385 121.223 0.007 0.000 2.653 18 L HA 0.108 4.445 4.340 -0.004 0.000 0.232 18 L C 0.456 177.353 176.870 0.045 0.000 1.169 18 L CA -0.354 54.503 54.840 0.028 0.000 0.951 18 L CB -0.350 41.715 42.059 0.010 0.000 1.181 18 L HN 0.298 nan 8.230 nan 0.000 0.460 19 E N 1.225 121.449 120.200 0.040 0.000 2.498 19 E HA 0.124 4.472 4.350 -0.004 0.000 0.252 19 E C 1.267 177.891 176.600 0.040 0.000 1.025 19 E CA 0.947 57.368 56.400 0.034 0.000 0.938 19 E CB 0.182 29.898 29.700 0.027 0.000 0.947 19 E HN 0.349 nan 8.360 nan 0.000 0.478 20 G N 2.660 111.479 108.800 0.031 0.000 2.155 20 G HA2 -0.244 3.713 3.960 -0.004 0.000 0.257 20 G HA3 -0.244 3.713 3.960 -0.004 0.000 0.257 20 G C 0.266 175.186 174.900 0.034 0.000 0.983 20 G CA 0.260 45.376 45.100 0.026 0.000 0.676 20 G HN 0.887 nan 8.290 nan 0.000 0.528 21 A N -0.872 121.981 122.820 0.054 0.000 2.306 21 A HA 0.857 5.174 4.320 -0.004 0.000 0.330 21 A C -0.007 177.613 177.584 0.060 0.000 1.146 21 A CA -0.235 51.848 52.037 0.076 0.000 0.827 21 A CB 1.966 21.053 19.000 0.144 0.000 1.178 21 A HN 1.073 nan 8.150 nan 0.000 0.490 22 V N 1.504 121.454 119.914 0.060 0.000 2.398 22 V HA 0.536 4.653 4.120 -0.004 0.000 0.286 22 V C -0.063 176.067 176.094 0.059 0.000 1.026 22 V CA -0.223 62.106 62.300 0.049 0.000 0.868 22 V CB 1.540 33.386 31.823 0.037 0.000 0.982 22 V HN 0.839 nan 8.190 nan 0.000 0.443 23 S N 3.062 118.796 115.700 0.056 0.000 2.659 23 S HA 0.587 5.054 4.470 -0.004 0.000 0.312 23 S C 0.265 174.906 174.600 0.067 0.000 1.114 23 S CA -0.562 57.673 58.200 0.058 0.000 1.063 23 S CB 1.659 64.888 63.200 0.049 0.000 0.996 23 S HN 1.019 nan 8.310 nan 0.000 0.478 24 G N 1.781 110.621 108.800 0.066 0.000 2.333 24 G HA2 0.529 4.487 3.960 -0.004 0.000 0.290 24 G HA3 0.529 4.487 3.960 -0.004 0.000 0.290 24 G C -0.777 174.180 174.900 0.095 0.000 1.150 24 G CA -0.325 44.820 45.100 0.075 0.000 0.895 24 G HN 0.586 nan 8.290 nan 0.000 0.444 25 V N 3.363 123.358 119.914 0.136 0.000 2.482 25 V HA 0.460 4.577 4.120 -0.004 0.000 0.295 25 V C -0.475 175.767 176.094 0.246 0.000 1.026 25 V CA -0.618 61.787 62.300 0.174 0.000 0.856 25 V CB 1.697 33.624 31.823 0.175 0.000 1.001 25 V HN 0.557 nan 8.190 nan 0.000 0.424 26 V N 5.357 125.391 119.914 0.199 0.000 2.638 26 V HA 0.653 4.770 4.120 -0.004 0.000 0.306 26 V C -0.688 175.524 176.094 0.196 0.000 1.052 26 V CA -0.620 61.795 62.300 0.192 0.000 0.885 26 V CB 2.379 34.274 31.823 0.120 0.000 0.999 26 V HN 0.570 nan 8.190 nan 0.000 0.424 27 V N 5.011 125.045 119.914 0.199 0.000 2.525 27 V HA 0.678 4.795 4.120 -0.004 0.000 0.299 27 V C -0.591 175.586 176.094 0.138 0.000 1.034 27 V CA -0.517 61.889 62.300 0.177 0.000 0.863 27 V CB 2.011 33.910 31.823 0.126 0.000 0.999 27 V HN 0.617 nan 8.190 nan 0.000 0.423 28 V N 2.355 122.352 119.914 0.138 0.000 2.876 28 V HA 0.520 4.637 4.120 -0.004 0.000 0.312 28 V C -0.837 175.339 176.094 0.137 0.000 1.085 28 V CA -0.690 61.681 62.300 0.118 0.000 0.945 28 V CB 2.492 34.374 31.823 0.099 0.000 1.017 28 V HN 0.879 nan 8.190 nan 0.000 0.428 29 D N 1.737 122.212 120.400 0.125 0.000 2.380 29 D HA 0.209 4.847 4.640 -0.004 0.000 0.230 29 D C 1.168 177.536 176.300 0.113 0.000 1.154 29 D CA 0.037 54.118 54.000 0.135 0.000 0.859 29 D CB 1.787 42.667 40.800 0.133 0.000 1.045 29 D HN 0.602 nan 8.370 nan 0.000 0.495 30 T N 2.577 117.208 114.554 0.127 0.000 2.737 30 T HA -0.164 4.183 4.350 -0.004 0.000 0.269 30 T C 1.723 176.464 174.700 0.069 0.000 1.040 30 T CA 1.644 63.807 62.100 0.107 0.000 1.142 30 T CB 0.077 69.023 68.868 0.130 0.000 0.861 30 T HN 0.563 nan 8.240 nan 0.000 0.456 31 A N 1.601 124.460 122.820 0.065 0.000 1.855 31 A HA -0.095 4.223 4.320 -0.004 0.000 0.215 31 A C 2.667 180.274 177.584 0.038 0.000 1.191 31 A CA 2.187 54.249 52.037 0.042 0.000 0.613 31 A CB -1.107 17.917 19.000 0.039 0.000 0.829 31 A HN 0.615 nan 8.150 nan 0.000 0.442 32 T N -4.949 109.634 114.554 0.048 0.000 2.976 32 T HA 0.386 4.734 4.350 -0.004 0.000 0.257 32 T C 1.554 176.279 174.700 0.042 0.000 1.051 32 T CA 1.410 63.535 62.100 0.043 0.000 1.141 32 T CB -0.018 68.880 68.868 0.049 0.000 0.881 32 T HN 1.772 nan 8.240 nan 0.000 0.461 33 G N 1.120 109.952 108.800 0.053 0.000 2.179 33 G HA2 -0.224 3.734 3.960 -0.004 0.000 0.220 33 G HA3 -0.224 3.734 3.960 -0.004 0.000 0.220 33 G C -0.155 174.776 174.900 0.052 0.000 0.990 33 G CA 0.140 45.270 45.100 0.050 0.000 0.646 33 G HN 0.853 nan 8.290 nan 0.000 0.517 34 E N 1.062 121.297 120.200 0.058 0.000 2.417 34 E HA 0.253 4.601 4.350 -0.004 0.000 0.261 34 E C 0.247 176.883 176.600 0.061 0.000 1.000 34 E CA -0.138 56.296 56.400 0.057 0.000 0.919 34 E CB 0.225 29.966 29.700 0.069 0.000 0.955 34 E HN 0.426 nan 8.360 nan 0.000 0.455 35 E N 5.416 125.644 120.200 0.046 0.000 2.003 35 E HA 0.021 4.369 4.350 -0.004 0.000 0.279 35 E C 0.714 177.337 176.600 0.040 0.000 1.132 35 E CA -0.218 56.208 56.400 0.044 0.000 0.888 35 E CB 0.394 30.109 29.700 0.024 0.000 1.056 35 E HN 0.670 nan 8.360 nan 0.000 0.399 36 L N 4.333 125.590 121.223 0.058 0.000 2.131 36 L HA 0.032 4.369 4.340 -0.004 0.000 0.206 36 L C 0.418 177.338 176.870 0.084 0.000 1.087 36 L CA 0.683 55.545 54.840 0.037 0.000 0.767 36 L CB -0.053 42.000 42.059 -0.010 0.000 0.917 36 L HN 0.559 nan 8.230 nan 0.000 0.441 37 Y N -1.017 119.262 120.300 -0.035 0.000 2.519 37 Y HA 0.464 5.012 4.550 -0.004 0.000 0.336 37 Y C -0.945 174.953 175.900 -0.003 0.000 1.089 37 Y CA -0.966 57.115 58.100 -0.031 0.000 1.025 37 Y CB 2.056 40.486 38.460 -0.051 0.000 1.318 37 Y HN -0.242 nan 8.280 nan 0.000 0.452 38 S N 5.516 121.024 115.700 -0.319 0.000 2.652 38 S HA 0.576 5.044 4.470 -0.004 0.000 0.273 38 S C -1.987 172.490 174.600 -0.204 0.000 1.172 38 S CA -0.667 57.465 58.200 -0.114 0.000 1.009 38 S CB 0.680 63.838 63.200 -0.070 0.000 1.094 38 S HN 0.828 nan 8.310 nan 0.000 0.471 39 R N 3.435 123.929 120.500 -0.009 0.000 2.515 39 R HA 0.377 4.715 4.340 -0.004 0.000 0.291 39 R C -0.963 175.369 176.300 0.053 0.000 1.046 39 R CA -0.290 55.816 56.100 0.010 0.000 0.914 39 R CB 0.699 31.065 30.300 0.110 0.000 1.191 39 R HN 0.695 nan 8.270 nan 0.000 0.435 40 D N 3.019 123.434 120.400 0.025 0.000 2.811 40 D HA -0.165 4.472 4.640 -0.004 0.000 0.231 40 D C 0.876 177.199 176.300 0.039 0.000 1.157 40 D CA 1.415 55.434 54.000 0.031 0.000 0.716 40 D CB -0.649 40.175 40.800 0.040 0.000 1.077 40 D HN 0.932 nan 8.370 nan 0.000 0.428 41 G N 0.183 109.005 108.800 0.037 0.000 2.470 41 G HA2 -0.046 3.912 3.960 -0.004 0.000 0.220 41 G HA3 -0.046 3.912 3.960 -0.004 0.000 0.220 41 G C 1.436 176.360 174.900 0.039 0.000 1.121 41 G CA 0.955 46.082 45.100 0.045 0.000 0.766 41 G HN 0.458 nan 8.290 nan 0.000 0.553 42 G N -0.604 108.213 108.800 0.028 0.000 3.233 42 G HA2 0.310 4.268 3.960 -0.004 0.000 0.234 42 G HA3 0.310 4.268 3.960 -0.004 0.000 0.234 42 G C 0.133 175.045 174.900 0.021 0.000 1.137 42 G CA -0.258 44.857 45.100 0.024 0.000 0.763 42 G HN 0.325 nan 8.290 nan 0.000 0.549 43 E N 1.169 121.384 120.200 0.024 0.000 2.290 43 E HA 0.229 4.576 4.350 -0.004 0.000 0.277 43 E C 0.289 176.901 176.600 0.020 0.000 1.035 43 E CA -0.135 56.277 56.400 0.021 0.000 0.873 43 E CB 0.363 30.078 29.700 0.025 0.000 1.029 43 E HN 0.259 nan 8.360 nan 0.000 0.419 44 Q N 3.590 123.397 119.800 0.012 0.000 2.293 44 Q HA 0.327 4.665 4.340 -0.004 0.000 0.263 44 Q C -0.562 175.443 176.000 0.009 0.000 1.002 44 Q CA 0.124 55.931 55.803 0.006 0.000 0.910 44 Q CB 0.615 29.351 28.738 -0.003 0.000 1.185 44 Q HN 0.472 nan 8.270 nan 0.000 0.401 45 L N 2.051 123.280 121.223 0.011 0.000 2.376 45 L HA 0.495 4.832 4.340 -0.004 0.000 0.258 45 L C -0.552 176.324 176.870 0.009 0.000 1.013 45 L CA -1.042 53.806 54.840 0.015 0.000 0.822 45 L CB 1.505 43.581 42.059 0.028 0.000 1.388 45 L HN 0.417 nan 8.230 nan 0.000 0.413 46 L N 3.094 124.321 121.223 0.006 0.000 2.453 46 L HA 0.172 4.510 4.340 -0.004 0.000 0.272 46 L C -1.444 175.432 176.870 0.010 0.000 1.182 46 L CA -0.971 53.869 54.840 -0.001 0.000 0.858 46 L CB 0.734 42.785 42.059 -0.013 0.000 1.120 46 L HN 0.456 nan 8.230 nan 0.000 0.474 47 P HA 0.063 nan 4.420 nan 0.000 0.259 47 P C 0.590 177.900 177.300 0.016 0.000 1.233 47 P CA 0.798 63.919 63.100 0.035 0.000 0.827 47 P CB 0.879 32.623 31.700 0.074 0.000 1.154 48 A N 0.796 123.611 122.820 -0.008 0.000 5.821 48 A HA -0.246 4.072 4.320 -0.004 0.000 0.282 48 A C 1.642 179.219 177.584 -0.012 0.000 2.032 48 A CA 1.343 53.357 52.037 -0.039 0.000 0.715 48 A CB -2.450 16.515 19.000 -0.059 0.000 1.178 48 A HN 0.156 nan 8.150 nan 0.000 0.370 49 S N 0.718 116.396 115.700 -0.036 0.000 2.584 49 S HA -0.097 4.371 4.470 -0.004 0.000 0.240 49 S C 1.322 175.918 174.600 -0.007 0.000 0.975 49 S CA 1.286 59.474 58.200 -0.019 0.000 0.949 49 S CB -0.742 62.425 63.200 -0.056 0.000 0.761 49 S HN 0.615 nan 8.310 nan 0.000 0.536 50 N N 1.271 119.976 118.700 0.009 0.000 2.520 50 N HA 0.027 4.765 4.740 -0.004 0.000 0.185 50 N C 1.394 176.996 175.510 0.152 0.000 1.068 50 N CA 0.367 53.433 53.050 0.025 0.000 0.911 50 N CB -0.284 38.222 38.487 0.032 0.000 0.961 50 N HN 0.300 nan 8.380 nan 0.000 0.446 51 M N 0.923 120.635 119.600 0.187 0.000 2.279 51 M HA -0.057 4.420 4.480 -0.004 0.000 0.264 51 M C 1.250 177.748 176.300 0.330 0.000 1.062 51 M CA 1.496 56.981 55.300 0.309 0.000 1.099 51 M CB -0.043 32.666 32.600 0.182 0.000 1.394 51 M HN -0.086 nan 8.290 nan 0.000 0.426 52 K N -0.328 120.182 120.400 0.183 0.000 2.280 52 K HA -0.110 4.208 4.320 -0.004 0.000 0.202 52 K C 1.824 178.485 176.600 0.102 0.000 1.047 52 K CA 1.147 57.521 56.287 0.146 0.000 0.942 52 K CB -0.411 32.045 32.500 -0.072 0.000 0.739 52 K HN 0.415 nan 8.250 nan 0.000 0.457 53 L N -0.305 120.945 121.223 0.046 0.000 2.017 53 L HA -0.183 4.155 4.340 -0.004 0.000 0.208 53 L C 2.097 179.050 176.870 0.139 0.000 1.073 53 L CA 1.425 56.285 54.840 0.033 0.000 0.745 53 L CB -0.433 41.530 42.059 -0.160 0.000 0.894 53 L HN 0.092 nan 8.230 nan 0.000 0.432 54 F N -0.374 119.701 119.950 0.208 0.000 2.146 54 F HA -0.189 4.336 4.527 -0.002 0.000 0.298 54 F C 2.670 178.572 175.800 0.170 0.000 1.096 54 F CA 1.544 59.643 58.000 0.165 0.000 1.275 54 F CB -1.136 37.932 39.000 0.113 0.000 1.008 54 F HN -0.026 nan 8.300 nan 0.000 0.480 55 T N -0.041 114.742 114.554 0.381 0.000 2.746 55 T HA -0.185 4.163 4.350 -0.004 0.000 0.267 55 T C 2.299 177.181 174.700 0.304 0.000 1.039 55 T CA 1.335 63.628 62.100 0.321 0.000 1.142 55 T CB -0.674 68.418 68.868 0.373 0.000 0.866 55 T HN 0.300 nan 8.240 nan 0.000 0.444 56 A N 1.516 124.557 122.820 0.368 0.000 1.877 56 A HA 0.171 4.488 4.320 -0.004 0.000 0.216 56 A C 2.669 180.353 177.584 0.167 0.000 1.186 56 A CA 1.836 54.092 52.037 0.364 0.000 0.620 56 A CB -1.179 18.027 19.000 0.344 0.000 0.822 56 A HN 0.501 nan 8.150 nan 0.000 0.443 57 A N -0.092 122.822 122.820 0.157 0.000 1.883 57 A HA 0.115 4.433 4.320 -0.004 0.000 0.217 57 A C 2.516 179.995 177.584 -0.176 0.000 1.186 57 A CA 2.283 54.166 52.037 -0.257 0.000 0.624 57 A CB -1.062 17.796 19.000 -0.237 0.000 0.822 57 A HN 1.092 nan 8.150 nan 0.000 0.444 58 A N -0.264 122.563 122.820 0.013 0.000 1.933 58 A HA 0.179 4.497 4.320 -0.004 0.000 0.218 58 A C 2.502 180.077 177.584 -0.014 0.000 1.175 58 A CA 2.044 54.103 52.037 0.037 0.000 0.628 58 A CB -0.996 18.062 19.000 0.097 0.000 0.814 58 A HN 1.071 nan 8.150 nan 0.000 0.444 59 A N -0.207 122.607 122.820 -0.009 0.000 1.902 59 A HA -0.065 4.253 4.320 -0.004 0.000 0.217 59 A C 2.159 179.672 177.584 -0.118 0.000 1.181 59 A CA 1.544 53.566 52.037 -0.024 0.000 0.623 59 A CB -0.602 18.429 19.000 0.051 0.000 0.818 59 A HN 0.474 nan 8.150 nan 0.000 0.443 60 L N -0.837 120.214 121.223 -0.286 0.000 2.141 60 L HA -0.137 4.201 4.340 -0.004 0.000 0.209 60 L C 2.658 179.337 176.870 -0.319 0.000 1.094 60 L CA 1.066 55.604 54.840 -0.503 0.000 0.763 60 L CB -0.428 40.852 42.059 -1.298 0.000 0.908 60 L HN 0.358 nan 8.230 nan 0.000 0.437 61 E N -0.238 119.865 120.200 -0.161 0.000 2.072 61 E HA -0.125 4.222 4.350 -0.004 0.000 0.190 61 E C 2.295 178.929 176.600 0.056 0.000 0.982 61 E CA 1.128 57.595 56.400 0.112 0.000 0.803 61 E CB -0.015 29.782 29.700 0.162 0.000 0.755 61 E HN 0.294 nan 8.360 nan 0.000 0.453 62 V N 1.054 120.968 119.914 0.000 0.000 2.331 62 V HA -0.130 3.988 4.120 -0.004 0.000 0.242 62 V C 2.433 178.495 176.094 -0.054 0.000 1.034 62 V CA 1.080 63.372 62.300 -0.013 0.000 1.027 62 V CB -0.348 31.464 31.823 -0.019 0.000 0.667 62 V HN 0.140 nan 8.190 nan 0.000 0.457 63 L N -0.139 121.014 121.223 -0.117 0.000 2.202 63 L HA 0.437 4.775 4.340 -0.004 0.000 0.205 63 L C 1.147 177.964 176.870 -0.089 0.000 1.083 63 L CA 0.904 55.593 54.840 -0.250 0.000 0.790 63 L CB -0.582 41.201 42.059 -0.461 0.000 0.942 63 L HN 0.553 nan 8.230 nan 0.000 0.452 64 G N -0.884 107.893 108.800 -0.038 0.000 2.719 64 G HA2 -0.071 3.887 3.960 -0.004 0.000 0.686 64 G HA3 -0.071 3.887 3.960 -0.004 0.000 0.686 64 G C 0.480 175.406 174.900 0.042 0.000 1.201 64 G CA -0.349 44.769 45.100 0.030 0.000 0.768 64 G HN 0.195 nan 8.290 nan 0.000 0.629 65 A N 0.605 123.462 122.820 0.061 0.000 2.019 65 A HA 0.081 4.399 4.320 -0.004 0.000 0.219 65 A C 1.962 179.592 177.584 0.077 0.000 1.164 65 A CA 2.480 54.564 52.037 0.077 0.000 0.644 65 A CB -0.375 18.701 19.000 0.127 0.000 0.805 65 A HN 1.491 nan 8.150 nan 0.000 0.449 66 D N -2.167 118.273 120.400 0.067 0.000 2.340 66 D HA 0.056 4.693 4.640 -0.004 0.000 0.220 66 D C 0.693 176.988 176.300 -0.009 0.000 1.039 66 D CA -0.047 53.972 54.000 0.031 0.000 0.866 66 D CB -0.708 40.107 40.800 0.024 0.000 0.913 66 D HN 0.599 nan 8.370 nan 0.000 0.523 67 H N 0.757 119.766 119.070 -0.102 0.000 2.897 67 H HA 0.307 4.861 4.556 -0.004 0.000 0.347 67 H C -0.069 175.070 175.328 -0.315 0.000 1.068 67 H CA 0.230 56.145 56.048 -0.222 0.000 1.426 67 H CB 0.587 30.191 29.762 -0.263 0.000 1.410 67 H HN 0.112 nan 8.280 nan 0.000 0.597 68 S N 3.679 118.865 115.700 -0.857 0.000 2.599 68 S HA 0.585 5.052 4.470 -0.004 0.000 0.287 68 S C -1.243 172.812 174.600 -0.909 0.000 1.105 68 S CA -0.981 56.851 58.200 -0.613 0.000 0.899 68 S CB 1.356 64.352 63.200 -0.341 0.000 1.100 68 S HN 0.394 nan 8.310 nan 0.000 0.482 69 F N 0.301 120.103 119.950 -0.247 0.000 2.492 69 F HA 0.791 5.316 4.527 -0.004 0.000 0.327 69 F C 0.958 176.601 175.800 -0.262 0.000 1.079 69 F CA -0.348 57.521 58.000 -0.218 0.000 0.967 69 F CB 2.089 41.012 39.000 -0.129 0.000 1.169 69 F HN 0.985 nan 8.300 nan 0.000 0.472 70 G N 0.170 108.895 108.800 -0.125 0.000 2.498 70 G HA2 0.666 4.623 3.960 -0.004 0.000 0.312 70 G HA3 0.666 4.623 3.960 -0.004 0.000 0.312 70 G C -1.508 173.286 174.900 -0.176 0.000 1.230 70 G CA -0.724 44.268 45.100 -0.180 0.000 0.968 70 G HN 0.531 nan 8.290 nan 0.000 0.481 71 T N 0.810 115.291 114.554 -0.123 0.000 2.912 71 T HA 0.601 4.949 4.350 -0.004 0.000 0.299 71 T C -0.831 173.807 174.700 -0.103 0.000 1.052 71 T CA -0.541 61.488 62.100 -0.118 0.000 0.996 71 T CB 2.200 71.032 68.868 -0.060 0.000 1.070 71 T HN 0.583 nan 8.240 nan 0.000 0.465 72 E N 0.855 120.980 120.200 -0.125 0.000 2.416 72 E HA 0.717 5.065 4.350 -0.004 0.000 0.273 72 E C -1.385 175.162 176.600 -0.087 0.000 0.935 72 E CA -1.066 55.281 56.400 -0.088 0.000 0.784 72 E CB 2.580 32.234 29.700 -0.078 0.000 1.301 72 E HN 0.237 nan 8.360 nan 0.000 0.454 73 V N 0.785 120.680 119.914 -0.032 0.000 2.588 73 V HA 0.828 4.946 4.120 -0.004 0.000 0.304 73 V C -0.757 175.393 176.094 0.094 0.000 1.042 73 V CA -0.497 61.814 62.300 0.020 0.000 0.877 73 V CB 1.383 33.244 31.823 0.062 0.000 0.996 73 V HN 0.815 nan 8.190 nan 0.000 0.425 74 A N 3.405 126.325 122.820 0.166 0.000 2.606 74 A HA 1.029 5.346 4.320 -0.004 0.000 0.293 74 A C -0.713 177.070 177.584 0.333 0.000 1.082 74 A CA -0.042 52.114 52.037 0.198 0.000 0.685 74 A CB 1.943 21.035 19.000 0.154 0.000 1.284 74 A HN 1.561 nan 8.150 nan 0.000 0.408 75 A N -0.296 122.693 122.820 0.280 0.000 2.437 75 A HA 0.747 5.064 4.320 -0.004 0.000 0.292 75 A C 0.650 178.262 177.584 0.048 0.000 1.173 75 A CA 0.254 52.471 52.037 0.299 0.000 0.785 75 A CB 0.907 19.996 19.000 0.148 0.000 1.351 75 A HN 1.006 nan 8.150 nan 0.000 0.431 76 E N -0.312 119.562 120.200 -0.543 0.000 2.153 76 E HA -0.073 4.274 4.350 -0.004 0.000 0.194 76 E C 0.521 176.866 176.600 -0.425 0.000 0.988 76 E CA 1.439 57.197 56.400 -1.069 0.000 0.811 76 E CB 0.035 28.813 29.700 -1.537 0.000 0.746 76 E HN 0.750 nan 8.360 nan 0.000 0.466 77 S N -1.917 113.638 115.700 -0.241 0.000 2.643 77 S HA 0.661 5.128 4.470 -0.004 0.000 0.270 77 S C -0.610 173.952 174.600 -0.063 0.000 1.166 77 S CA -0.727 57.394 58.200 -0.131 0.000 0.815 77 S CB 1.138 64.254 63.200 -0.140 0.000 1.139 77 S HN 0.194 nan 8.310 nan 0.000 0.472 78 A N 1.888 124.685 122.820 -0.039 0.000 2.466 78 A HA 0.612 4.929 4.320 -0.004 0.000 0.238 78 A C -2.035 175.540 177.584 -0.016 0.000 1.074 78 A CA -0.933 51.095 52.037 -0.015 0.000 0.774 78 A CB -1.020 17.974 19.000 -0.012 0.000 1.015 78 A HN 0.735 nan 8.150 nan 0.000 0.498 79 P HA 0.159 nan 4.420 nan 0.000 0.267 79 P C 0.524 177.820 177.300 -0.008 0.000 1.200 79 P CA 0.434 63.533 63.100 -0.001 0.000 0.772 79 P CB 0.541 32.245 31.700 0.008 0.000 0.855 80 G N 1.618 110.413 108.800 -0.009 0.000 2.504 80 G HA2 0.076 4.034 3.960 -0.004 0.000 0.257 80 G HA3 0.076 4.034 3.960 -0.004 0.000 0.257 80 G C 1.099 175.995 174.900 -0.008 0.000 1.451 80 G CA -0.381 44.712 45.100 -0.011 0.000 1.059 80 G HN 0.537 nan 8.290 nan 0.000 0.550 81 R N -0.566 119.929 120.500 -0.008 0.000 2.097 81 R HA -0.086 4.251 4.340 -0.004 0.000 0.236 81 R C 2.018 178.315 176.300 -0.005 0.000 1.135 81 R CA 1.311 57.408 56.100 -0.006 0.000 0.934 81 R CB -0.146 30.151 30.300 -0.006 0.000 0.846 81 R HN 0.263 nan 8.270 nan 0.000 0.431 82 R N -0.041 120.456 120.500 -0.004 0.000 2.346 82 R HA 0.082 4.419 4.340 -0.004 0.000 0.225 82 R C 0.732 177.030 176.300 -0.003 0.000 0.987 82 R CA 0.706 56.804 56.100 -0.004 0.000 1.106 82 R CB -0.319 29.979 30.300 -0.003 0.000 1.090 82 R HN 0.627 nan 8.270 nan 0.000 0.502 83 G N 1.612 110.410 108.800 -0.003 0.000 2.249 83 G HA2 -0.307 3.650 3.960 -0.004 0.000 0.273 83 G HA3 -0.307 3.650 3.960 -0.004 0.000 0.273 83 G C -0.225 174.676 174.900 0.002 0.000 1.036 83 G CA 0.374 45.474 45.100 -0.001 0.000 0.824 83 G HN 0.438 nan 8.290 nan 0.000 0.504 84 E N -1.141 119.060 120.200 0.002 0.000 2.227 84 E HA 0.704 5.051 4.350 -0.004 0.000 0.268 84 E C 0.281 176.888 176.600 0.010 0.000 0.990 84 E CA -0.463 55.941 56.400 0.006 0.000 0.856 84 E CB 2.497 32.201 29.700 0.005 0.000 1.159 84 E HN 0.767 nan 8.360 nan 0.000 0.401 85 V N -1.397 118.530 119.914 0.022 0.000 3.147 85 V HA 0.310 4.428 4.120 -0.004 0.000 0.306 85 V C 0.001 176.126 176.094 0.053 0.000 1.209 85 V CA -0.913 61.407 62.300 0.033 0.000 1.023 85 V CB 1.945 33.800 31.823 0.053 0.000 1.059 85 V HN 0.541 nan 8.190 nan 0.000 0.435 86 Q N 0.766 120.609 119.800 0.071 0.000 1.596 86 Q HA 0.254 4.592 4.340 -0.004 0.000 0.516 86 Q C -0.163 175.933 176.000 0.160 0.000 0.916 86 Q CA 0.857 56.723 55.803 0.105 0.000 0.888 86 Q CB -0.106 28.703 28.738 0.118 0.000 1.242 86 Q HN 0.935 nan 8.270 nan 0.000 0.383 87 D N 0.502 121.066 120.400 0.274 0.000 2.313 87 D HA 0.347 4.985 4.640 -0.004 0.000 0.247 87 D C -0.408 176.123 176.300 0.385 0.000 1.094 87 D CA 0.035 54.237 54.000 0.337 0.000 0.925 87 D CB 0.838 41.958 40.800 0.534 0.000 1.188 87 D HN 0.082 nan 8.370 nan 0.000 0.430 88 L N 1.646 123.009 121.223 0.234 0.000 2.381 88 L HA 0.429 4.766 4.340 -0.004 0.000 0.268 88 L C -1.475 175.481 176.870 0.144 0.000 0.997 88 L CA -0.865 54.139 54.840 0.274 0.000 0.818 88 L CB 1.414 43.590 42.059 0.194 0.000 1.310 88 L HN 0.350 nan 8.230 nan 0.000 0.416 89 Y N 3.312 123.738 120.300 0.209 0.000 2.391 89 Y HA 0.432 4.980 4.550 -0.004 0.000 0.341 89 Y C -0.480 175.438 175.900 0.029 0.000 0.965 89 Y CA -0.704 57.473 58.100 0.129 0.000 1.067 89 Y CB 2.125 40.618 38.460 0.055 0.000 1.199 89 Y HN 0.307 nan 8.280 nan 0.000 0.450 90 L N 4.787 126.053 121.223 0.072 0.000 2.276 90 L HA 0.714 5.051 4.340 -0.004 0.000 0.286 90 L C -1.355 175.475 176.870 -0.066 0.000 1.024 90 L CA -0.629 54.120 54.840 -0.152 0.000 0.826 90 L CB 0.749 42.596 42.059 -0.353 0.000 1.211 90 L HN 0.400 nan 8.230 nan 0.000 0.422 91 V N 5.073 124.937 119.914 -0.083 0.000 2.357 91 V HA 0.710 4.828 4.120 -0.004 0.000 0.284 91 V C 0.719 176.724 176.094 -0.148 0.000 1.018 91 V CA -0.388 61.864 62.300 -0.080 0.000 0.841 91 V CB 1.065 32.846 31.823 -0.069 0.000 0.991 91 V HN 0.886 nan 8.190 nan 0.000 0.437 92 G N 3.638 112.347 108.800 -0.151 0.000 2.356 92 G HA2 0.583 4.540 3.960 -0.004 0.000 0.322 92 G HA3 0.583 4.540 3.960 -0.004 0.000 0.322 92 G C -0.035 174.680 174.900 -0.309 0.000 1.125 92 G CA -0.684 44.294 45.100 -0.203 0.000 0.885 92 G HN 0.660 nan 8.290 nan 0.000 0.467 93 R N 1.475 121.715 120.500 -0.432 0.000 2.989 93 R HA 0.337 4.674 4.340 -0.004 0.000 0.340 93 R C 0.996 177.009 176.300 -0.478 0.000 1.205 93 R CA 0.194 55.793 56.100 -0.835 0.000 1.235 93 R CB 0.845 30.426 30.300 -1.199 0.000 1.394 93 R HN 0.997 nan 8.270 nan 0.000 0.598 94 G N 0.970 109.536 108.800 -0.390 0.000 2.132 94 G HA2 -0.253 3.705 3.960 -0.004 0.000 0.234 94 G HA3 -0.253 3.705 3.960 -0.004 0.000 0.234 94 G C -0.260 174.438 174.900 -0.337 0.000 0.989 94 G CA 0.012 44.940 45.100 -0.288 0.000 0.676 94 G HN 0.458 nan 8.290 nan 0.000 0.522 95 D N 0.952 121.204 120.400 -0.248 0.000 2.358 95 D HA 0.324 4.962 4.640 -0.004 0.000 0.258 95 D C -0.467 175.634 176.300 -0.332 0.000 1.223 95 D CA -1.495 52.332 54.000 -0.288 0.000 0.886 95 D CB 1.232 41.978 40.800 -0.090 0.000 1.120 95 D HN 0.230 nan 8.370 nan 0.000 0.482 96 P HA 0.049 nan 4.420 nan 0.000 0.257 96 P C 0.210 177.320 177.300 -0.316 0.000 1.281 96 P CA 0.280 63.136 63.100 -0.406 0.000 0.826 96 P CB 0.143 31.404 31.700 -0.731 0.000 1.237 97 T N -3.802 110.542 114.554 -0.349 0.000 3.393 97 T HA 0.228 4.575 4.350 -0.004 0.000 0.298 97 T C 0.173 174.790 174.700 -0.138 0.000 1.004 97 T CA -0.394 61.416 62.100 -0.483 0.000 0.956 97 T CB -0.561 67.629 68.868 -1.129 0.000 1.182 97 T HN -0.048 nan 8.240 nan 0.000 0.497 98 L N 3.958 125.168 121.223 -0.021 0.000 2.407 98 L HA 0.408 4.746 4.340 -0.004 0.000 0.282 98 L C 0.545 177.456 176.870 0.068 0.000 1.110 98 L CA -0.178 54.677 54.840 0.024 0.000 0.863 98 L CB 0.469 42.524 42.059 -0.005 0.000 1.207 98 L HN 0.599 nan 8.230 nan 0.000 0.454 99 S N 3.223 118.964 115.700 0.068 0.000 2.713 99 S HA 0.459 4.926 4.470 -0.004 0.000 0.283 99 S C 1.054 175.669 174.600 0.026 0.000 1.161 99 S CA -0.174 58.079 58.200 0.089 0.000 0.999 99 S CB 1.812 65.088 63.200 0.126 0.000 1.039 99 S HN 0.663 nan 8.310 nan 0.000 0.548 100 A N 0.146 122.990 122.820 0.039 0.000 1.972 100 A HA -0.057 4.261 4.320 -0.004 0.000 0.219 100 A C 2.058 179.649 177.584 0.011 0.000 1.169 100 A CA 1.564 53.619 52.037 0.031 0.000 0.635 100 A CB -1.035 17.989 19.000 0.040 0.000 0.810 100 A HN 0.981 nan 8.150 nan 0.000 0.446 101 E N -0.253 119.947 120.200 -0.001 0.000 2.150 101 E HA -0.202 4.146 4.350 -0.004 0.000 0.193 101 E C 1.026 177.598 176.600 -0.048 0.000 0.985 101 E CA 1.106 57.497 56.400 -0.014 0.000 0.814 101 E CB -0.077 29.619 29.700 -0.007 0.000 0.752 101 E HN 0.518 nan 8.360 nan 0.000 0.466 102 D N 0.571 120.908 120.400 -0.105 0.000 2.144 102 D HA -0.141 4.496 4.640 -0.004 0.000 0.199 102 D C 2.082 178.296 176.300 -0.144 0.000 0.984 102 D CA 0.713 54.551 54.000 -0.271 0.000 0.834 102 D CB -0.123 40.380 40.800 -0.494 0.000 0.955 102 D HN 0.266 nan 8.370 nan 0.000 0.465 103 L N 0.385 121.587 121.223 -0.035 0.000 2.093 103 L HA -0.170 4.167 4.340 -0.004 0.000 0.208 103 L C 2.146 179.119 176.870 0.172 0.000 1.085 103 L CA 1.187 56.095 54.840 0.114 0.000 0.755 103 L CB -0.352 41.806 42.059 0.166 0.000 0.904 103 L HN -0.020 nan 8.230 nan 0.000 0.435 104 D N 0.098 120.536 120.400 0.062 0.000 2.117 104 D HA -0.165 4.473 4.640 -0.004 0.000 0.198 104 D C 2.181 178.499 176.300 0.031 0.000 0.982 104 D CA 1.224 55.240 54.000 0.026 0.000 0.828 104 D CB 0.179 40.977 40.800 -0.003 0.000 0.967 104 D HN 0.236 nan 8.370 nan 0.000 0.464 105 A N -0.016 122.816 122.820 0.021 0.000 1.933 105 A HA -0.142 4.176 4.320 -0.004 0.000 0.218 105 A C 2.284 179.904 177.584 0.060 0.000 1.175 105 A CA 1.316 53.367 52.037 0.023 0.000 0.628 105 A CB -0.570 18.429 19.000 -0.001 0.000 0.814 105 A HN 0.328 nan 8.150 nan 0.000 0.444 106 M N -0.949 118.714 119.600 0.104 0.000 2.200 106 M HA -0.059 4.418 4.480 -0.004 0.000 0.265 106 M C 2.518 178.967 176.300 0.248 0.000 1.066 106 M CA 1.120 56.525 55.300 0.175 0.000 1.127 106 M CB -0.337 32.368 32.600 0.174 0.000 1.379 106 M HN 0.488 nan 8.290 nan 0.000 0.420 107 A N 0.534 123.490 122.820 0.227 0.000 1.933 107 A HA -0.048 4.270 4.320 -0.004 0.000 0.218 107 A C 2.342 179.922 177.584 -0.007 0.000 1.175 107 A CA 1.841 53.874 52.037 -0.007 0.000 0.628 107 A CB -0.799 18.073 19.000 -0.214 0.000 0.814 107 A HN 0.483 nan 8.150 nan 0.000 0.444 108 A N -0.093 122.735 122.820 0.014 0.000 1.933 108 A HA -0.169 4.149 4.320 -0.004 0.000 0.218 108 A C 1.911 179.508 177.584 0.023 0.000 1.175 108 A CA 1.596 53.637 52.037 0.006 0.000 0.628 108 A CB -0.497 18.508 19.000 0.008 0.000 0.814 108 A HN 0.645 nan 8.150 nan 0.000 0.444 109 E N -0.279 119.951 120.200 0.049 0.000 2.106 109 E HA -0.115 4.233 4.350 -0.004 0.000 0.192 109 E C 1.954 178.587 176.600 0.055 0.000 0.984 109 E CA 1.218 57.649 56.400 0.052 0.000 0.806 109 E CB -0.297 29.442 29.700 0.065 0.000 0.750 109 E HN 0.410 nan 8.360 nan 0.000 0.458 110 V N 1.510 121.470 119.914 0.076 0.000 2.392 110 V HA -0.293 3.824 4.120 -0.004 0.000 0.249 110 V C 2.306 178.419 176.094 0.031 0.000 1.059 110 V CA 1.927 64.271 62.300 0.074 0.000 1.051 110 V CB -0.697 31.183 31.823 0.095 0.000 0.658 110 V HN 0.314 nan 8.190 nan 0.000 0.455 111 A N -0.014 122.812 122.820 0.010 0.000 1.872 111 A HA 0.038 4.355 4.320 -0.004 0.000 0.214 111 A C 2.354 179.941 177.584 0.004 0.000 1.187 111 A CA 1.582 53.616 52.037 -0.004 0.000 0.614 111 A CB -0.764 18.225 19.000 -0.019 0.000 0.826 111 A HN 0.564 nan 8.150 nan 0.000 0.442 112 A N 0.242 123.067 122.820 0.009 0.000 2.172 112 A HA 0.002 4.320 4.320 -0.004 0.000 0.216 112 A C 2.306 179.897 177.584 0.013 0.000 1.154 112 A CA 1.903 53.946 52.037 0.010 0.000 0.701 112 A CB -0.732 18.275 19.000 0.012 0.000 0.789 112 A HN 0.937 nan 8.150 nan 0.000 0.465 113 S N -2.029 113.682 115.700 0.019 0.000 2.470 113 S HA 0.350 4.818 4.470 -0.004 0.000 0.225 113 S C 1.392 176.000 174.600 0.014 0.000 1.006 113 S CA 1.288 59.500 58.200 0.021 0.000 0.934 113 S CB -0.069 63.151 63.200 0.033 0.000 0.778 113 S HN 1.766 nan 8.310 nan 0.000 0.517 114 G N -0.067 108.739 108.800 0.011 0.000 2.205 114 G HA2 -0.141 3.816 3.960 -0.004 0.000 0.180 114 G HA3 -0.141 3.816 3.960 -0.004 0.000 0.180 114 G C -0.108 174.795 174.900 0.006 0.000 1.004 114 G CA -0.185 44.918 45.100 0.006 0.000 0.670 114 G HN 0.584 nan 8.290 nan 0.000 0.496 115 V N 1.010 120.930 119.914 0.010 0.000 2.583 115 V HA 0.612 4.730 4.120 -0.004 0.000 0.287 115 V C 1.369 177.461 176.094 -0.003 0.000 1.051 115 V CA 0.838 63.144 62.300 0.010 0.000 1.010 115 V CB 1.561 33.397 31.823 0.022 0.000 0.988 115 V HN 0.437 nan 8.190 nan 0.000 0.478 116 R N 1.930 122.427 120.500 -0.005 0.000 2.561 116 R HA 0.204 4.542 4.340 -0.004 0.000 0.213 116 R C -0.214 176.076 176.300 -0.016 0.000 0.885 116 R CA 0.287 56.379 56.100 -0.013 0.000 1.002 116 R CB 1.118 31.412 30.300 -0.010 0.000 1.432 116 R HN 0.728 nan 8.270 nan 0.000 0.651 117 T N 0.982 115.531 114.554 -0.008 0.000 3.011 117 T HA 0.306 4.654 4.350 -0.004 0.000 0.303 117 T C -1.165 173.537 174.700 0.003 0.000 0.997 117 T CA -0.431 61.664 62.100 -0.008 0.000 1.007 117 T CB 2.353 71.218 68.868 -0.006 0.000 1.017 117 T HN -0.151 nan 8.240 nan 0.000 0.443 118 V N 4.481 124.395 119.914 0.001 0.000 2.299 118 V HA 0.215 4.332 4.120 -0.004 0.000 0.255 118 V C 1.526 177.628 176.094 0.014 0.000 1.100 118 V CA -0.378 61.933 62.300 0.018 0.000 0.938 118 V CB 0.413 32.243 31.823 0.012 0.000 1.139 118 V HN 0.640 nan 8.190 nan 0.000 0.490 119 R N 3.112 123.626 120.500 0.023 0.000 2.189 119 R HA 0.036 4.373 4.340 -0.004 0.000 0.223 119 R C 1.422 177.740 176.300 0.029 0.000 1.092 119 R CA 1.055 57.168 56.100 0.021 0.000 0.989 119 R CB -0.306 30.008 30.300 0.024 0.000 0.876 119 R HN 0.764 nan 8.270 nan 0.000 0.457 120 G N -1.170 107.659 108.800 0.048 0.000 2.714 120 G HA2 0.139 4.097 3.960 -0.004 0.000 0.197 120 G HA3 0.139 4.097 3.960 -0.004 0.000 0.197 120 G C -0.765 174.140 174.900 0.007 0.000 1.449 120 G CA -0.468 44.670 45.100 0.062 0.000 1.065 120 G HN 0.114 nan 8.290 nan 0.000 0.575 121 D N -0.738 119.651 120.400 -0.020 0.000 2.268 121 D HA 0.457 5.095 4.640 -0.004 0.000 0.249 121 D C -0.664 175.448 176.300 -0.312 0.000 1.008 121 D CA -0.385 53.484 54.000 -0.218 0.000 0.939 121 D CB 2.297 42.858 40.800 -0.397 0.000 1.170 121 D HN 0.184 nan 8.370 nan 0.000 0.468 122 L N 1.655 122.646 121.223 -0.387 0.000 2.282 122 L HA 0.374 4.712 4.340 -0.004 0.000 0.288 122 L C -1.633 174.944 176.870 -0.488 0.000 1.033 122 L CA -0.361 54.308 54.840 -0.284 0.000 0.807 122 L CB 0.357 42.355 42.059 -0.103 0.000 1.209 122 L HN 0.242 nan 8.230 nan 0.000 0.423 123 Y N 3.645 123.742 120.300 -0.338 0.000 2.393 123 Y HA 0.716 5.264 4.550 -0.004 0.000 0.341 123 Y C 0.252 176.052 175.900 -0.166 0.000 0.988 123 Y CA -0.834 57.056 58.100 -0.351 0.000 1.078 123 Y CB 2.054 40.047 38.460 -0.778 0.000 1.203 123 Y HN 0.726 nan 8.280 nan 0.000 0.453 124 A N 2.545 125.424 122.820 0.097 0.000 2.260 124 A HA 0.319 4.637 4.320 -0.004 0.000 0.312 124 A C -0.958 176.688 177.584 0.104 0.000 1.321 124 A CA -0.505 51.572 52.037 0.066 0.000 0.928 124 A CB 0.037 19.059 19.000 0.037 0.000 1.158 124 A HN 0.650 nan 8.150 nan 0.000 0.542 125 D N 2.749 123.211 120.400 0.104 0.000 2.412 125 D HA 0.279 4.917 4.640 -0.004 0.000 0.224 125 D C -0.481 175.839 176.300 0.033 0.000 1.093 125 D CA -0.245 53.814 54.000 0.097 0.000 0.850 125 D CB 1.115 41.990 40.800 0.125 0.000 1.046 125 D HN 0.533 nan 8.370 nan 0.000 0.507 126 D N 1.246 121.669 120.400 0.038 0.000 2.623 126 D HA -0.047 4.591 4.640 -0.004 0.000 0.252 126 D C 1.109 177.446 176.300 0.061 0.000 1.294 126 D CA -0.201 53.811 54.000 0.020 0.000 0.824 126 D CB -0.292 40.516 40.800 0.014 0.000 1.070 126 D HN 0.273 nan 8.370 nan 0.000 0.487 127 T N -4.072 110.526 114.554 0.074 0.000 3.098 127 T HA -0.153 4.195 4.350 -0.004 0.000 0.266 127 T C 1.418 176.197 174.700 0.131 0.000 1.145 127 T CA 0.020 62.167 62.100 0.079 0.000 1.092 127 T CB -0.884 68.010 68.868 0.044 0.000 0.908 127 T HN 0.435 nan 8.240 nan 0.000 0.526 128 W N 0.869 122.127 121.300 -0.069 0.000 2.350 128 W HA 0.073 4.731 4.660 -0.003 0.000 0.289 128 W C -0.628 175.972 176.519 0.135 0.000 1.215 128 W CA 0.245 57.553 57.345 -0.062 0.000 1.236 128 W CB 0.064 29.387 29.460 -0.228 0.000 1.130 128 W HN 0.140 nan 8.180 nan 0.000 0.541 129 F N 1.258 121.194 119.950 -0.023 0.000 2.575 129 F HA 0.195 4.720 4.527 -0.003 0.000 0.330 129 F C 0.622 176.342 175.800 -0.133 0.000 1.056 129 F CA -2.083 55.818 58.000 -0.164 0.000 0.964 129 F CB 0.034 38.954 39.000 -0.134 0.000 1.258 129 F HN -0.229 nan 8.300 nan 0.000 0.484 130 D N -1.184 119.221 120.400 0.007 0.000 2.414 130 D HA 0.159 4.797 4.640 -0.004 0.000 0.259 130 D C 0.514 176.814 176.300 -0.000 0.000 1.269 130 D CA -0.289 53.697 54.000 -0.024 0.000 1.028 130 D CB 0.052 40.809 40.800 -0.072 0.000 1.093 130 D HN 0.306 nan 8.370 nan 0.000 0.545 131 S N -2.694 113.010 115.700 0.007 0.000 2.622 131 S HA 0.046 4.513 4.470 -0.004 0.000 0.236 131 S C 0.360 174.981 174.600 0.036 0.000 0.956 131 S CA -0.637 57.580 58.200 0.029 0.000 0.971 131 S CB -0.734 62.489 63.200 0.038 0.000 0.782 131 S HN 0.558 nan 8.310 nan 0.000 0.468 132 E N 1.744 121.954 120.200 0.018 0.000 2.003 132 E HA 0.172 4.520 4.350 -0.004 0.000 0.279 132 E C 0.831 177.514 176.600 0.137 0.000 1.132 132 E CA -0.591 55.870 56.400 0.102 0.000 0.888 132 E CB 0.343 30.148 29.700 0.175 0.000 1.056 132 E HN 0.147 nan 8.360 nan 0.000 0.399 133 R N 3.109 123.702 120.500 0.155 0.000 2.153 133 R HA 0.161 4.499 4.340 -0.004 0.000 0.218 133 R C 0.309 176.773 176.300 0.274 0.000 1.072 133 R CA 0.668 56.878 56.100 0.183 0.000 0.990 133 R CB -0.288 30.100 30.300 0.147 0.000 0.889 133 R HN 0.474 nan 8.270 nan 0.000 0.452 134 L N -0.363 120.967 121.223 0.178 0.000 2.393 134 L HA 0.406 4.744 4.340 -0.004 0.000 0.260 134 L C -0.371 176.108 176.870 -0.652 0.000 1.002 134 L CA -1.171 53.585 54.840 -0.140 0.000 0.818 134 L CB 2.564 44.672 42.059 0.082 0.000 1.369 134 L HN -0.361 nan 8.230 nan 0.000 0.412 135 V N 1.199 120.085 119.914 -1.714 0.000 2.637 135 V HA -0.050 4.068 4.120 -0.004 0.000 0.296 135 V C 0.688 176.315 176.094 -0.778 0.000 1.046 135 V CA 0.127 61.424 62.300 -1.672 0.000 1.066 135 V CB 1.046 31.547 31.823 -2.204 0.000 0.968 135 V HN 1.007 nan 8.190 nan 0.000 0.483 136 D N 3.675 123.787 120.400 -0.480 0.000 2.157 136 D HA -0.275 4.362 4.640 -0.004 0.000 0.191 136 D C 1.106 177.363 176.300 -0.073 0.000 1.004 136 D CA 1.904 55.782 54.000 -0.203 0.000 0.854 136 D CB -0.360 40.352 40.800 -0.148 0.000 0.936 136 D HN 0.783 nan 8.370 nan 0.000 0.446 137 D N -1.906 118.472 120.400 -0.036 0.000 2.325 137 D HA -0.028 4.610 4.640 -0.004 0.000 0.225 137 D C -0.236 176.298 176.300 0.390 0.000 1.096 137 D CA -0.698 53.390 54.000 0.146 0.000 0.844 137 D CB -0.720 40.159 40.800 0.131 0.000 0.925 137 D HN 0.204 nan 8.370 nan 0.000 0.513 138 W N 0.904 122.264 121.300 0.102 0.000 2.158 138 W HA 0.241 4.898 4.660 -0.005 0.000 0.339 138 W C 0.291 177.017 176.519 0.345 0.000 1.294 138 W CA -1.144 56.304 57.345 0.171 0.000 1.231 138 W CB 0.049 29.560 29.460 0.084 0.000 1.143 138 W HN -0.046 nan 8.180 nan 0.000 0.571 139 W N 5.096 126.527 121.300 0.219 0.000 2.311 139 W HA 0.177 4.835 4.660 -0.003 0.000 0.310 139 W C -0.858 175.745 176.519 0.140 0.000 1.274 139 W CA -2.393 55.036 57.345 0.140 0.000 1.215 139 W CB -0.376 29.143 29.460 0.098 0.000 1.227 139 W HN 0.185 nan 8.180 nan 0.000 0.523 140 P HA -0.238 nan 4.420 nan 0.000 0.218 140 P C 1.051 178.462 177.300 0.186 0.000 1.148 140 P CA 2.035 65.249 63.100 0.189 0.000 0.822 140 P CB 0.213 31.975 31.700 0.103 0.000 0.784 141 E N 0.139 120.472 120.200 0.223 0.000 2.401 141 E HA -0.161 4.187 4.350 -0.004 0.000 0.199 141 E C 0.785 177.572 176.600 0.312 0.000 1.023 141 E CA 0.915 57.454 56.400 0.232 0.000 0.859 141 E CB -0.914 28.927 29.700 0.236 0.000 0.780 141 E HN 0.300 nan 8.360 nan 0.000 0.523 142 D N 1.255 121.844 120.400 0.315 0.000 2.354 142 D HA 0.002 4.639 4.640 -0.004 0.000 0.209 142 D C 1.423 177.793 176.300 0.116 0.000 1.015 142 D CA 0.138 54.331 54.000 0.321 0.000 0.867 142 D CB 0.045 41.010 40.800 0.274 0.000 0.933 142 D HN 0.346 nan 8.370 nan 0.000 0.520 143 E N 0.609 120.851 120.200 0.070 0.000 2.171 143 E HA -0.170 4.177 4.350 -0.004 0.000 0.197 143 E C -0.815 175.674 176.600 -0.185 0.000 0.997 143 E CA 0.961 57.348 56.400 -0.022 0.000 0.810 143 E CB -0.622 29.108 29.700 0.049 0.000 0.738 143 E HN 0.320 nan 8.360 nan 0.000 0.467 144 P HA -0.089 nan 4.420 nan 0.000 0.229 144 P C -0.521 176.315 177.300 -0.773 0.000 1.160 144 P CA 0.934 63.667 63.100 -0.611 0.000 0.777 144 P CB 0.053 31.272 31.700 -0.802 0.000 0.814 145 Y N -1.366 118.794 120.300 -0.233 0.000 2.310 145 Y HA 0.457 5.004 4.550 -0.005 0.000 0.326 145 Y C 1.946 177.607 175.900 -0.398 0.000 1.151 145 Y CA -0.884 57.029 58.100 -0.312 0.000 1.195 145 Y CB 0.197 38.439 38.460 -0.363 0.000 1.210 145 Y HN -0.190 nan 8.280 nan 0.000 0.483 146 A N 2.678 125.453 122.820 -0.076 0.000 1.940 146 A HA -0.321 3.996 4.320 -0.004 0.000 0.221 146 A C 1.798 179.359 177.584 -0.039 0.000 1.190 146 A CA 2.515 54.531 52.037 -0.035 0.000 0.647 146 A CB -1.508 17.517 19.000 0.042 0.000 0.821 146 A HN 0.980 nan 8.150 nan 0.000 0.457 147 Y N -1.834 118.483 120.300 0.028 0.000 2.574 147 Y HA 0.192 4.739 4.550 -0.005 0.000 0.294 147 Y C 1.896 177.732 175.900 -0.107 0.000 1.142 147 Y CA 0.979 59.057 58.100 -0.036 0.000 1.314 147 Y CB -0.654 37.760 38.460 -0.077 0.000 0.991 147 Y HN 0.181 nan 8.280 nan 0.000 0.555 148 S N 0.430 115.836 115.700 -0.490 0.000 2.601 148 S HA 0.586 5.054 4.470 -0.004 0.000 0.244 148 S C 0.711 175.305 174.600 -0.010 0.000 1.001 148 S CA -0.226 57.776 58.200 -0.330 0.000 0.984 148 S CB -1.065 61.883 63.200 -0.419 0.000 0.842 148 S HN 0.614 nan 8.310 nan 0.000 0.474 149 A N 1.427 124.268 122.820 0.034 0.000 2.520 149 A HA 0.261 4.579 4.320 -0.004 0.000 0.235 149 A C 0.400 178.136 177.584 0.252 0.000 1.065 149 A CA 0.128 52.235 52.037 0.117 0.000 0.764 149 A CB 0.087 19.151 19.000 0.107 0.000 1.002 149 A HN 0.696 nan 8.150 nan 0.000 0.502 150 Q N 0.383 120.311 119.800 0.214 0.000 2.392 150 Q HA 0.210 4.548 4.340 -0.004 0.000 0.262 150 Q C -0.353 175.786 176.000 0.233 0.000 1.003 150 Q CA 0.011 55.959 55.803 0.242 0.000 0.888 150 Q CB 0.558 29.400 28.738 0.174 0.000 1.260 150 Q HN 0.559 nan 8.270 nan 0.000 0.435 151 I N 1.429 122.142 120.570 0.240 0.000 2.353 151 I HA 0.292 4.460 4.170 -0.004 0.000 0.293 151 I C 0.157 176.355 176.117 0.134 0.000 0.992 151 I CA 0.193 61.602 61.300 0.182 0.000 1.268 151 I CB 0.996 39.062 38.000 0.109 0.000 1.387 151 I HN 0.500 nan 8.210 nan 0.000 0.478 152 S N 3.551 119.354 115.700 0.173 0.000 2.550 152 S HA 0.660 5.128 4.470 -0.004 0.000 0.270 152 S C 0.488 175.160 174.600 0.121 0.000 1.145 152 S CA 0.028 58.323 58.200 0.158 0.000 0.852 152 S CB 1.821 65.073 63.200 0.087 0.000 1.119 152 S HN 0.681 nan 8.310 nan 0.000 0.465 153 A N 2.431 125.215 122.820 -0.060 0.000 2.066 153 A HA 0.280 4.598 4.320 -0.004 0.000 0.218 153 A C 0.686 178.111 177.584 -0.266 0.000 1.157 153 A CA 0.608 52.330 52.037 -0.526 0.000 0.670 153 A CB -0.208 18.463 19.000 -0.548 0.000 0.804 153 A HN 0.750 nan 8.150 nan 0.000 0.453 154 L N 0.587 121.739 121.223 -0.118 0.000 2.353 154 L HA 0.541 4.878 4.340 -0.004 0.000 0.270 154 L C -1.201 175.645 176.870 -0.041 0.000 1.003 154 L CA 0.256 55.042 54.840 -0.090 0.000 0.862 154 L CB 0.984 42.999 42.059 -0.073 0.000 1.221 154 L HN 0.123 nan 8.230 nan 0.000 0.430 155 T N 3.629 118.164 114.554 -0.033 0.000 2.956 155 T HA 0.525 4.873 4.350 -0.004 0.000 0.312 155 T C -1.149 173.563 174.700 0.020 0.000 1.151 155 T CA -0.261 61.843 62.100 0.008 0.000 1.024 155 T CB 1.808 70.704 68.868 0.047 0.000 1.140 155 T HN 0.228 nan 8.240 nan 0.000 0.473 156 V N 3.911 123.847 119.914 0.037 0.000 2.432 156 V HA 0.705 4.823 4.120 -0.004 0.000 0.275 156 V C 0.768 176.936 176.094 0.123 0.000 1.043 156 V CA -0.661 61.678 62.300 0.065 0.000 0.925 156 V CB 0.908 32.763 31.823 0.053 0.000 0.985 156 V HN 1.081 nan 8.190 nan 0.000 0.466 157 A N 3.743 126.666 122.820 0.173 0.000 2.301 157 A HA 0.581 4.898 4.320 -0.004 0.000 0.298 157 A C -0.428 177.307 177.584 0.251 0.000 1.185 157 A CA -0.339 51.859 52.037 0.268 0.000 0.830 157 A CB 0.098 19.348 19.000 0.417 0.000 1.112 157 A HN 1.005 nan 8.150 nan 0.000 0.508 158 H N 1.431 120.576 119.070 0.125 0.000 2.467 158 H HA 0.535 5.088 4.556 -0.004 0.000 0.331 158 H C 0.802 176.118 175.328 -0.019 0.000 1.120 158 H CA 1.044 57.122 56.048 0.051 0.000 1.270 158 H CB 0.998 30.778 29.762 0.029 0.000 1.466 158 H HN 1.543 nan 8.280 nan 0.000 0.504 159 G N 3.340 111.661 108.800 -0.799 0.000 2.894 159 G HA2 -0.303 3.655 3.960 -0.004 0.000 0.247 159 G HA3 -0.303 3.655 3.960 -0.004 0.000 0.247 159 G C 0.751 175.332 174.900 -0.532 0.000 1.442 159 G CA 0.246 44.986 45.100 -0.599 0.000 0.897 159 G HN 0.920 nan 8.290 nan 0.000 0.550 160 E N -0.498 119.443 120.200 -0.433 0.000 2.478 160 E HA 0.020 4.367 4.350 -0.004 0.000 0.198 160 E C 2.002 178.342 176.600 -0.434 0.000 1.046 160 E CA 0.931 57.026 56.400 -0.508 0.000 0.870 160 E CB 0.046 29.634 29.700 -0.187 0.000 0.818 160 E HN 0.564 nan 8.360 nan 0.000 0.527 161 R N -0.155 120.158 120.500 -0.312 0.000 2.312 161 R HA 0.160 4.498 4.340 -0.004 0.000 0.205 161 R C -0.434 175.920 176.300 0.090 0.000 0.904 161 R CA -0.032 56.004 56.100 -0.107 0.000 1.052 161 R CB -0.067 30.009 30.300 -0.374 0.000 1.014 161 R HN 0.103 nan 8.270 nan 0.000 0.503 162 F N 1.739 121.780 119.950 0.151 0.000 2.905 162 F HA -0.221 4.303 4.527 -0.004 0.000 0.291 162 F C -0.723 175.177 175.800 0.166 0.000 1.002 162 F CA 0.172 58.291 58.000 0.199 0.000 0.978 162 F CB -1.429 37.777 39.000 0.343 0.000 1.036 162 F HN 0.058 nan 8.300 nan 0.000 0.820 163 D N 1.364 121.890 120.400 0.211 0.000 2.325 163 D HA 0.210 4.847 4.640 -0.004 0.000 0.251 163 D C 0.835 177.253 176.300 0.197 0.000 1.196 163 D CA 0.293 54.384 54.000 0.151 0.000 0.866 163 D CB 1.226 42.091 40.800 0.109 0.000 1.101 163 D HN 0.345 nan 8.370 nan 0.000 0.476 164 T N -1.640 113.027 114.554 0.189 0.000 2.899 164 T HA 0.455 4.803 4.350 -0.004 0.000 0.284 164 T C 1.237 176.016 174.700 0.131 0.000 1.004 164 T CA -0.155 62.052 62.100 0.178 0.000 1.043 164 T CB 1.542 70.527 68.868 0.195 0.000 1.013 164 T HN 0.530 nan 8.240 nan 0.000 0.518 165 G N 0.316 109.182 108.800 0.110 0.000 2.258 165 G HA2 -0.110 3.848 3.960 -0.004 0.000 0.274 165 G HA3 -0.110 3.848 3.960 -0.004 0.000 0.274 165 G C 0.136 175.074 174.900 0.065 0.000 1.021 165 G CA 0.503 45.655 45.100 0.086 0.000 0.798 165 G HN 1.836 nan 8.290 nan 0.000 0.507 166 V N -4.469 115.479 119.914 0.055 0.000 3.155 166 V HA 1.006 5.123 4.120 -0.004 0.000 0.313 166 V C -0.046 176.041 176.094 -0.012 0.000 1.162 166 V CA -0.148 62.159 62.300 0.012 0.000 1.048 166 V CB 2.067 33.884 31.823 -0.010 0.000 1.092 166 V HN 0.808 nan 8.190 nan 0.000 0.447 167 T N 0.224 114.742 114.554 -0.060 0.000 2.903 167 T HA 0.449 4.796 4.350 -0.004 0.000 0.299 167 T C -1.198 173.399 174.700 -0.171 0.000 1.093 167 T CA -0.365 61.683 62.100 -0.085 0.000 1.002 167 T CB 1.817 70.677 68.868 -0.012 0.000 1.127 167 T HN 1.106 nan 8.240 nan 0.000 0.488 168 E N 2.913 122.971 120.200 -0.236 0.000 2.115 168 E HA 0.529 4.877 4.350 -0.004 0.000 0.282 168 E C -0.878 175.665 176.600 -0.094 0.000 0.987 168 E CA -0.626 55.638 56.400 -0.227 0.000 0.797 168 E CB 0.834 30.346 29.700 -0.314 0.000 1.086 168 E HN 0.397 nan 8.360 nan 0.000 0.397 169 V N 3.660 123.533 119.914 -0.067 0.000 2.509 169 V HA 0.286 4.404 4.120 -0.004 0.000 0.284 169 V C -0.131 175.950 176.094 -0.022 0.000 1.047 169 V CA -0.426 61.853 62.300 -0.034 0.000 0.952 169 V CB 1.628 33.433 31.823 -0.029 0.000 0.988 169 V HN 0.637 nan 8.190 nan 0.000 0.469 170 S N 3.184 118.878 115.700 -0.010 0.000 2.502 170 S HA 0.708 5.175 4.470 -0.004 0.000 0.304 170 S C -0.668 173.932 174.600 0.000 0.000 1.097 170 S CA -0.574 57.624 58.200 -0.002 0.000 1.045 170 S CB 1.908 65.110 63.200 0.003 0.000 1.019 170 S HN 0.448 nan 8.310 nan 0.000 0.481 171 V N 3.055 122.970 119.914 0.002 0.000 2.443 171 V HA 0.538 4.656 4.120 -0.004 0.000 0.293 171 V C -0.377 175.720 176.094 0.005 0.000 1.021 171 V CA -0.540 61.762 62.300 0.003 0.000 0.848 171 V CB 1.742 33.567 31.823 0.004 0.000 0.998 171 V HN 0.912 nan 8.190 nan 0.000 0.424 172 T N 6.992 121.549 114.554 0.004 0.000 2.792 172 T HA 0.496 4.844 4.350 -0.004 0.000 0.280 172 T C -2.713 171.989 174.700 0.004 0.000 0.990 172 T CA -1.405 60.698 62.100 0.005 0.000 0.960 172 T CB 2.064 70.935 68.868 0.005 0.000 0.939 172 T HN 0.367 nan 8.240 nan 0.000 0.439 173 P HA 0.408 nan 4.420 nan 0.000 0.269 173 P C -0.549 176.753 177.300 0.003 0.000 1.215 173 P CA -0.170 62.932 63.100 0.004 0.000 0.780 173 P CB 0.602 32.304 31.700 0.004 0.000 0.898 174 A N 1.754 124.576 122.820 0.003 0.000 3.981 174 A HA 0.829 5.147 4.320 -0.004 0.000 0.153 174 A C -0.323 177.262 177.584 0.002 0.000 1.090 174 A CA -0.097 51.942 52.037 0.002 0.000 0.990 174 A CB -0.163 18.839 19.000 0.002 0.000 1.553 174 A HN 0.512 nan 8.150 nan 0.000 0.696 175 A N -0.363 122.458 122.820 0.002 0.000 2.279 175 A HA 0.540 4.857 4.320 -0.004 0.000 0.303 175 A C 0.179 177.764 177.584 0.002 0.000 1.108 175 A CA -0.213 51.825 52.037 0.002 0.000 0.830 175 A CB -0.016 18.985 19.000 0.002 0.000 1.106 175 A HN 0.725 nan 8.150 nan 0.000 0.493 176 E N 0.022 120.223 120.200 0.002 0.000 2.529 176 E HA 0.261 4.609 4.350 -0.004 0.000 0.259 176 E C 1.252 177.853 176.600 0.001 0.000 0.966 176 E CA 1.203 57.604 56.400 0.002 0.000 0.937 176 E CB -0.027 29.674 29.700 0.002 0.000 0.923 176 E HN 1.489 nan 8.360 nan 0.000 0.468 177 G N 3.697 112.498 108.800 0.001 0.000 2.253 177 G HA2 -0.305 3.652 3.960 -0.004 0.000 0.251 177 G HA3 -0.305 3.652 3.960 -0.004 0.000 0.251 177 G C -0.008 174.892 174.900 0.001 0.000 0.998 177 G CA 0.403 45.503 45.100 0.001 0.000 0.621 177 G HN 0.609 nan 8.290 nan 0.000 0.524 178 E N 1.560 121.760 120.200 0.001 0.000 2.313 178 E HA 0.447 4.794 4.350 -0.004 0.000 0.272 178 E C -2.431 174.170 176.600 0.001 0.000 1.038 178 E CA -2.029 54.372 56.400 0.001 0.000 0.863 178 E CB 1.068 30.769 29.700 0.001 0.000 1.060 178 E HN 0.133 nan 8.360 nan 0.000 0.402 179 P HA -0.044 nan 4.420 nan 0.000 0.266 179 P C -1.092 176.209 177.300 0.001 0.000 1.195 179 P CA 0.191 63.292 63.100 0.000 0.000 0.768 179 P CB 0.576 32.276 31.700 -0.000 0.000 0.838 180 A N 2.293 125.114 122.820 0.001 0.000 2.407 180 A HA 0.212 4.529 4.320 -0.004 0.000 0.248 180 A C 0.125 177.710 177.584 0.001 0.000 1.082 180 A CA -0.121 51.917 52.037 0.002 0.000 0.785 180 A CB -0.230 18.771 19.000 0.002 0.000 1.020 180 A HN 0.530 nan 8.150 nan 0.000 0.489 181 D N 1.093 121.495 120.400 0.002 0.000 2.317 181 D HA 0.401 5.039 4.640 -0.004 0.000 0.252 181 D C -0.758 175.543 176.300 0.002 0.000 1.174 181 D CA 0.216 54.218 54.000 0.002 0.000 0.866 181 D CB 0.670 41.472 40.800 0.003 0.000 1.127 181 D HN 0.155 nan 8.370 nan 0.000 0.467 182 V N 4.222 124.137 119.914 0.001 0.000 2.409 182 V HA 0.353 4.471 4.120 -0.004 0.000 0.291 182 V C -0.497 175.598 176.094 0.001 0.000 1.020 182 V CA -0.875 61.425 62.300 0.000 0.000 0.848 182 V CB 1.767 33.589 31.823 -0.003 0.000 0.990 182 V HN 0.543 nan 8.190 nan 0.000 0.430 183 D N 3.503 123.904 120.400 0.003 0.000 2.256 183 D HA 0.520 5.158 4.640 -0.004 0.000 0.246 183 D C 0.578 176.881 176.300 0.004 0.000 1.042 183 D CA -0.440 53.564 54.000 0.007 0.000 0.841 183 D CB 2.277 43.084 40.800 0.010 0.000 1.223 183 D HN 0.332 nan 8.370 nan 0.000 0.470 184 L N 1.546 122.775 121.223 0.009 0.000 2.607 184 L HA 0.285 4.623 4.340 -0.004 0.000 0.228 184 L C 1.435 178.314 176.870 0.015 0.000 1.123 184 L CA -0.008 54.837 54.840 0.008 0.000 0.890 184 L CB -0.694 41.372 42.059 0.012 0.000 1.103 184 L HN 0.708 nan 8.230 nan 0.000 0.468 185 G N 0.941 109.754 108.800 0.021 0.000 2.547 185 G HA2 -0.423 3.534 3.960 -0.004 0.000 0.271 185 G HA3 -0.423 3.534 3.960 -0.004 0.000 0.271 185 G C 0.940 175.875 174.900 0.058 0.000 1.209 185 G CA 0.341 45.460 45.100 0.030 0.000 0.959 185 G HN 0.271 nan 8.290 nan 0.000 0.563 186 A N -0.524 122.336 122.820 0.067 0.000 1.978 186 A HA 0.280 4.597 4.320 -0.004 0.000 0.220 186 A C 2.837 180.497 177.584 0.126 0.000 1.170 186 A CA 3.221 55.316 52.037 0.096 0.000 0.636 186 A CB -0.846 18.209 19.000 0.091 0.000 0.810 186 A HN 2.337 nan 8.150 nan 0.000 0.448 187 A N -0.422 122.457 122.820 0.099 0.000 2.239 187 A HA 0.109 4.427 4.320 -0.004 0.000 0.209 187 A C 0.604 178.247 177.584 0.099 0.000 1.171 187 A CA 0.003 52.119 52.037 0.131 0.000 0.768 187 A CB -0.218 18.858 19.000 0.126 0.000 0.790 187 A HN 0.435 nan 8.150 nan 0.000 0.478 188 E N -0.499 119.758 120.200 0.095 0.000 2.415 188 E HA 0.273 4.620 4.350 -0.004 0.000 0.263 188 E C 1.213 177.858 176.600 0.075 0.000 0.995 188 E CA 1.078 57.523 56.400 0.074 0.000 0.915 188 E CB 0.421 30.172 29.700 0.086 0.000 0.951 188 E HN 0.643 nan 8.360 nan 0.000 0.449 189 G N 2.687 111.484 108.800 -0.005 0.000 2.179 189 G HA2 -0.363 3.594 3.960 -0.004 0.000 0.260 189 G HA3 -0.363 3.594 3.960 -0.004 0.000 0.260 189 G C 0.469 175.169 174.900 -0.333 0.000 0.977 189 G CA 0.762 45.812 45.100 -0.083 0.000 0.641 189 G HN 0.599 nan 8.290 nan 0.000 0.533 190 Y N 0.377 120.428 120.300 -0.415 0.000 2.972 190 Y HA 0.706 5.254 4.550 -0.004 0.000 0.229 190 Y C 1.688 177.486 175.900 -0.170 0.000 0.980 190 Y CA 1.373 59.252 58.100 -0.368 0.000 1.475 190 Y CB -0.146 38.100 38.460 -0.356 0.000 1.459 190 Y HN 0.651 nan 8.280 nan 0.000 0.460 191 A N 1.925 124.633 122.820 -0.186 0.000 2.351 191 A HA 0.369 4.687 4.320 -0.004 0.000 0.257 191 A C -0.237 177.255 177.584 -0.153 0.000 1.087 191 A CA -0.506 51.397 52.037 -0.223 0.000 0.798 191 A CB 0.064 19.030 19.000 -0.056 0.000 1.033 191 A HN 0.440 nan 8.150 nan 0.000 0.488 192 E N -0.198 119.914 120.200 -0.146 0.000 2.349 192 E HA 0.379 4.726 4.350 -0.004 0.000 0.262 192 E C -1.169 175.391 176.600 -0.067 0.000 1.088 192 E CA -0.503 55.837 56.400 -0.100 0.000 0.899 192 E CB 1.633 31.276 29.700 -0.095 0.000 1.044 192 E HN 0.438 nan 8.360 nan 0.000 0.420 193 L N 1.950 123.144 121.223 -0.049 0.000 2.333 193 L HA 0.330 4.668 4.340 -0.004 0.000 0.280 193 L C -0.974 175.878 176.870 -0.030 0.000 1.004 193 L CA -0.355 54.464 54.840 -0.035 0.000 0.820 193 L CB 1.540 43.584 42.059 -0.025 0.000 1.247 193 L HN 0.259 nan 8.230 nan 0.000 0.416 194 D N 3.084 123.468 120.400 -0.027 0.000 2.434 194 D HA 0.202 4.840 4.640 -0.004 0.000 0.275 194 D C -0.860 175.431 176.300 -0.016 0.000 1.172 194 D CA -0.216 53.772 54.000 -0.021 0.000 0.916 194 D CB 0.243 41.030 40.800 -0.023 0.000 1.041 194 D HN 0.449 nan 8.370 nan 0.000 0.501 195 N N 2.177 120.869 118.700 -0.013 0.000 2.415 195 N HA 0.125 4.863 4.740 -0.004 0.000 0.246 195 N C 0.312 175.818 175.510 -0.006 0.000 1.078 195 N CA -0.092 52.953 53.050 -0.009 0.000 0.942 195 N CB 0.489 38.971 38.487 -0.007 0.000 1.140 195 N HN 0.211 nan 8.380 nan 0.000 0.501 196 R N 1.630 122.127 120.500 -0.005 0.000 2.437 196 R HA 0.277 4.615 4.340 -0.004 0.000 0.257 196 R C 0.042 176.342 176.300 -0.001 0.000 0.927 196 R CA -0.316 55.782 56.100 -0.003 0.000 1.078 196 R CB -0.043 30.256 30.300 -0.003 0.000 1.161 196 R HN 0.467 nan 8.270 nan 0.000 0.529 197 A N 1.412 124.232 122.820 -0.000 0.000 2.425 197 A HA 0.369 4.687 4.320 -0.004 0.000 0.249 197 A C 0.095 177.680 177.584 0.001 0.000 1.084 197 A CA -0.077 51.961 52.037 0.002 0.000 0.781 197 A CB 0.768 19.769 19.000 0.002 0.000 1.019 197 A HN 0.029 nan 8.150 nan 0.000 0.490 198 V N 1.730 121.645 119.914 0.002 0.000 3.074 198 V HA 0.638 4.756 4.120 -0.004 0.000 0.314 198 V C 0.107 176.202 176.094 0.003 0.000 1.117 198 V CA -0.434 61.867 62.300 0.002 0.000 1.014 198 V CB 2.548 34.372 31.823 0.002 0.000 1.057 198 V HN 0.942 nan 8.190 nan 0.000 0.438 199 T N 4.122 118.677 114.554 0.002 0.000 2.743 199 T HA 0.543 4.890 4.350 -0.004 0.000 0.293 199 T C 0.320 175.021 174.700 0.003 0.000 0.945 199 T CA 0.427 62.529 62.100 0.003 0.000 1.030 199 T CB 0.819 69.689 68.868 0.002 0.000 0.912 199 T HN 1.068 nan 8.240 nan 0.000 0.483 200 G N 1.749 110.551 108.800 0.003 0.000 2.580 200 G HA2 0.580 4.538 3.960 -0.004 0.000 0.278 200 G HA3 0.580 4.538 3.960 -0.004 0.000 0.278 200 G C 0.082 174.983 174.900 0.003 0.000 1.212 200 G CA -0.786 44.316 45.100 0.003 0.000 0.939 200 G HN 0.953 nan 8.290 nan 0.000 0.513 201 A N -0.566 122.255 122.820 0.002 0.000 2.406 201 A HA 0.611 4.929 4.320 -0.004 0.000 0.243 201 A C 1.021 178.606 177.584 0.002 0.000 1.082 201 A CA 0.353 52.391 52.037 0.002 0.000 0.786 201 A CB -0.087 18.914 19.000 0.002 0.000 1.029 201 A HN 1.889 nan 8.150 nan 0.000 0.495 202 A N 0.200 123.021 122.820 0.002 0.000 2.540 202 A HA 0.475 4.792 4.320 -0.004 0.000 0.239 202 A C 1.616 179.202 177.584 0.002 0.000 1.061 202 A CA 0.804 52.843 52.037 0.002 0.000 0.758 202 A CB -0.820 18.181 19.000 0.002 0.000 0.991 202 A HN 2.757 nan 8.150 nan 0.000 0.502 203 G N 1.385 110.186 108.800 0.002 0.000 2.179 203 G HA2 -0.216 3.741 3.960 -0.004 0.000 0.260 203 G HA3 -0.216 3.741 3.960 -0.004 0.000 0.260 203 G C 0.699 175.601 174.900 0.002 0.000 0.977 203 G CA 1.076 46.177 45.100 0.002 0.000 0.641 203 G HN 2.107 nan 8.290 nan 0.000 0.533 204 S N -0.010 115.691 115.700 0.003 0.000 2.641 204 S HA 0.747 5.215 4.470 -0.004 0.000 0.261 204 S C 0.664 175.266 174.600 0.003 0.000 1.257 204 S CA 0.404 58.605 58.200 0.003 0.000 0.983 204 S CB 1.634 64.836 63.200 0.003 0.000 0.990 204 S HN 1.898 nan 8.310 nan 0.000 0.572 205 A N 1.286 124.109 122.820 0.004 0.000 2.328 205 A HA 0.433 4.751 4.320 -0.004 0.000 0.284 205 A C 0.282 177.869 177.584 0.005 0.000 1.160 205 A CA -0.634 51.406 52.037 0.004 0.000 0.818 205 A CB -0.333 18.670 19.000 0.004 0.000 1.087 205 A HN 0.790 nan 8.150 nan 0.000 0.504 206 N N 1.693 120.396 118.700 0.005 0.000 2.442 206 N HA 0.170 4.907 4.740 -0.004 0.000 0.265 206 N C 0.582 176.097 175.510 0.008 0.000 1.138 206 N CA 0.749 53.803 53.050 0.007 0.000 0.956 206 N CB 0.714 39.205 38.487 0.007 0.000 1.067 206 N HN 0.628 nan 8.380 nan 0.000 0.474 207 T N 1.034 115.593 114.554 0.009 0.000 3.231 207 T HA 0.166 4.513 4.350 -0.004 0.000 0.292 207 T C 0.486 175.194 174.700 0.014 0.000 1.001 207 T CA -0.557 61.550 62.100 0.011 0.000 0.920 207 T CB -0.407 68.467 68.868 0.010 0.000 1.140 207 T HN 0.264 nan 8.240 nan 0.000 0.525 208 L N 2.665 123.896 121.223 0.014 0.000 2.525 208 L HA 0.455 4.793 4.340 -0.004 0.000 0.278 208 L C -0.652 176.231 176.870 0.023 0.000 1.218 208 L CA 0.478 55.327 54.840 0.016 0.000 0.878 208 L CB 0.610 42.677 42.059 0.014 0.000 1.127 208 L HN 0.208 nan 8.230 nan 0.000 0.492 209 V N 6.737 126.665 119.914 0.024 0.000 2.623 209 V HA 0.429 4.546 4.120 -0.004 0.000 0.304 209 V C -0.301 175.811 176.094 0.030 0.000 1.054 209 V CA -0.489 61.832 62.300 0.035 0.000 0.882 209 V CB 1.753 33.598 31.823 0.036 0.000 1.002 209 V HN 0.569 nan 8.190 nan 0.000 0.424 210 I N 4.071 124.665 120.570 0.039 0.000 2.355 210 I HA 0.578 4.745 4.170 -0.004 0.000 0.288 210 I C -0.720 175.401 176.117 0.007 0.000 0.999 210 I CA -0.067 61.243 61.300 0.017 0.000 1.163 210 I CB 1.715 39.722 38.000 0.013 0.000 1.316 210 I HN 0.634 nan 8.210 nan 0.000 0.454 211 D N 4.914 125.302 120.400 -0.021 0.000 2.559 211 D HA 0.456 5.094 4.640 -0.004 0.000 0.250 211 D C -0.887 175.363 176.300 -0.084 0.000 1.135 211 D CA -0.778 53.188 54.000 -0.056 0.000 0.955 211 D CB 2.135 42.929 40.800 -0.010 0.000 1.442 211 D HN 0.407 nan 8.370 nan 0.000 0.471 212 R N 1.842 122.270 120.500 -0.119 0.000 2.407 212 R HA 0.460 4.798 4.340 -0.004 0.000 0.298 212 R C -2.591 173.667 176.300 -0.071 0.000 1.166 212 R CA -1.735 54.306 56.100 -0.098 0.000 1.006 212 R CB 1.269 31.495 30.300 -0.123 0.000 1.145 212 R HN 0.227 nan 8.270 nan 0.000 0.538 213 P HA -0.169 nan 4.420 nan 0.000 0.261 213 P C -0.153 177.134 177.300 -0.021 0.000 1.173 213 P CA 0.060 63.145 63.100 -0.025 0.000 0.760 213 P CB 0.637 32.324 31.700 -0.021 0.000 0.783 214 V N 4.629 124.539 119.914 -0.006 0.000 2.720 214 V HA 0.138 4.256 4.120 -0.004 0.000 0.307 214 V C 1.449 177.544 176.094 0.002 0.000 1.071 214 V CA 1.877 64.179 62.300 0.005 0.000 1.199 214 V CB -0.645 31.189 31.823 0.020 0.000 0.900 214 V HN 1.005 nan 8.190 nan 0.000 0.494 215 G N 3.630 112.435 108.800 0.007 0.000 2.153 215 G HA2 -0.214 3.743 3.960 -0.004 0.000 0.252 215 G HA3 -0.214 3.743 3.960 -0.004 0.000 0.252 215 G C 0.272 175.167 174.900 -0.008 0.000 0.994 215 G CA 0.977 46.081 45.100 0.005 0.000 0.698 215 G HN 1.895 nan 8.290 nan 0.000 0.521 216 T N -3.516 111.028 114.554 -0.018 0.000 2.887 216 T HA 0.646 4.993 4.350 -0.004 0.000 0.292 216 T C -0.101 174.570 174.700 -0.047 0.000 1.087 216 T CA -0.163 61.916 62.100 -0.035 0.000 1.009 216 T CB 2.118 70.963 68.868 -0.037 0.000 1.203 216 T HN 0.229 nan 8.240 nan 0.000 0.518 217 N N 0.195 118.850 118.700 -0.076 0.000 2.535 217 N HA 0.314 5.051 4.740 -0.004 0.000 0.294 217 N C -1.041 174.401 175.510 -0.114 0.000 1.408 217 N CA -0.305 52.682 53.050 -0.105 0.000 0.927 217 N CB 0.395 38.771 38.487 -0.186 0.000 1.276 217 N HN 0.705 nan 8.380 nan 0.000 0.505 218 T N 0.768 115.273 114.554 -0.081 0.000 2.829 218 T HA 0.406 4.754 4.350 -0.004 0.000 0.280 218 T C -0.103 174.562 174.700 -0.059 0.000 0.999 218 T CA -0.517 61.541 62.100 -0.071 0.000 0.983 218 T CB 1.307 70.140 68.868 -0.059 0.000 0.968 218 T HN -0.035 nan 8.240 nan 0.000 0.446 219 I N 3.187 123.725 120.570 -0.053 0.000 2.291 219 I HA 0.409 4.576 4.170 -0.004 0.000 0.292 219 I C 0.578 176.673 176.117 -0.037 0.000 1.064 219 I CA -0.808 60.464 61.300 -0.047 0.000 1.269 219 I CB 0.069 38.045 38.000 -0.039 0.000 1.418 219 I HN 0.691 nan 8.210 nan 0.000 0.485 220 A N 7.476 130.276 122.820 -0.034 0.000 2.260 220 A HA 0.673 4.991 4.320 -0.004 0.000 0.308 220 A C -0.305 177.270 177.584 -0.015 0.000 1.254 220 A CA -0.425 51.598 52.037 -0.023 0.000 0.874 220 A CB 0.718 19.706 19.000 -0.020 0.000 1.153 220 A HN 0.433 nan 8.150 nan 0.000 0.527 221 V N 3.024 122.932 119.914 -0.010 0.000 2.448 221 V HA 0.742 4.860 4.120 -0.004 0.000 0.295 221 V C 0.401 176.495 176.094 0.000 0.000 1.025 221 V CA -0.033 62.265 62.300 -0.003 0.000 0.859 221 V CB 1.388 33.208 31.823 -0.004 0.000 0.988 221 V HN 1.139 nan 8.190 nan 0.000 0.431 222 T N 0.608 115.165 114.554 0.005 0.000 2.838 222 T HA 0.950 5.298 4.350 -0.004 0.000 0.292 222 T C 0.117 174.822 174.700 0.009 0.000 1.113 222 T CA -0.087 62.016 62.100 0.006 0.000 1.008 222 T CB 1.769 70.641 68.868 0.007 0.000 1.259 222 T HN 2.062 nan 8.240 nan 0.000 0.520 223 G N 0.445 109.250 108.800 0.008 0.000 2.660 223 G HA2 0.228 4.186 3.960 -0.004 0.000 0.247 223 G HA3 0.228 4.186 3.960 -0.004 0.000 0.247 223 G C -0.606 174.298 174.900 0.007 0.000 1.328 223 G CA -0.361 44.744 45.100 0.009 0.000 0.884 223 G HN 1.442 nan 8.290 nan 0.000 0.531 224 S N -0.777 114.927 115.700 0.007 0.000 2.538 224 S HA 0.659 5.127 4.470 -0.004 0.000 0.288 224 S C -0.822 173.782 174.600 0.006 0.000 1.108 224 S CA -0.518 57.685 58.200 0.006 0.000 0.971 224 S CB 1.860 65.063 63.200 0.005 0.000 1.041 224 S HN 1.280 nan 8.310 nan 0.000 0.483 225 L N 5.141 126.367 121.223 0.005 0.000 2.305 225 L HA 0.575 4.913 4.340 -0.004 0.000 0.284 225 L C -2.512 174.361 176.870 0.005 0.000 1.013 225 L CA -1.992 52.851 54.840 0.006 0.000 0.819 225 L CB 0.950 43.013 42.059 0.006 0.000 1.227 225 L HN 0.311 nan 8.230 nan 0.000 0.417 226 P HA 0.004 nan 4.420 nan 0.000 0.266 226 P C 0.118 177.420 177.300 0.004 0.000 1.195 226 P CA 0.076 63.178 63.100 0.004 0.000 0.768 226 P CB 0.763 32.465 31.700 0.004 0.000 0.838 227 A N 3.338 126.160 122.820 0.003 0.000 2.024 227 A HA -0.186 4.131 4.320 -0.004 0.000 0.220 227 A C 1.388 178.973 177.584 0.003 0.000 1.164 227 A CA 1.924 53.963 52.037 0.003 0.000 0.643 227 A CB -0.926 18.075 19.000 0.003 0.000 0.806 227 A HN 0.650 nan 8.150 nan 0.000 0.451 228 D N -0.750 119.651 120.400 0.003 0.000 2.363 228 D HA 0.397 5.034 4.640 -0.004 0.000 0.214 228 D C 0.505 176.807 176.300 0.003 0.000 1.093 228 D CA 0.474 54.476 54.000 0.003 0.000 0.837 228 D CB -0.395 40.407 40.800 0.003 0.000 0.948 228 D HN 0.323 nan 8.370 nan 0.000 0.507 229 A N 0.534 123.356 122.820 0.004 0.000 2.322 229 A HA 0.622 4.939 4.320 -0.004 0.000 0.269 229 A C 0.543 178.129 177.584 0.005 0.000 1.094 229 A CA -0.199 51.840 52.037 0.004 0.000 0.807 229 A CB 0.560 19.562 19.000 0.005 0.000 1.047 229 A HN 0.324 nan 8.150 nan 0.000 0.487 230 A N 2.739 125.562 122.820 0.005 0.000 2.425 230 A HA 0.553 4.871 4.320 -0.004 0.000 0.249 230 A C -2.193 175.394 177.584 0.006 0.000 1.084 230 A CA -1.052 50.988 52.037 0.005 0.000 0.781 230 A CB -0.751 18.252 19.000 0.005 0.000 1.019 230 A HN 0.651 nan 8.150 nan 0.000 0.490 231 P HA 0.213 nan 4.420 nan 0.000 0.266 231 P C -0.746 176.558 177.300 0.007 0.000 1.193 231 P CA 0.047 63.151 63.100 0.006 0.000 0.770 231 P CB 0.501 32.205 31.700 0.007 0.000 0.836 232 V N 2.537 122.455 119.914 0.007 0.000 2.547 232 V HA 0.557 4.674 4.120 -0.004 0.000 0.299 232 V C 0.383 176.481 176.094 0.006 0.000 1.040 232 V CA -0.265 62.039 62.300 0.008 0.000 0.913 232 V CB 1.808 33.636 31.823 0.009 0.000 0.992 232 V HN 0.729 nan 8.190 nan 0.000 0.449 233 T N 1.143 115.700 114.554 0.006 0.000 2.893 233 T HA 0.920 5.268 4.350 -0.004 0.000 0.291 233 T C -0.644 174.056 174.700 0.000 0.000 1.028 233 T CA -0.587 61.514 62.100 0.000 0.000 0.995 233 T CB 2.082 70.951 68.868 0.002 0.000 1.051 233 T HN 1.316 nan 8.240 nan 0.000 0.470 234 A N 2.483 125.296 122.820 -0.012 0.000 2.540 234 A HA 0.648 4.965 4.320 -0.004 0.000 0.297 234 A C -1.057 176.505 177.584 -0.036 0.000 1.056 234 A CA -0.941 51.095 52.037 -0.003 0.000 0.700 234 A CB 1.160 20.172 19.000 0.021 0.000 1.280 234 A HN 0.937 nan 8.150 nan 0.000 0.398 235 L N 2.918 124.121 121.223 -0.032 0.000 2.290 235 L HA 0.546 4.883 4.340 -0.004 0.000 0.284 235 L C 0.141 176.980 176.870 -0.052 0.000 1.078 235 L CA -0.511 54.286 54.840 -0.072 0.000 0.815 235 L CB 0.698 42.722 42.059 -0.057 0.000 1.162 235 L HN 0.624 nan 8.230 nan 0.000 0.435 236 R N 1.208 121.658 120.500 -0.082 0.000 2.686 236 R HA 0.424 4.762 4.340 -0.004 0.000 0.286 236 R C -0.291 175.956 176.300 -0.089 0.000 0.969 236 R CA -0.678 55.355 56.100 -0.111 0.000 0.898 236 R CB 2.166 32.400 30.300 -0.111 0.000 1.183 236 R HN 0.699 nan 8.270 nan 0.000 0.456 237 T N -1.675 112.813 114.554 -0.110 0.000 2.828 237 T HA 0.485 4.833 4.350 -0.004 0.000 0.290 237 T C 0.650 175.342 174.700 -0.014 0.000 1.019 237 T CA -0.595 61.475 62.100 -0.051 0.000 1.031 237 T CB 0.924 69.757 68.868 -0.059 0.000 1.001 237 T HN 0.374 nan 8.240 nan 0.000 0.531 238 V N -1.474 118.468 119.914 0.045 0.000 2.962 238 V HA 0.652 4.770 4.120 -0.004 0.000 0.313 238 V C -0.696 175.474 176.094 0.127 0.000 1.099 238 V CA -1.318 61.045 62.300 0.105 0.000 0.971 238 V CB 1.696 33.648 31.823 0.215 0.000 1.028 238 V HN 0.975 nan 8.190 nan 0.000 0.430 239 D N 2.080 122.559 120.400 0.131 0.000 2.350 239 D HA 0.261 4.899 4.640 -0.004 0.000 0.249 239 D C 0.033 176.456 176.300 0.205 0.000 1.119 239 D CA 0.783 54.856 54.000 0.121 0.000 0.886 239 D CB 0.471 41.305 40.800 0.058 0.000 1.195 239 D HN 0.802 nan 8.370 nan 0.000 0.437 240 E N 2.366 122.661 120.200 0.158 0.000 2.811 240 E HA -0.150 4.197 4.350 -0.004 0.000 0.150 240 E C -1.939 174.736 176.600 0.126 0.000 1.823 240 E CA 0.077 56.569 56.400 0.154 0.000 0.661 240 E CB -0.836 28.971 29.700 0.180 0.000 1.086 240 E HN 0.507 nan 8.360 nan 0.000 0.354 241 P HA -0.206 nan 4.420 nan 0.000 0.216 241 P C 1.344 178.633 177.300 -0.018 0.000 1.150 241 P CA 2.241 65.361 63.100 0.033 0.000 0.843 241 P CB 0.196 31.934 31.700 0.063 0.000 0.787 242 A N -0.156 122.670 122.820 0.011 0.000 1.933 242 A HA -0.089 4.228 4.320 -0.004 0.000 0.218 242 A C 2.287 179.854 177.584 -0.029 0.000 1.175 242 A CA 1.918 53.952 52.037 -0.005 0.000 0.628 242 A CB -1.531 17.483 19.000 0.024 0.000 0.814 242 A HN 0.201 nan 8.150 nan 0.000 0.444 243 A N -0.681 122.130 122.820 -0.015 0.000 2.015 243 A HA 0.048 4.366 4.320 -0.004 0.000 0.219 243 A C 2.068 179.458 177.584 -0.324 0.000 1.163 243 A CA 1.589 53.615 52.037 -0.018 0.000 0.646 243 A CB -0.448 18.675 19.000 0.205 0.000 0.806 243 A HN 0.663 nan 8.150 nan 0.000 0.448 244 L N -0.440 120.429 121.223 -0.591 0.000 2.072 244 L HA 0.103 4.440 4.340 -0.004 0.000 0.205 244 L C 2.577 179.302 176.870 -0.242 0.000 1.079 244 L CA 1.996 56.372 54.840 -0.773 0.000 0.752 244 L CB -0.847 40.845 42.059 -0.611 0.000 0.906 244 L HN 0.289 nan 8.230 nan 0.000 0.436 245 A N -0.260 122.480 122.820 -0.135 0.000 1.940 245 A HA -0.098 4.220 4.320 -0.004 0.000 0.219 245 A C 2.335 179.925 177.584 0.010 0.000 1.176 245 A CA 1.614 53.625 52.037 -0.043 0.000 0.631 245 A CB -1.627 17.344 19.000 -0.047 0.000 0.814 245 A HN 0.535 nan 8.150 nan 0.000 0.446 246 G N -1.268 107.532 108.800 -0.001 0.000 2.418 246 G HA2 -0.302 3.656 3.960 -0.004 0.000 0.217 246 G HA3 -0.302 3.656 3.960 -0.004 0.000 0.217 246 G C 1.492 176.445 174.900 0.088 0.000 1.158 246 G CA 1.493 46.630 45.100 0.061 0.000 0.771 246 G HN 0.759 nan 8.290 nan 0.000 0.545 247 H N 0.623 119.664 119.070 -0.049 0.000 2.293 247 H HA 0.081 4.635 4.556 -0.004 0.000 0.300 247 H C 2.530 177.858 175.328 -0.001 0.000 1.082 247 H CA 1.492 57.526 56.048 -0.025 0.000 1.308 247 H CB -0.361 29.365 29.762 -0.059 0.000 1.375 247 H HN 0.251 nan 8.280 nan 0.000 0.495 248 L N -1.012 120.178 121.223 -0.055 0.000 2.079 248 L HA -0.161 4.176 4.340 -0.004 0.000 0.210 248 L C 2.169 179.031 176.870 -0.013 0.000 1.081 248 L CA 1.176 55.974 54.840 -0.070 0.000 0.752 248 L CB -0.476 41.595 42.059 0.021 0.000 0.896 248 L HN 0.281 nan 8.230 nan 0.000 0.433 249 F N 1.234 121.120 119.950 -0.107 0.000 2.259 249 F HA -0.163 4.361 4.527 -0.004 0.000 0.298 249 F C 2.454 178.196 175.800 -0.097 0.000 1.088 249 F CA 1.488 59.438 58.000 -0.083 0.000 1.358 249 F CB -0.090 38.876 39.000 -0.056 0.000 1.040 249 F HN 0.078 nan 8.300 nan 0.000 0.505 250 E N 0.749 120.884 120.200 -0.108 0.000 2.058 250 E HA -0.243 4.104 4.350 -0.004 0.000 0.194 250 E C 1.949 178.398 176.600 -0.251 0.000 0.997 250 E CA 2.195 58.482 56.400 -0.187 0.000 0.801 250 E CB -0.492 29.135 29.700 -0.122 0.000 0.746 250 E HN 0.552 nan 8.360 nan 0.000 0.450 251 E N -0.120 119.915 120.200 -0.274 0.000 2.110 251 E HA -0.151 4.197 4.350 -0.004 0.000 0.193 251 E C 2.043 178.522 176.600 -0.201 0.000 0.988 251 E CA 0.969 57.228 56.400 -0.235 0.000 0.804 251 E CB -0.242 29.303 29.700 -0.259 0.000 0.745 251 E HN 0.431 nan 8.360 nan 0.000 0.458 252 A N 1.246 123.931 122.820 -0.225 0.000 1.858 252 A HA -0.183 4.135 4.320 -0.004 0.000 0.216 252 A C 2.198 179.608 177.584 -0.290 0.000 1.190 252 A CA 1.118 53.024 52.037 -0.219 0.000 0.617 252 A CB -0.763 18.123 19.000 -0.189 0.000 0.827 252 A HN 0.132 nan 8.150 nan 0.000 0.443 253 L N -0.987 119.955 121.223 -0.468 0.000 1.990 253 L HA -0.259 4.078 4.340 -0.004 0.000 0.213 253 L C 2.720 179.455 176.870 -0.225 0.000 1.072 253 L CA 1.953 56.552 54.840 -0.403 0.000 0.755 253 L CB -0.609 41.168 42.059 -0.471 0.000 0.889 253 L HN 0.418 nan 8.230 nan 0.000 0.432 254 E N -0.162 119.920 120.200 -0.197 0.000 2.097 254 E HA -0.247 4.100 4.350 -0.004 0.000 0.196 254 E C 2.339 178.876 176.600 -0.105 0.000 1.000 254 E CA 1.674 57.996 56.400 -0.130 0.000 0.804 254 E CB -0.216 29.413 29.700 -0.117 0.000 0.740 254 E HN 0.247 nan 8.360 nan 0.000 0.454 255 S N -0.515 115.118 115.700 -0.112 0.000 2.447 255 S HA -0.024 4.444 4.470 -0.004 0.000 0.233 255 S C 1.141 175.696 174.600 -0.074 0.000 1.006 255 S CA 0.767 58.917 58.200 -0.083 0.000 0.957 255 S CB -0.224 62.929 63.200 -0.078 0.000 0.773 255 S HN 0.270 nan 8.310 nan 0.000 0.507 256 N N 0.361 119.005 118.700 -0.093 0.000 2.251 256 N HA 0.177 4.914 4.740 -0.004 0.000 0.217 256 N C 0.935 176.407 175.510 -0.064 0.000 1.124 256 N CA 0.677 53.683 53.050 -0.074 0.000 0.843 256 N CB 0.809 39.246 38.487 -0.083 0.000 1.024 256 N HN 0.535 nan 8.380 nan 0.000 0.501 257 G N 0.271 109.032 108.800 -0.064 0.000 2.157 257 G HA2 -0.250 3.708 3.960 -0.004 0.000 0.248 257 G HA3 -0.250 3.708 3.960 -0.004 0.000 0.248 257 G C -0.060 174.807 174.900 -0.055 0.000 0.979 257 G CA -0.088 44.981 45.100 -0.051 0.000 0.650 257 G HN 0.175 nan 8.290 nan 0.000 0.529 258 V N 1.921 121.788 119.914 -0.078 0.000 2.350 258 V HA 0.561 4.679 4.120 -0.004 0.000 0.276 258 V C 0.663 176.707 176.094 -0.083 0.000 1.028 258 V CA -0.102 62.152 62.300 -0.077 0.000 0.860 258 V CB 1.436 33.199 31.823 -0.100 0.000 0.990 258 V HN 0.277 nan 8.190 nan 0.000 0.453 259 T N 4.764 119.284 114.554 -0.057 0.000 2.856 259 T HA 0.470 4.818 4.350 -0.004 0.000 0.292 259 T C -0.117 174.554 174.700 -0.049 0.000 0.980 259 T CA -0.245 61.823 62.100 -0.052 0.000 1.091 259 T CB 1.468 70.315 68.868 -0.036 0.000 0.936 259 T HN 0.360 nan 8.240 nan 0.000 0.503 260 V N 5.394 125.276 119.914 -0.054 0.000 2.334 260 V HA 0.255 4.373 4.120 -0.004 0.000 0.281 260 V C 0.914 176.986 176.094 -0.037 0.000 1.016 260 V CA -0.727 61.544 62.300 -0.048 0.000 0.832 260 V CB 1.390 33.173 31.823 -0.066 0.000 0.999 260 V HN 0.772 nan 8.190 nan 0.000 0.439 261 K N 3.074 123.458 120.400 -0.026 0.000 2.098 261 K HA 0.143 4.460 4.320 -0.004 0.000 0.203 261 K C 1.316 177.902 176.600 -0.023 0.000 1.051 261 K CA 0.895 57.170 56.287 -0.019 0.000 0.957 261 K CB 0.009 32.504 32.500 -0.008 0.000 0.738 261 K HN 0.703 nan 8.250 nan 0.000 0.447 262 G N 1.682 110.463 108.800 -0.031 0.000 2.485 262 G HA2 0.078 4.035 3.960 -0.004 0.000 0.260 262 G HA3 0.078 4.035 3.960 -0.004 0.000 0.260 262 G C -0.229 174.631 174.900 -0.067 0.000 1.459 262 G CA -0.379 44.693 45.100 -0.045 0.000 1.060 262 G HN 0.034 nan 8.290 nan 0.000 0.546 263 D N -1.479 118.860 120.400 -0.100 0.000 2.440 263 D HA 0.475 5.113 4.640 -0.004 0.000 0.258 263 D C -0.371 175.824 176.300 -0.176 0.000 1.092 263 D CA -0.160 53.777 54.000 -0.104 0.000 1.016 263 D CB 1.938 42.688 40.800 -0.083 0.000 1.141 263 D HN 0.044 nan 8.370 nan 0.000 0.552 264 V N -0.183 119.659 119.914 -0.119 0.000 2.459 264 V HA 0.786 4.903 4.120 -0.004 0.000 0.295 264 V C 0.648 176.677 176.094 -0.109 0.000 1.029 264 V CA -0.344 61.879 62.300 -0.128 0.000 0.874 264 V CB 1.379 33.198 31.823 -0.008 0.000 0.985 264 V HN 0.785 nan 8.190 nan 0.000 0.438 265 G N 3.048 111.751 108.800 -0.162 0.000 2.554 265 G HA2 0.586 4.543 3.960 -0.004 0.000 0.306 265 G HA3 0.586 4.543 3.960 -0.004 0.000 0.306 265 G C -1.736 173.220 174.900 0.094 0.000 1.320 265 G CA -0.923 44.163 45.100 -0.024 0.000 0.800 265 G HN 0.566 nan 8.290 nan 0.000 0.481 266 L N 0.318 121.643 121.223 0.170 0.000 2.350 266 L HA 0.737 5.074 4.340 -0.004 0.000 0.275 266 L C 0.751 177.781 176.870 0.266 0.000 1.099 266 L CA 0.007 54.960 54.840 0.188 0.000 0.808 266 L CB 1.421 43.555 42.059 0.125 0.000 1.149 266 L HN 1.050 nan 8.230 nan 0.000 0.442 267 G N 1.046 109.962 108.800 0.193 0.000 2.404 267 G HA2 0.456 4.414 3.960 -0.004 0.000 0.298 267 G HA3 0.456 4.414 3.960 -0.004 0.000 0.298 267 G C -1.252 173.719 174.900 0.119 0.000 1.577 267 G CA -0.280 44.852 45.100 0.053 0.000 0.847 267 G HN 0.811 nan 8.290 nan 0.000 0.598 268 G N -0.846 107.957 108.800 0.005 0.000 2.471 268 G HA2 0.679 4.637 3.960 -0.004 0.000 0.332 268 G HA3 0.679 4.637 3.960 -0.004 0.000 0.332 268 G C 0.114 174.780 174.900 -0.391 0.000 1.176 268 G CA -0.573 44.483 45.100 -0.073 0.000 0.949 268 G HN 1.220 nan 8.290 nan 0.000 0.488 269 V N 1.970 121.497 119.914 -0.645 0.000 2.644 269 V HA -0.011 4.107 4.120 -0.004 0.000 0.305 269 V C -0.856 174.743 176.094 -0.824 0.000 1.053 269 V CA -0.263 61.377 62.300 -1.100 0.000 1.186 269 V CB 1.186 32.595 31.823 -0.690 0.000 0.895 269 V HN 0.650 nan 8.190 nan 0.000 0.490 270 P HA -0.186 nan 4.420 nan 0.000 0.222 270 P C 1.176 178.251 177.300 -0.374 0.000 1.142 270 P CA 1.649 64.329 63.100 -0.700 0.000 0.788 270 P CB 0.037 31.176 31.700 -0.934 0.000 0.767 271 A N -1.098 121.523 122.820 -0.330 0.000 4.219 271 A HA -0.329 3.988 4.320 -0.004 0.000 0.252 271 A C 1.410 178.987 177.584 -0.011 0.000 0.737 271 A CA 1.845 53.807 52.037 -0.125 0.000 1.245 271 A CB -2.717 16.222 19.000 -0.102 0.000 1.105 271 A HN 0.373 nan 8.150 nan 0.000 0.713 272 D N -1.802 118.609 120.400 0.017 0.000 2.413 272 D HA 0.266 4.904 4.640 -0.004 0.000 0.237 272 D C -0.351 176.166 176.300 0.362 0.000 1.171 272 D CA 0.157 54.243 54.000 0.143 0.000 0.839 272 D CB -0.143 40.735 40.800 0.130 0.000 0.950 272 D HN 0.506 nan 8.370 nan 0.000 0.499 273 W N 1.397 122.663 121.300 -0.055 0.000 2.406 273 W HA 0.344 5.002 4.660 -0.003 0.000 0.308 273 W C 0.941 177.433 176.519 -0.044 0.000 0.965 273 W CA -0.908 56.405 57.345 -0.053 0.000 1.589 273 W CB 0.146 29.554 29.460 -0.086 0.000 1.417 273 W HN 0.044 nan 8.180 nan 0.000 0.415 274 Q N 0.436 120.317 119.800 0.133 0.000 2.124 274 Q HA -0.106 4.231 4.340 -0.004 0.000 0.202 274 Q C 0.020 176.050 176.000 0.050 0.000 0.977 274 Q CA 1.130 56.975 55.803 0.070 0.000 0.850 274 Q CB 0.353 29.113 28.738 0.038 0.000 0.901 274 Q HN 0.237 nan 8.270 nan 0.000 0.429 275 D N 0.005 120.421 120.400 0.026 0.000 2.943 275 D HA 0.287 4.925 4.640 -0.004 0.000 0.347 275 D C -0.896 175.404 176.300 -0.000 0.000 1.305 275 D CA -0.053 53.950 54.000 0.005 0.000 0.870 275 D CB 0.513 41.301 40.800 -0.021 0.000 1.081 275 D HN 0.112 nan 8.370 nan 0.000 0.492 276 A N 0.894 123.752 122.820 0.065 0.000 2.520 276 A HA 0.113 4.430 4.320 -0.004 0.000 0.235 276 A C 0.489 178.103 177.584 0.050 0.000 1.065 276 A CA 0.240 52.337 52.037 0.100 0.000 0.764 276 A CB 0.521 19.659 19.000 0.229 0.000 1.002 276 A HN 0.188 nan 8.150 nan 0.000 0.502 277 E N 1.415 121.641 120.200 0.043 0.000 2.113 277 E HA 0.456 4.803 4.350 -0.004 0.000 0.273 277 E C -1.132 175.504 176.600 0.060 0.000 0.924 277 E CA -0.353 56.066 56.400 0.032 0.000 0.764 277 E CB 1.162 30.867 29.700 0.008 0.000 1.104 277 E HN 0.312 nan 8.360 nan 0.000 0.406 278 V N 7.632 127.573 119.914 0.044 0.000 2.372 278 V HA 0.074 4.192 4.120 -0.004 0.000 0.261 278 V C 1.152 177.272 176.094 0.044 0.000 1.055 278 V CA 0.056 62.383 62.300 0.045 0.000 0.930 278 V CB 0.398 32.232 31.823 0.018 0.000 1.031 278 V HN 0.820 nan 8.190 nan 0.000 0.479 279 L N 3.772 125.034 121.223 0.066 0.000 2.270 279 L HA 0.376 4.714 4.340 -0.004 0.000 0.210 279 L C 1.036 177.946 176.870 0.067 0.000 1.104 279 L CA 0.948 55.828 54.840 0.067 0.000 0.804 279 L CB -0.051 42.062 42.059 0.089 0.000 0.937 279 L HN 0.731 nan 8.230 nan 0.000 0.450 280 A N -0.177 122.683 122.820 0.067 0.000 2.606 280 A HA 0.629 4.947 4.320 -0.004 0.000 0.293 280 A C -1.780 175.822 177.584 0.031 0.000 1.082 280 A CA -0.627 51.448 52.037 0.063 0.000 0.685 280 A CB 1.448 20.514 19.000 0.110 0.000 1.284 280 A HN 0.125 nan 8.150 nan 0.000 0.408 281 D N -0.044 120.376 120.400 0.033 0.000 2.623 281 D HA 0.533 5.171 4.640 -0.004 0.000 0.241 281 D C -1.378 174.966 176.300 0.074 0.000 1.241 281 D CA -0.255 53.754 54.000 0.016 0.000 0.788 281 D CB 1.550 42.339 40.800 -0.018 0.000 1.413 281 D HN 0.675 nan 8.370 nan 0.000 0.429 282 H N -1.002 118.030 119.070 -0.064 0.000 2.865 282 H HA 0.545 5.098 4.556 -0.004 0.000 0.362 282 H C -1.563 173.723 175.328 -0.069 0.000 1.114 282 H CA -0.080 55.936 56.048 -0.054 0.000 1.208 282 H CB 2.273 32.006 29.762 -0.048 0.000 1.727 282 H HN 0.319 nan 8.280 nan 0.000 0.534 283 T N 3.591 117.702 114.554 -0.739 0.000 2.792 283 T HA 0.385 4.732 4.350 -0.004 0.000 0.280 283 T C -0.148 174.129 174.700 -0.706 0.000 0.990 283 T CA -0.566 61.202 62.100 -0.555 0.000 0.960 283 T CB 0.885 69.569 68.868 -0.307 0.000 0.939 283 T HN 0.738 nan 8.240 nan 0.000 0.439 284 S N 2.568 118.032 115.700 -0.393 0.000 2.634 284 S HA 0.724 5.191 4.470 -0.004 0.000 0.261 284 S C 0.741 175.272 174.600 -0.114 0.000 1.271 284 S CA -0.776 57.310 58.200 -0.190 0.000 0.985 284 S CB 0.449 63.641 63.200 -0.013 0.000 0.968 284 S HN 0.924 nan 8.310 nan 0.000 0.568 285 A N 0.299 123.090 122.820 -0.048 0.000 2.310 285 A HA 0.367 4.685 4.320 -0.004 0.000 0.260 285 A C 0.404 177.991 177.584 0.006 0.000 1.112 285 A CA -0.467 51.562 52.037 -0.014 0.000 0.804 285 A CB -0.414 18.597 19.000 0.019 0.000 1.081 285 A HN 0.899 nan 8.150 nan 0.000 0.499 286 E N -0.858 119.349 120.200 0.013 0.000 2.374 286 E HA 0.158 4.505 4.350 -0.004 0.000 0.260 286 E C 0.893 177.547 176.600 0.090 0.000 1.101 286 E CA -0.502 55.911 56.400 0.022 0.000 0.907 286 E CB 0.655 30.363 29.700 0.014 0.000 1.014 286 E HN 0.567 nan 8.360 nan 0.000 0.427 287 L N 2.846 124.142 121.223 0.122 0.000 2.081 287 L HA -0.274 4.064 4.340 -0.004 0.000 0.212 287 L C 2.138 179.096 176.870 0.147 0.000 1.080 287 L CA 2.426 57.374 54.840 0.180 0.000 0.754 287 L CB -0.760 41.405 42.059 0.177 0.000 0.893 287 L HN 0.672 nan 8.230 nan 0.000 0.433 288 S N -1.430 114.341 115.700 0.119 0.000 2.383 288 S HA -0.182 4.286 4.470 -0.004 0.000 0.229 288 S C 1.733 176.413 174.600 0.132 0.000 1.030 288 S CA 1.251 59.526 58.200 0.124 0.000 1.002 288 S CB -0.586 62.682 63.200 0.114 0.000 0.829 288 S HN 0.590 nan 8.310 nan 0.000 0.467 289 E N 1.470 121.745 120.200 0.125 0.000 2.122 289 E HA 0.186 4.533 4.350 -0.004 0.000 0.190 289 E C 2.161 178.865 176.600 0.174 0.000 0.977 289 E CA 0.600 57.083 56.400 0.138 0.000 0.820 289 E CB -0.507 29.262 29.700 0.114 0.000 0.770 289 E HN 0.592 nan 8.360 nan 0.000 0.462 290 I N 1.243 121.905 120.570 0.152 0.000 2.454 290 I HA -0.226 3.941 4.170 -0.004 0.000 0.254 290 I C 2.303 178.577 176.117 0.261 0.000 1.156 290 I CA 0.649 62.038 61.300 0.149 0.000 1.433 290 I CB -0.249 37.778 38.000 0.045 0.000 1.082 290 I HN 0.033 nan 8.210 nan 0.000 0.432 291 L N -0.113 121.263 121.223 0.255 0.000 2.127 291 L HA -0.219 4.118 4.340 -0.004 0.000 0.211 291 L C 2.547 179.554 176.870 0.228 0.000 1.089 291 L CA 0.974 55.996 54.840 0.304 0.000 0.757 291 L CB -0.622 41.558 42.059 0.202 0.000 0.899 291 L HN 0.115 nan 8.230 nan 0.000 0.434 292 V N 0.590 120.627 119.914 0.204 0.000 2.220 292 V HA -0.189 3.929 4.120 -0.004 0.000 0.246 292 V C -0.061 176.119 176.094 0.143 0.000 1.049 292 V CA 2.344 64.734 62.300 0.150 0.000 1.003 292 V CB -1.878 30.083 31.823 0.230 0.000 0.634 292 V HN 0.378 nan 8.190 nan 0.000 0.444 293 P HA -0.213 nan 4.420 nan 0.000 0.218 293 P C 1.802 179.348 177.300 0.411 0.000 1.149 293 P CA 1.729 65.088 63.100 0.430 0.000 0.817 293 P CB -0.174 31.972 31.700 0.744 0.000 0.785 294 F N 0.662 120.794 119.950 0.303 0.000 2.026 294 F HA -0.207 4.317 4.527 -0.004 0.000 0.296 294 F C 2.202 178.047 175.800 0.075 0.000 1.133 294 F CA 1.433 59.598 58.000 0.275 0.000 1.188 294 F CB -0.331 38.856 39.000 0.313 0.000 0.968 294 F HN -0.281 nan 8.300 nan 0.000 0.476 295 M N 0.404 119.813 119.600 -0.319 0.000 2.236 295 M HA -0.099 4.378 4.480 -0.004 0.000 0.266 295 M C 1.924 177.992 176.300 -0.386 0.000 1.070 295 M CA 1.171 56.150 55.300 -0.535 0.000 1.137 295 M CB -1.046 31.247 32.600 -0.512 0.000 1.378 295 M HN 0.102 nan 8.290 nan 0.000 0.426 296 K N 0.228 120.381 120.400 -0.412 0.000 2.057 296 K HA -0.084 4.234 4.320 -0.004 0.000 0.207 296 K C 1.601 177.784 176.600 -0.694 0.000 1.049 296 K CA 1.424 57.322 56.287 -0.648 0.000 0.931 296 K CB -0.414 31.476 32.500 -1.017 0.000 0.714 296 K HN 0.311 nan 8.250 nan 0.000 0.440 297 F N 0.357 120.213 119.950 -0.157 0.000 2.695 297 F HA 0.221 4.745 4.527 -0.004 0.000 0.303 297 F C 0.711 176.452 175.800 -0.098 0.000 1.091 297 F CA -0.492 57.426 58.000 -0.137 0.000 1.300 297 F CB -0.062 38.847 39.000 -0.151 0.000 1.071 297 F HN -0.195 nan 8.300 nan 0.000 0.578 298 S N 1.298 116.993 115.700 -0.008 0.000 3.697 298 S HA -0.309 4.158 4.470 -0.004 0.000 0.388 298 S C 0.146 174.808 174.600 0.105 0.000 0.941 298 S CA 0.168 58.357 58.200 -0.018 0.000 1.247 298 S CB -1.983 61.189 63.200 -0.047 0.000 0.904 298 S HN 0.628 nan 8.310 nan 0.000 0.518 299 N N 1.343 120.168 118.700 0.209 0.000 2.399 299 N HA 0.258 4.996 4.740 -0.004 0.000 0.259 299 N C 1.170 176.844 175.510 0.274 0.000 1.160 299 N CA -0.410 52.734 53.050 0.156 0.000 0.946 299 N CB 0.352 38.763 38.487 -0.128 0.000 1.156 299 N HN 0.365 nan 8.380 nan 0.000 0.489 300 N N 2.673 121.495 118.700 0.204 0.000 2.120 300 N HA -0.100 4.638 4.740 -0.004 0.000 0.188 300 N C 1.803 177.479 175.510 0.277 0.000 1.024 300 N CA 1.145 54.342 53.050 0.245 0.000 0.852 300 N CB -0.478 38.106 38.487 0.162 0.000 1.003 300 N HN 0.690 nan 8.380 nan 0.000 0.424 301 G N 0.432 109.367 108.800 0.225 0.000 2.446 301 G HA2 -0.262 3.695 3.960 -0.004 0.000 0.217 301 G HA3 -0.262 3.695 3.960 -0.004 0.000 0.217 301 G C 1.282 176.326 174.900 0.240 0.000 1.168 301 G CA 0.863 46.115 45.100 0.254 0.000 0.771 301 G HN 0.484 nan 8.290 nan 0.000 0.551 302 H N 0.480 119.556 119.070 0.008 0.000 2.352 302 H HA -0.049 4.504 4.556 -0.004 0.000 0.299 302 H C 3.023 178.083 175.328 -0.447 0.000 1.097 302 H CA 0.597 56.483 56.048 -0.270 0.000 1.311 302 H CB 0.091 29.604 29.762 -0.414 0.000 1.377 302 H HN 0.449 nan 8.280 nan 0.000 0.504 303 A N 1.372 124.110 122.820 -0.136 0.000 1.883 303 A HA -0.187 4.131 4.320 -0.004 0.000 0.217 303 A C 2.179 179.837 177.584 0.124 0.000 1.186 303 A CA 1.643 53.691 52.037 0.020 0.000 0.624 303 A CB -0.157 19.104 19.000 0.435 0.000 0.822 303 A HN 0.328 nan 8.150 nan 0.000 0.444 304 E N -0.304 120.038 120.200 0.237 0.000 2.150 304 E HA -0.121 4.226 4.350 -0.004 0.000 0.193 304 E C 2.034 178.633 176.600 -0.002 0.000 0.985 304 E CA 1.084 57.655 56.400 0.285 0.000 0.814 304 E CB -0.477 29.542 29.700 0.532 0.000 0.752 304 E HN 0.736 nan 8.360 nan 0.000 0.466 305 M N 0.141 119.749 119.600 0.014 0.000 2.175 305 M HA -0.073 4.404 4.480 -0.004 0.000 0.264 305 M C 2.370 178.645 176.300 -0.042 0.000 1.063 305 M CA 1.054 56.365 55.300 0.019 0.000 1.119 305 M CB -0.247 32.415 32.600 0.103 0.000 1.377 305 M HN 0.050 nan 8.290 nan 0.000 0.415 306 L N -0.584 120.594 121.223 -0.076 0.000 2.046 306 L HA -0.191 4.147 4.340 -0.004 0.000 0.208 306 L C 2.444 179.299 176.870 -0.024 0.000 1.077 306 L CA 0.894 55.716 54.840 -0.030 0.000 0.747 306 L CB -0.676 41.334 42.059 -0.080 0.000 0.896 306 L HN 0.125 nan 8.230 nan 0.000 0.432 307 V N 0.034 119.924 119.914 -0.040 0.000 2.287 307 V HA -0.317 3.801 4.120 -0.004 0.000 0.248 307 V C 2.456 178.423 176.094 -0.211 0.000 1.053 307 V CA 1.848 64.121 62.300 -0.045 0.000 1.027 307 V CB -0.513 31.352 31.823 0.071 0.000 0.646 307 V HN 0.436 nan 8.190 nan 0.000 0.447 308 K N -0.290 119.817 120.400 -0.488 0.000 2.148 308 K HA -0.091 4.227 4.320 -0.004 0.000 0.204 308 K C 2.385 178.692 176.600 -0.489 0.000 1.050 308 K CA 1.437 57.231 56.287 -0.822 0.000 0.942 308 K CB -0.234 31.183 32.500 -1.806 0.000 0.724 308 K HN 0.357 nan 8.250 nan 0.000 0.446 309 S N 1.319 116.950 115.700 -0.116 0.000 2.402 309 S HA -0.027 4.440 4.470 -0.004 0.000 0.229 309 S C 1.888 176.533 174.600 0.075 0.000 1.021 309 S CA 0.802 59.161 58.200 0.265 0.000 0.974 309 S CB -0.108 63.383 63.200 0.484 0.000 0.800 309 S HN 0.209 nan 8.310 nan 0.000 0.484 310 I N 1.274 121.838 120.570 -0.010 0.000 2.315 310 I HA -0.124 4.044 4.170 -0.004 0.000 0.248 310 I C 2.571 178.655 176.117 -0.055 0.000 1.117 310 I CA 1.055 62.338 61.300 -0.028 0.000 1.404 310 I CB -0.624 37.366 38.000 -0.016 0.000 1.071 310 I HN 0.356 nan 8.210 nan 0.000 0.419 311 G N -0.308 108.427 108.800 -0.108 0.000 2.402 311 G HA2 -0.202 3.756 3.960 -0.004 0.000 0.216 311 G HA3 -0.202 3.756 3.960 -0.004 0.000 0.216 311 G C 1.597 176.412 174.900 -0.141 0.000 1.162 311 G CA 0.183 45.204 45.100 -0.131 0.000 0.777 311 G HN 0.245 nan 8.290 nan 0.000 0.539 312 Q N 0.050 119.749 119.800 -0.168 0.000 2.084 312 Q HA -0.107 4.231 4.340 -0.004 0.000 0.202 312 Q C 2.444 178.385 176.000 -0.097 0.000 0.978 312 Q CA 1.623 57.287 55.803 -0.231 0.000 0.844 312 Q CB -0.183 28.331 28.738 -0.373 0.000 0.898 312 Q HN 0.588 nan 8.270 nan 0.000 0.426 313 E N -0.083 120.107 120.200 -0.016 0.000 2.152 313 E HA -0.103 4.245 4.350 -0.004 0.000 0.192 313 E C 1.695 178.291 176.600 -0.006 0.000 0.983 313 E CA 1.748 58.158 56.400 0.016 0.000 0.818 313 E CB 0.008 29.713 29.700 0.008 0.000 0.758 313 E HN 0.407 nan 8.360 nan 0.000 0.467 314 T N -3.507 111.031 114.554 -0.026 0.000 3.037 314 T HA 0.378 4.726 4.350 -0.004 0.000 0.252 314 T C 1.278 175.960 174.700 -0.030 0.000 1.073 314 T CA 0.385 62.472 62.100 -0.021 0.000 1.091 314 T CB 0.537 69.394 68.868 -0.019 0.000 0.935 314 T HN 0.129 nan 8.240 nan 0.000 0.488 315 A N -0.041 122.747 122.820 -0.052 0.000 2.674 315 A HA 0.702 5.019 4.320 -0.004 0.000 0.274 315 A C 1.522 179.057 177.584 -0.082 0.000 1.065 315 A CA 0.297 52.300 52.037 -0.057 0.000 0.978 315 A CB -0.344 18.622 19.000 -0.057 0.000 1.242 315 A HN 1.226 nan 8.150 nan 0.000 0.583 316 G N -0.656 108.081 108.800 -0.106 0.000 2.203 316 G HA2 0.141 4.099 3.960 -0.004 0.000 0.263 316 G HA3 0.141 4.099 3.960 -0.004 0.000 0.263 316 G C 0.327 175.102 174.900 -0.208 0.000 1.012 316 G CA 0.539 45.547 45.100 -0.154 0.000 0.749 316 G HN 1.982 nan 8.290 nan 0.000 0.512 317 A N -0.304 122.391 122.820 -0.208 0.000 2.375 317 A HA 0.774 5.092 4.320 -0.004 0.000 0.291 317 A C 0.523 177.949 177.584 -0.262 0.000 1.160 317 A CA 0.421 52.331 52.037 -0.211 0.000 0.747 317 A CB 1.305 20.220 19.000 -0.142 0.000 1.170 317 A HN 1.657 nan 8.150 nan 0.000 0.458 318 G N 2.369 110.985 108.800 -0.306 0.000 2.985 318 G HA2 0.478 4.436 3.960 -0.004 0.000 0.282 318 G HA3 0.478 4.436 3.960 -0.004 0.000 0.282 318 G C -0.073 174.562 174.900 -0.442 0.000 0.791 318 G CA 0.203 45.078 45.100 -0.375 0.000 1.934 318 G HN 0.650 nan 8.290 nan 0.000 0.563 319 T N 0.203 114.519 114.554 -0.395 0.000 2.896 319 T HA 0.240 4.587 4.350 -0.004 0.000 0.297 319 T C 0.352 174.882 174.700 -0.283 0.000 1.108 319 T CA -0.711 61.189 62.100 -0.333 0.000 1.004 319 T CB 1.788 70.560 68.868 -0.159 0.000 1.159 319 T HN 0.351 nan 8.240 nan 0.000 0.499 320 W N 1.220 122.412 121.300 -0.180 0.000 2.381 320 W HA -0.067 4.592 4.660 -0.002 0.000 0.301 320 W C 1.455 177.907 176.519 -0.112 0.000 1.205 320 W CA 1.142 58.396 57.345 -0.151 0.000 1.285 320 W CB -0.481 28.889 29.460 -0.150 0.000 1.133 320 W HN 0.754 nan 8.180 nan 0.000 0.521 321 D N -0.088 120.387 120.400 0.124 0.000 2.092 321 D HA -0.148 4.490 4.640 -0.004 0.000 0.193 321 D C 2.269 178.577 176.300 0.013 0.000 0.994 321 D CA 2.208 56.239 54.000 0.052 0.000 0.828 321 D CB -0.865 39.950 40.800 0.025 0.000 0.963 321 D HN 0.008 nan 8.370 nan 0.000 0.450 322 A N 0.521 123.326 122.820 -0.025 0.000 1.930 322 A HA 0.047 4.365 4.320 -0.004 0.000 0.217 322 A C 2.348 179.906 177.584 -0.043 0.000 1.175 322 A CA 1.939 53.949 52.037 -0.045 0.000 0.627 322 A CB -0.970 17.983 19.000 -0.079 0.000 0.815 322 A HN 0.301 nan 8.150 nan 0.000 0.443 323 G N -0.344 108.421 108.800 -0.058 0.000 2.402 323 G HA2 -0.079 3.879 3.960 -0.004 0.000 0.216 323 G HA3 -0.079 3.879 3.960 -0.004 0.000 0.216 323 G C 1.300 176.211 174.900 0.018 0.000 1.162 323 G CA 1.025 46.097 45.100 -0.047 0.000 0.777 323 G HN 0.331 nan 8.290 nan 0.000 0.539 324 L N 0.662 121.917 121.223 0.053 0.000 2.141 324 L HA 0.051 4.389 4.340 -0.004 0.000 0.209 324 L C 3.033 179.922 176.870 0.032 0.000 1.094 324 L CA 0.644 55.520 54.840 0.060 0.000 0.763 324 L CB -0.761 41.337 42.059 0.065 0.000 0.908 324 L HN 0.101 nan 8.230 nan 0.000 0.437 325 V N -0.435 119.490 119.914 0.018 0.000 2.358 325 V HA -0.146 3.972 4.120 -0.004 0.000 0.246 325 V C 2.553 178.655 176.094 0.014 0.000 1.047 325 V CA 1.653 63.959 62.300 0.010 0.000 1.035 325 V CB -1.190 30.634 31.823 0.001 0.000 0.658 325 V HN 0.529 nan 8.190 nan 0.000 0.452 326 G N -0.217 108.589 108.800 0.010 0.000 2.422 326 G HA2 -0.197 3.761 3.960 -0.004 0.000 0.218 326 G HA3 -0.197 3.761 3.960 -0.004 0.000 0.218 326 G C 1.669 176.588 174.900 0.031 0.000 1.146 326 G CA 1.229 46.336 45.100 0.012 0.000 0.769 326 G HN 0.374 nan 8.290 nan 0.000 0.547 327 V N 0.640 120.581 119.914 0.045 0.000 2.295 327 V HA -0.150 3.968 4.120 -0.004 0.000 0.246 327 V C 2.752 178.890 176.094 0.075 0.000 1.049 327 V CA 2.075 64.418 62.300 0.073 0.000 1.024 327 V CB -0.230 31.650 31.823 0.095 0.000 0.648 327 V HN 0.395 nan 8.190 nan 0.000 0.447 328 E N 0.449 120.680 120.200 0.051 0.000 2.077 328 E HA -0.240 4.108 4.350 -0.004 0.000 0.193 328 E C 2.177 178.804 176.600 0.046 0.000 0.989 328 E CA 1.681 58.106 56.400 0.042 0.000 0.800 328 E CB -0.104 29.607 29.700 0.017 0.000 0.746 328 E HN 0.712 nan 8.360 nan 0.000 0.452 329 E N 0.106 120.328 120.200 0.037 0.000 2.106 329 E HA -0.143 4.205 4.350 -0.004 0.000 0.192 329 E C 2.052 178.680 176.600 0.046 0.000 0.984 329 E CA 0.868 57.289 56.400 0.034 0.000 0.806 329 E CB -0.128 29.586 29.700 0.024 0.000 0.750 329 E HN 0.288 nan 8.360 nan 0.000 0.458 330 A N 1.581 124.434 122.820 0.055 0.000 1.902 330 A HA -0.147 4.171 4.320 -0.004 0.000 0.217 330 A C 2.259 179.895 177.584 0.086 0.000 1.181 330 A CA 0.998 53.076 52.037 0.068 0.000 0.623 330 A CB -0.637 18.405 19.000 0.069 0.000 0.818 330 A HN 0.109 nan 8.150 nan 0.000 0.443 331 L N -0.549 120.734 121.223 0.099 0.000 2.017 331 L HA -0.167 4.171 4.340 -0.004 0.000 0.208 331 L C 2.864 179.786 176.870 0.086 0.000 1.073 331 L CA 1.530 56.441 54.840 0.118 0.000 0.745 331 L CB -0.584 41.575 42.059 0.167 0.000 0.894 331 L HN 0.316 nan 8.230 nan 0.000 0.432 332 S N 0.185 115.926 115.700 0.067 0.000 2.368 332 S HA -0.134 4.334 4.470 -0.004 0.000 0.225 332 S C 1.984 176.608 174.600 0.040 0.000 1.030 332 S CA 1.276 59.505 58.200 0.048 0.000 0.999 332 S CB -0.607 62.615 63.200 0.036 0.000 0.844 332 S HN 0.616 nan 8.310 nan 0.000 0.459 333 G N 0.695 109.521 108.800 0.043 0.000 2.509 333 G HA2 -0.100 3.858 3.960 -0.004 0.000 0.218 333 G HA3 -0.100 3.858 3.960 -0.004 0.000 0.218 333 G C 1.162 176.082 174.900 0.033 0.000 1.124 333 G CA 0.344 45.466 45.100 0.036 0.000 0.776 333 G HN 0.418 nan 8.290 nan 0.000 0.547 334 L N 0.143 121.392 121.223 0.044 0.000 2.558 334 L HA 0.385 4.722 4.340 -0.004 0.000 0.225 334 L C 1.883 178.755 176.870 0.005 0.000 1.128 334 L CA 1.144 56.001 54.840 0.028 0.000 0.868 334 L CB 0.060 42.154 42.059 0.060 0.000 1.006 334 L HN 0.343 nan 8.230 nan 0.000 0.454 335 G N -1.183 107.628 108.800 0.017 0.000 2.159 335 G HA2 -0.201 3.757 3.960 -0.004 0.000 0.227 335 G HA3 -0.201 3.757 3.960 -0.004 0.000 0.227 335 G C 0.133 175.048 174.900 0.026 0.000 0.986 335 G CA 0.085 45.193 45.100 0.012 0.000 0.651 335 G HN 0.147 nan 8.290 nan 0.000 0.523 336 V N 1.513 121.454 119.914 0.045 0.000 2.461 336 V HA 0.435 4.552 4.120 -0.004 0.000 0.275 336 V C 0.355 176.489 176.094 0.067 0.000 1.047 336 V CA -0.477 61.864 62.300 0.069 0.000 0.955 336 V CB 1.715 33.606 31.823 0.113 0.000 0.988 336 V HN 0.341 nan 8.190 nan 0.000 0.471 337 D N 3.780 124.217 120.400 0.061 0.000 2.338 337 D HA 0.075 4.712 4.640 -0.004 0.000 0.255 337 D C 1.187 177.519 176.300 0.052 0.000 1.237 337 D CA 0.001 54.029 54.000 0.047 0.000 0.883 337 D CB 1.411 42.234 40.800 0.038 0.000 1.087 337 D HN 0.730 nan 8.370 nan 0.000 0.485 338 T N 0.942 115.519 114.554 0.038 0.000 3.188 338 T HA 0.284 4.632 4.350 -0.004 0.000 0.250 338 T C 1.688 176.385 174.700 -0.005 0.000 1.077 338 T CA 0.209 62.319 62.100 0.017 0.000 0.967 338 T CB 0.238 69.114 68.868 0.013 0.000 1.006 338 T HN 0.258 nan 8.240 nan 0.000 0.552 339 A N 1.859 124.682 122.820 0.004 0.000 1.917 339 A HA 0.159 4.477 4.320 -0.004 0.000 0.219 339 A C 2.362 179.938 177.584 -0.012 0.000 1.182 339 A CA 1.492 53.528 52.037 -0.002 0.000 0.633 339 A CB -1.291 17.712 19.000 0.005 0.000 0.819 339 A HN 0.656 nan 8.150 nan 0.000 0.448 340 G N -1.569 107.224 108.800 -0.012 0.000 3.314 340 G HA2 0.428 4.385 3.960 -0.004 0.000 0.238 340 G HA3 0.428 4.385 3.960 -0.004 0.000 0.238 340 G C 0.140 175.010 174.900 -0.050 0.000 1.184 340 G CA -0.290 44.799 45.100 -0.020 0.000 0.806 340 G HN 0.363 nan 8.290 nan 0.000 0.536 341 L N 1.361 122.537 121.223 -0.077 0.000 2.295 341 L HA 0.567 4.904 4.340 -0.004 0.000 0.285 341 L C -0.927 175.874 176.870 -0.116 0.000 1.035 341 L CA -0.677 54.074 54.840 -0.148 0.000 0.806 341 L CB 2.158 44.084 42.059 -0.221 0.000 1.214 341 L HN -0.184 nan 8.230 nan 0.000 0.426 342 V N 6.233 126.075 119.914 -0.120 0.000 2.407 342 V HA 0.362 4.480 4.120 -0.004 0.000 0.291 342 V C -0.109 175.930 176.094 -0.091 0.000 1.018 342 V CA -0.479 61.772 62.300 -0.082 0.000 0.842 342 V CB 1.751 33.541 31.823 -0.055 0.000 0.996 342 V HN 0.551 nan 8.190 nan 0.000 0.426 343 L N 4.336 125.515 121.223 -0.074 0.000 2.265 343 L HA 0.522 4.860 4.340 -0.004 0.000 0.289 343 L C 0.761 177.607 176.870 -0.040 0.000 1.033 343 L CA -0.171 54.635 54.840 -0.056 0.000 0.814 343 L CB 1.081 43.118 42.059 -0.037 0.000 1.203 343 L HN 0.587 nan 8.230 nan 0.000 0.423 344 N N 0.851 119.526 118.700 -0.042 0.000 2.257 344 N HA 0.024 4.762 4.740 -0.004 0.000 0.200 344 N C -0.710 174.714 175.510 -0.145 0.000 1.163 344 N CA 0.112 53.113 53.050 -0.082 0.000 0.891 344 N CB 0.791 39.237 38.487 -0.068 0.000 1.067 344 N HN 0.825 nan 8.380 nan 0.000 0.497 345 D N -3.363 117.009 120.400 -0.047 0.000 2.713 345 D HA 0.283 4.921 4.640 -0.004 0.000 0.306 345 D C 0.483 176.874 176.300 0.151 0.000 1.299 345 D CA -0.577 53.414 54.000 -0.015 0.000 0.823 345 D CB 0.420 41.218 40.800 -0.004 0.000 1.353 345 D HN -0.102 nan 8.370 nan 0.000 0.447 346 G N -1.208 107.751 108.800 0.265 0.000 2.833 346 G HA2 0.072 4.030 3.960 -0.004 0.000 0.210 346 G HA3 0.072 4.030 3.960 -0.004 0.000 0.210 346 G C 1.064 176.151 174.900 0.310 0.000 1.139 346 G CA 0.728 45.997 45.100 0.280 0.000 0.771 346 G HN 0.587 nan 8.290 nan 0.000 0.535 347 S N -0.671 115.223 115.700 0.324 0.000 2.439 347 S HA 0.348 4.816 4.470 -0.004 0.000 0.224 347 S C 1.944 176.652 174.600 0.181 0.000 1.029 347 S CA 1.271 59.645 58.200 0.291 0.000 0.946 347 S CB -0.017 63.363 63.200 0.300 0.000 0.797 347 S HN 1.404 nan 8.310 nan 0.000 0.504 348 G N 0.880 109.775 108.800 0.159 0.000 2.176 348 G HA2 -0.208 3.750 3.960 -0.004 0.000 0.232 348 G HA3 -0.208 3.750 3.960 -0.004 0.000 0.232 348 G C 0.516 175.424 174.900 0.013 0.000 0.986 348 G CA 0.282 45.430 45.100 0.081 0.000 0.643 348 G HN 0.461 nan 8.290 nan 0.000 0.522 349 L N 0.937 122.162 121.223 0.004 0.000 2.093 349 L HA 0.166 4.504 4.340 -0.004 0.000 0.208 349 L C 1.903 178.709 176.870 -0.106 0.000 1.085 349 L CA 1.636 56.364 54.840 -0.186 0.000 0.755 349 L CB -0.401 41.348 42.059 -0.517 0.000 0.904 349 L HN 0.423 nan 8.230 nan 0.000 0.435 350 S N 0.063 115.864 115.700 0.169 0.000 2.549 350 S HA 0.002 4.470 4.470 -0.004 0.000 0.286 350 S C 1.200 175.843 174.600 0.072 0.000 1.314 350 S CA -0.453 57.883 58.200 0.226 0.000 1.062 350 S CB 0.571 63.917 63.200 0.243 0.000 0.865 350 S HN 0.237 nan 8.310 nan 0.000 0.498 351 R N 3.533 124.073 120.500 0.067 0.000 2.323 351 R HA 0.031 4.369 4.340 -0.004 0.000 0.198 351 R C 1.756 178.084 176.300 0.046 0.000 0.988 351 R CA 0.703 56.824 56.100 0.036 0.000 1.041 351 R CB -0.673 29.675 30.300 0.080 0.000 0.926 351 R HN 0.775 nan 8.270 nan 0.000 0.476 352 G N 0.295 109.124 108.800 0.048 0.000 2.939 352 G HA2 -0.051 3.906 3.960 -0.004 0.000 0.210 352 G HA3 -0.051 3.906 3.960 -0.004 0.000 0.210 352 G C 0.495 175.395 174.900 -0.001 0.000 1.160 352 G CA -0.306 44.807 45.100 0.021 0.000 0.770 352 G HN 0.164 nan 8.290 nan 0.000 0.543 353 N N 0.463 119.164 118.700 0.001 0.000 2.525 353 N HA 0.488 5.226 4.740 -0.004 0.000 0.271 353 N C -0.718 174.775 175.510 -0.029 0.000 1.194 353 N CA 0.243 53.282 53.050 -0.019 0.000 0.964 353 N CB 1.805 40.289 38.487 -0.006 0.000 1.126 353 N HN 0.016 nan 8.380 nan 0.000 0.452 354 L N 0.795 121.984 121.223 -0.056 0.000 2.472 354 L HA 0.570 4.908 4.340 -0.004 0.000 0.260 354 L C -0.334 176.478 176.870 -0.096 0.000 0.963 354 L CA -0.922 53.886 54.840 -0.053 0.000 0.829 354 L CB 2.149 44.184 42.059 -0.040 0.000 1.348 354 L HN 0.303 nan 8.230 nan 0.000 0.408 355 V N -0.950 118.927 119.914 -0.062 0.000 3.181 355 V HA 0.915 5.033 4.120 -0.004 0.000 0.307 355 V C -0.689 175.408 176.094 0.004 0.000 1.310 355 V CA -0.481 61.779 62.300 -0.067 0.000 1.067 355 V CB 2.211 34.027 31.823 -0.012 0.000 1.081 355 V HN 0.839 nan 8.190 nan 0.000 0.453 356 T N -2.170 112.410 114.554 0.043 0.000 2.906 356 T HA 0.786 5.134 4.350 -0.004 0.000 0.295 356 T C 0.843 175.593 174.700 0.085 0.000 1.061 356 T CA -0.034 62.098 62.100 0.053 0.000 1.000 356 T CB 1.673 70.566 68.868 0.041 0.000 1.103 356 T HN 1.893 nan 8.240 nan 0.000 0.486 357 A N 1.231 124.095 122.820 0.073 0.000 1.978 357 A HA -0.054 4.264 4.320 -0.004 0.000 0.220 357 A C 1.880 179.509 177.584 0.076 0.000 1.170 357 A CA 1.692 53.774 52.037 0.075 0.000 0.636 357 A CB -0.914 18.130 19.000 0.073 0.000 0.810 357 A HN 0.891 nan 8.150 nan 0.000 0.448 358 D N -0.608 119.835 120.400 0.072 0.000 2.144 358 D HA -0.081 4.557 4.640 -0.004 0.000 0.200 358 D C 1.979 178.330 176.300 0.086 0.000 0.978 358 D CA 1.802 55.843 54.000 0.068 0.000 0.833 358 D CB -0.488 40.344 40.800 0.054 0.000 0.961 358 D HN 0.411 nan 8.370 nan 0.000 0.470 359 T N 0.445 115.069 114.554 0.115 0.000 2.821 359 T HA -0.071 4.277 4.350 -0.004 0.000 0.267 359 T C 2.258 177.103 174.700 0.242 0.000 1.046 359 T CA 0.567 62.774 62.100 0.179 0.000 1.139 359 T CB -0.190 68.789 68.868 0.186 0.000 0.871 359 T HN -0.025 nan 8.240 nan 0.000 0.454 360 V N 1.242 121.288 119.914 0.219 0.000 2.295 360 V HA -0.134 3.983 4.120 -0.004 0.000 0.246 360 V C 2.676 178.754 176.094 -0.027 0.000 1.049 360 V CA 1.283 63.636 62.300 0.088 0.000 1.024 360 V CB -0.723 31.132 31.823 0.053 0.000 0.648 360 V HN 0.305 nan 8.190 nan 0.000 0.447 361 V N 0.395 120.310 119.914 0.002 0.000 2.407 361 V HA -0.265 3.852 4.120 -0.004 0.000 0.248 361 V C 2.402 178.508 176.094 0.020 0.000 1.055 361 V CA 2.245 64.541 62.300 -0.008 0.000 1.049 361 V CB -0.672 31.169 31.823 0.029 0.000 0.662 361 V HN 0.608 nan 8.190 nan 0.000 0.455 362 D N 0.177 120.604 120.400 0.044 0.000 2.092 362 D HA -0.189 4.448 4.640 -0.004 0.000 0.193 362 D C 2.043 178.361 176.300 0.030 0.000 0.994 362 D CA 1.628 55.657 54.000 0.049 0.000 0.828 362 D CB -0.246 40.598 40.800 0.072 0.000 0.963 362 D HN 0.296 nan 8.370 nan 0.000 0.450 363 L N 0.575 121.807 121.223 0.015 0.000 2.012 363 L HA -0.129 4.209 4.340 -0.004 0.000 0.210 363 L C 2.396 179.240 176.870 -0.044 0.000 1.073 363 L CA 1.541 56.349 54.840 -0.053 0.000 0.748 363 L CB -0.820 41.108 42.059 -0.219 0.000 0.891 363 L HN 0.154 nan 8.230 nan 0.000 0.431 364 L N -0.627 120.592 121.223 -0.007 0.000 2.079 364 L HA -0.174 4.164 4.340 -0.004 0.000 0.210 364 L C 2.492 179.496 176.870 0.222 0.000 1.081 364 L CA 1.354 56.259 54.840 0.108 0.000 0.752 364 L CB -1.360 40.622 42.059 -0.128 0.000 0.896 364 L HN 0.510 nan 8.230 nan 0.000 0.433 365 G N -1.307 107.560 108.800 0.111 0.000 2.404 365 G HA2 -0.204 3.753 3.960 -0.004 0.000 0.215 365 G HA3 -0.204 3.753 3.960 -0.004 0.000 0.215 365 G C 1.500 176.406 174.900 0.009 0.000 1.174 365 G CA 0.114 45.269 45.100 0.091 0.000 0.780 365 G HN 0.243 nan 8.290 nan 0.000 0.537 366 Q N 0.583 120.363 119.800 -0.034 0.000 2.079 366 Q HA 0.009 4.347 4.340 -0.004 0.000 0.200 366 Q C 2.943 178.804 176.000 -0.230 0.000 0.974 366 Q CA 1.405 57.145 55.803 -0.104 0.000 0.840 366 Q CB -0.692 28.002 28.738 -0.074 0.000 0.898 366 Q HN 0.442 nan 8.270 nan 0.000 0.430 367 A N 0.785 123.451 122.820 -0.256 0.000 1.930 367 A HA -0.043 4.274 4.320 -0.004 0.000 0.217 367 A C 2.311 179.613 177.584 -0.471 0.000 1.175 367 A CA 1.591 53.312 52.037 -0.527 0.000 0.627 367 A CB -0.949 17.568 19.000 -0.804 0.000 0.815 367 A HN 0.442 nan 8.150 nan 0.000 0.443 368 G N -0.355 108.359 108.800 -0.144 0.000 2.509 368 G HA2 -0.060 3.898 3.960 -0.004 0.000 0.218 368 G HA3 -0.060 3.898 3.960 -0.004 0.000 0.218 368 G C 1.577 176.366 174.900 -0.185 0.000 1.124 368 G CA 1.493 46.527 45.100 -0.109 0.000 0.776 368 G HN 0.873 nan 8.290 nan 0.000 0.547 369 S N -0.808 114.749 115.700 -0.239 0.000 2.540 369 S HA 0.648 5.116 4.470 -0.004 0.000 0.218 369 S C 1.156 175.550 174.600 -0.342 0.000 0.977 369 S CA 0.382 58.446 58.200 -0.228 0.000 0.918 369 S CB 0.415 63.520 63.200 -0.158 0.000 0.806 369 S HN 0.484 nan 8.310 nan 0.000 0.496 370 A N 3.130 125.592 122.820 -0.595 0.000 2.313 370 A HA 0.579 4.897 4.320 -0.004 0.000 0.261 370 A C -0.784 176.389 177.584 -0.684 0.000 1.090 370 A CA -1.468 50.060 52.037 -0.849 0.000 0.807 370 A CB 0.087 18.019 19.000 -1.781 0.000 1.055 370 A HN 0.295 nan 8.150 nan 0.000 0.492 371 P HA -0.101 nan 4.420 nan 0.000 0.222 371 P C 0.676 177.908 177.300 -0.113 0.000 1.147 371 P CA 1.275 64.222 63.100 -0.255 0.000 0.790 371 P CB -0.049 31.571 31.700 -0.134 0.000 0.780 372 W N -1.890 119.414 121.300 0.007 0.000 3.223 372 W HA 0.650 5.308 4.660 -0.004 0.000 0.389 372 W C 1.058 177.629 176.519 0.088 0.000 1.118 372 W CA -0.091 57.284 57.345 0.051 0.000 1.902 372 W CB -1.029 28.469 29.460 0.064 0.000 1.094 372 W HN -0.138 nan 8.180 nan 0.000 0.666 373 A N 1.740 124.621 122.820 0.101 0.000 1.917 373 A HA -0.282 4.036 4.320 -0.004 0.000 0.219 373 A C 2.234 180.015 177.584 0.328 0.000 1.182 373 A CA 1.790 53.928 52.037 0.168 0.000 0.633 373 A CB -0.524 18.434 19.000 -0.069 0.000 0.819 373 A HN 0.217 nan 8.150 nan 0.000 0.448 374 Q N -1.221 118.708 119.800 0.214 0.000 2.079 374 Q HA -0.114 4.224 4.340 -0.004 0.000 0.200 374 Q C 2.299 178.427 176.000 0.213 0.000 0.974 374 Q CA 1.960 57.866 55.803 0.173 0.000 0.840 374 Q CB -1.158 27.644 28.738 0.107 0.000 0.898 374 Q HN 0.691 nan 8.270 nan 0.000 0.430 375 T N 0.519 115.233 114.554 0.267 0.000 2.915 375 T HA -0.115 4.233 4.350 -0.004 0.000 0.269 375 T C 1.293 176.160 174.700 0.277 0.000 1.071 375 T CA 1.025 63.267 62.100 0.236 0.000 1.132 375 T CB -0.177 68.830 68.868 0.232 0.000 0.878 375 T HN 0.538 nan 8.240 nan 0.000 0.479 376 W N 2.023 123.445 121.300 0.204 0.000 2.408 376 W HA -0.109 4.548 4.660 -0.005 0.000 0.311 376 W C 2.343 178.949 176.519 0.144 0.000 1.190 376 W CA 1.796 59.252 57.345 0.186 0.000 1.321 376 W CB -0.992 28.709 29.460 0.403 0.000 1.143 376 W HN 0.448 nan 8.180 nan 0.000 0.501 377 S N 1.397 117.180 115.700 0.139 0.000 2.423 377 S HA -0.070 4.397 4.470 -0.004 0.000 0.231 377 S C 2.090 176.653 174.600 -0.062 0.000 1.014 377 S CA 1.298 59.468 58.200 -0.049 0.000 0.965 377 S CB -0.896 62.343 63.200 0.064 0.000 0.785 377 S HN 0.298 nan 8.310 nan 0.000 0.495 378 A N 2.122 124.945 122.820 0.006 0.000 2.015 378 A HA 0.025 4.342 4.320 -0.004 0.000 0.219 378 A C 2.438 179.996 177.584 -0.044 0.000 1.163 378 A CA 1.582 53.620 52.037 0.002 0.000 0.646 378 A CB -1.014 18.015 19.000 0.050 0.000 0.806 378 A HN 0.818 nan 8.150 nan 0.000 0.448 379 S N -0.493 115.154 115.700 -0.088 0.000 2.489 379 S HA 0.164 4.632 4.470 -0.004 0.000 0.228 379 S C 0.659 175.120 174.600 -0.232 0.000 0.995 379 S CA -0.139 57.982 58.200 -0.131 0.000 0.934 379 S CB -0.643 62.479 63.200 -0.130 0.000 0.771 379 S HN 0.386 nan 8.310 nan 0.000 0.522 380 L N 2.327 123.391 121.223 -0.266 0.000 2.416 380 L HA 0.352 4.690 4.340 -0.004 0.000 0.272 380 L C -2.432 174.316 176.870 -0.202 0.000 1.161 380 L CA -2.223 52.450 54.840 -0.279 0.000 0.845 380 L CB -0.003 41.890 42.059 -0.277 0.000 1.119 380 L HN -0.017 nan 8.230 nan 0.000 0.464 381 P HA -0.021 nan 4.420 nan 0.000 0.264 381 P C -0.794 176.438 177.300 -0.112 0.000 1.183 381 P CA 0.037 63.028 63.100 -0.182 0.000 0.763 381 P CB 0.593 32.183 31.700 -0.183 0.000 0.807 382 V N 3.366 123.228 119.914 -0.086 0.000 2.398 382 V HA 0.448 4.566 4.120 -0.004 0.000 0.286 382 V C 0.564 176.633 176.094 -0.043 0.000 1.026 382 V CA -0.975 61.296 62.300 -0.049 0.000 0.868 382 V CB 0.982 32.784 31.823 -0.034 0.000 0.982 382 V HN 0.657 nan 8.190 nan 0.000 0.443 383 A N 3.949 126.749 122.820 -0.034 0.000 2.567 383 A HA 0.461 4.779 4.320 -0.004 0.000 0.240 383 A C 1.583 179.148 177.584 -0.032 0.000 1.053 383 A CA 0.732 52.749 52.037 -0.033 0.000 0.755 383 A CB -0.535 18.445 19.000 -0.033 0.000 0.978 383 A HN 2.252 nan 8.150 nan 0.000 0.507 384 G N 1.392 110.176 108.800 -0.027 0.000 2.166 384 G HA2 -0.210 3.748 3.960 -0.004 0.000 0.260 384 G HA3 -0.210 3.748 3.960 -0.004 0.000 0.260 384 G C 0.032 174.925 174.900 -0.011 0.000 0.986 384 G CA 0.545 45.633 45.100 -0.020 0.000 0.683 384 G HN 0.843 nan 8.290 nan 0.000 0.527 385 E N 0.573 120.767 120.200 -0.010 0.000 2.194 385 E HA 0.435 4.783 4.350 -0.004 0.000 0.284 385 E C 1.220 177.829 176.600 0.016 0.000 1.035 385 E CA 0.111 56.513 56.400 0.002 0.000 0.836 385 E CB 1.279 30.980 29.700 0.001 0.000 1.070 385 E HN 0.152 nan 8.360 nan 0.000 0.401 386 S N 1.855 117.570 115.700 0.024 0.000 2.382 386 S HA -0.147 4.320 4.470 -0.004 0.000 0.228 386 S C 0.798 175.435 174.600 0.061 0.000 1.027 386 S CA 0.763 58.984 58.200 0.036 0.000 0.991 386 S CB 0.007 63.226 63.200 0.032 0.000 0.823 386 S HN 0.518 nan 8.310 nan 0.000 0.469 387 D N 1.821 122.263 120.400 0.071 0.000 2.412 387 D HA 0.066 4.704 4.640 -0.004 0.000 0.257 387 D C -1.833 174.558 176.300 0.151 0.000 1.217 387 D CA -1.857 52.213 54.000 0.117 0.000 0.897 387 D CB 1.101 41.969 40.800 0.113 0.000 1.132 387 D HN 0.008 nan 8.370 nan 0.000 0.493 388 P HA -0.140 nan 4.420 nan 0.000 0.216 388 P C 0.966 178.369 177.300 0.172 0.000 1.150 388 P CA 1.004 64.259 63.100 0.258 0.000 0.843 388 P CB -0.009 31.890 31.700 0.331 0.000 0.787 389 F N -1.991 118.062 119.950 0.171 0.000 2.802 389 F HA -0.038 4.487 4.527 -0.004 0.000 0.300 389 F C 1.876 177.635 175.800 -0.068 0.000 1.168 389 F CA 0.657 58.685 58.000 0.047 0.000 1.433 389 F CB -0.350 38.725 39.000 0.126 0.000 1.115 389 F HN -0.209 nan 8.300 nan 0.000 0.582 390 V N -1.850 118.106 119.914 0.070 0.000 2.854 390 V HA 0.169 4.287 4.120 -0.004 0.000 0.236 390 V C 2.410 178.467 176.094 -0.061 0.000 1.157 390 V CA 1.204 63.510 62.300 0.009 0.000 1.187 390 V CB -0.707 31.142 31.823 0.043 0.000 0.949 390 V HN 0.223 nan 8.190 nan 0.000 0.488 391 G N -0.357 108.417 108.800 -0.043 0.000 2.421 391 G HA2 0.301 4.259 3.960 -0.004 0.000 0.217 391 G HA3 0.301 4.259 3.960 -0.004 0.000 0.217 391 G C 1.158 175.983 174.900 -0.125 0.000 1.143 391 G CA 1.143 46.206 45.100 -0.061 0.000 0.784 391 G HN 0.891 nan 8.290 nan 0.000 0.541 392 G N 0.011 108.685 108.800 -0.210 0.000 2.596 392 G HA2 -0.342 3.616 3.960 -0.004 0.000 0.295 392 G HA3 -0.342 3.616 3.960 -0.004 0.000 0.295 392 G C 1.341 176.175 174.900 -0.111 0.000 1.240 392 G CA 2.073 46.962 45.100 -0.352 0.000 0.985 392 G HN 1.192 nan 8.290 nan 0.000 0.555 393 T N -0.484 114.002 114.554 -0.114 0.000 3.163 393 T HA 0.356 4.704 4.350 -0.004 0.000 0.260 393 T C 1.863 176.532 174.700 -0.052 0.000 1.156 393 T CA 1.501 63.573 62.100 -0.048 0.000 1.072 393 T CB -0.012 68.820 68.868 -0.061 0.000 0.937 393 T HN 0.528 nan 8.240 nan 0.000 0.528 394 L N -0.259 120.926 121.223 -0.064 0.000 2.808 394 L HA 0.494 4.832 4.340 -0.004 0.000 0.246 394 L C 2.580 179.429 176.870 -0.034 0.000 1.153 394 L CA 0.013 54.824 54.840 -0.049 0.000 0.956 394 L CB -0.214 41.813 42.059 -0.054 0.000 1.270 394 L HN 0.274 nan 8.230 nan 0.000 0.528 395 A N 0.664 123.469 122.820 -0.024 0.000 1.986 395 A HA -0.169 4.149 4.320 -0.004 0.000 0.220 395 A C 1.521 179.103 177.584 -0.003 0.000 1.171 395 A CA 1.603 53.637 52.037 -0.005 0.000 0.640 395 A CB -0.267 18.745 19.000 0.020 0.000 0.811 395 A HN 0.468 nan 8.150 nan 0.000 0.451 396 N N -0.320 118.376 118.700 -0.007 0.000 2.273 396 N HA 0.164 4.902 4.740 -0.004 0.000 0.231 396 N C -0.415 175.085 175.510 -0.017 0.000 1.134 396 N CA 0.102 53.147 53.050 -0.009 0.000 0.856 396 N CB 0.528 39.011 38.487 -0.007 0.000 1.068 396 N HN 0.457 nan 8.380 nan 0.000 0.510 397 R N -0.127 120.360 120.500 -0.022 0.000 2.686 397 R HA 0.437 4.775 4.340 -0.004 0.000 0.286 397 R C 0.521 176.803 176.300 -0.029 0.000 0.969 397 R CA -0.571 55.512 56.100 -0.028 0.000 0.898 397 R CB 1.684 31.964 30.300 -0.032 0.000 1.183 397 R HN -0.011 nan 8.270 nan 0.000 0.456 398 M N 0.107 119.687 119.600 -0.032 0.000 2.856 398 M HA -0.278 4.200 4.480 -0.004 0.000 0.189 398 M C -0.425 175.857 176.300 -0.030 0.000 0.612 398 M CA 1.093 56.372 55.300 -0.036 0.000 0.673 398 M CB -1.297 31.276 32.600 -0.044 0.000 2.440 398 M HN 0.558 nan 8.290 nan 0.000 0.437 399 R N 0.895 121.382 120.500 -0.023 0.000 2.570 399 R HA 0.289 4.627 4.340 -0.004 0.000 0.277 399 R C 1.413 177.703 176.300 -0.015 0.000 1.039 399 R CA 1.084 57.174 56.100 -0.017 0.000 1.065 399 R CB 0.286 30.579 30.300 -0.011 0.000 0.964 399 R HN 0.539 nan 8.270 nan 0.000 0.428 400 G N 1.594 110.386 108.800 -0.013 0.000 2.148 400 G HA2 -0.304 3.653 3.960 -0.004 0.000 0.254 400 G HA3 -0.304 3.653 3.960 -0.004 0.000 0.254 400 G C 0.254 175.147 174.900 -0.011 0.000 0.981 400 G CA 0.633 45.728 45.100 -0.009 0.000 0.670 400 G HN 0.743 nan 8.290 nan 0.000 0.528 401 T N -3.788 110.756 114.554 -0.018 0.000 2.938 401 T HA 0.800 5.148 4.350 -0.004 0.000 0.285 401 T C 1.575 176.262 174.700 -0.020 0.000 1.028 401 T CA 0.354 62.442 62.100 -0.020 0.000 1.005 401 T CB 1.682 70.531 68.868 -0.031 0.000 1.157 401 T HN 1.336 nan 8.240 nan 0.000 0.550 402 A N -0.024 122.789 122.820 -0.013 0.000 2.125 402 A HA 0.300 4.618 4.320 -0.004 0.000 0.219 402 A C 2.342 179.884 177.584 -0.070 0.000 1.156 402 A CA 1.472 53.509 52.037 0.000 0.000 0.671 402 A CB -1.350 17.674 19.000 0.040 0.000 0.794 402 A HN 1.192 nan 8.150 nan 0.000 0.459 403 A N -0.432 122.340 122.820 -0.080 0.000 2.072 403 A HA 0.102 4.420 4.320 -0.004 0.000 0.216 403 A C 1.051 178.571 177.584 -0.106 0.000 1.156 403 A CA 0.442 52.410 52.037 -0.114 0.000 0.701 403 A CB -0.293 18.652 19.000 -0.091 0.000 0.816 403 A HN 0.600 nan 8.150 nan 0.000 0.458 404 E N 0.136 120.291 120.200 -0.074 0.000 2.493 404 E HA 0.255 4.602 4.350 -0.004 0.000 0.255 404 E C 1.071 177.633 176.600 -0.063 0.000 0.999 404 E CA 0.575 56.943 56.400 -0.054 0.000 0.934 404 E CB -0.198 29.483 29.700 -0.032 0.000 0.940 404 E HN 0.720 nan 8.360 nan 0.000 0.473 405 G N 2.678 111.447 108.800 -0.052 0.000 2.155 405 G HA2 -0.269 3.689 3.960 -0.004 0.000 0.257 405 G HA3 -0.269 3.689 3.960 -0.004 0.000 0.257 405 G C 0.498 175.356 174.900 -0.071 0.000 0.983 405 G CA 0.324 45.398 45.100 -0.043 0.000 0.676 405 G HN 0.470 nan 8.290 nan 0.000 0.528 406 V N -0.879 118.965 119.914 -0.117 0.000 3.054 406 V HA 0.226 4.344 4.120 -0.004 0.000 0.227 406 V C 1.666 177.722 176.094 -0.063 0.000 1.252 406 V CA 0.726 62.923 62.300 -0.171 0.000 1.279 406 V CB 0.225 31.767 31.823 -0.468 0.000 1.118 406 V HN 0.205 nan 8.190 nan 0.000 0.504 407 V N 2.780 122.665 119.914 -0.048 0.000 2.493 407 V HA 0.064 4.182 4.120 -0.004 0.000 0.292 407 V C 0.008 176.140 176.094 0.062 0.000 1.016 407 V CA 0.457 62.785 62.300 0.047 0.000 1.097 407 V CB -0.070 31.774 31.823 0.035 0.000 0.947 407 V HN 0.542 nan 8.190 nan 0.000 0.479 408 E N 4.220 124.489 120.200 0.115 0.000 2.102 408 E HA 0.710 5.058 4.350 -0.004 0.000 0.263 408 E C -0.263 176.343 176.600 0.010 0.000 0.894 408 E CA -0.253 56.182 56.400 0.058 0.000 0.746 408 E CB 1.712 31.479 29.700 0.112 0.000 1.129 408 E HN 0.816 nan 8.360 nan 0.000 0.416 409 A N 2.950 125.732 122.820 -0.064 0.000 2.572 409 A HA 0.588 4.906 4.320 -0.004 0.000 0.295 409 A C -1.265 176.204 177.584 -0.191 0.000 1.072 409 A CA -0.912 51.031 52.037 -0.155 0.000 0.691 409 A CB 1.610 20.590 19.000 -0.033 0.000 1.291 409 A HN 0.365 nan 8.150 nan 0.000 0.404 410 K N 0.861 121.110 120.400 -0.252 0.000 2.172 410 K HA 0.629 4.946 4.320 -0.004 0.000 0.276 410 K C 0.507 177.008 176.600 -0.164 0.000 1.013 410 K CA 0.421 56.569 56.287 -0.233 0.000 0.913 410 K CB 0.886 33.223 32.500 -0.272 0.000 1.055 410 K HN 0.910 nan 8.250 nan 0.000 0.461 411 T N -0.259 114.213 114.554 -0.138 0.000 2.880 411 T HA 0.811 5.158 4.350 -0.004 0.000 0.279 411 T C 0.161 174.807 174.700 -0.091 0.000 0.990 411 T CA -0.572 61.468 62.100 -0.099 0.000 0.938 411 T CB 1.346 70.161 68.868 -0.088 0.000 1.206 411 T HN 0.665 nan 8.240 nan 0.000 0.573 412 G N 0.153 108.907 108.800 -0.077 0.000 1.788 412 G HA2 0.451 4.409 3.960 -0.004 0.000 0.267 412 G HA3 0.451 4.409 3.960 -0.004 0.000 0.267 412 G C -0.915 173.943 174.900 -0.069 0.000 1.786 412 G CA -0.718 44.338 45.100 -0.074 0.000 0.915 412 G HN 0.819 nan 8.290 nan 0.000 0.625 413 T N 2.746 117.244 114.554 -0.093 0.000 2.916 413 T HA 0.824 5.172 4.350 -0.004 0.000 0.298 413 T C 0.077 174.696 174.700 -0.135 0.000 1.031 413 T CA -0.418 61.631 62.100 -0.085 0.000 0.993 413 T CB 1.755 70.578 68.868 -0.075 0.000 1.045 413 T HN 0.567 nan 8.240 nan 0.000 0.454 414 M N 0.491 120.020 119.600 -0.118 0.000 2.843 414 M HA 0.420 4.897 4.480 -0.004 0.000 0.273 414 M C -0.327 175.893 176.300 -0.133 0.000 1.286 414 M CA -0.988 54.202 55.300 -0.185 0.000 0.807 414 M CB 2.174 34.634 32.600 -0.233 0.000 1.684 414 M HN 0.408 nan 8.290 nan 0.000 0.458 415 S N 0.933 116.527 115.700 -0.177 0.000 2.544 415 S HA 0.272 4.740 4.470 -0.004 0.000 0.290 415 S C 0.920 175.423 174.600 -0.161 0.000 1.276 415 S CA 1.207 59.325 58.200 -0.137 0.000 1.075 415 S CB 0.080 63.199 63.200 -0.136 0.000 0.849 415 S HN 1.037 nan 8.310 nan 0.000 0.494 416 G N 2.096 110.754 108.800 -0.238 0.000 2.166 416 G HA2 -0.235 3.722 3.960 -0.004 0.000 0.260 416 G HA3 -0.235 3.722 3.960 -0.004 0.000 0.260 416 G C -0.003 174.675 174.900 -0.370 0.000 0.986 416 G CA 0.322 45.115 45.100 -0.512 0.000 0.683 416 G HN 0.785 nan 8.290 nan 0.000 0.527 417 V N -0.445 119.438 119.914 -0.052 0.000 2.686 417 V HA 0.831 4.949 4.120 -0.004 0.000 0.306 417 V C -0.170 176.012 176.094 0.146 0.000 1.065 417 V CA -0.054 62.297 62.300 0.086 0.000 0.894 417 V CB 2.072 33.882 31.823 -0.022 0.000 1.004 417 V HN 0.655 nan 8.190 nan 0.000 0.424 418 S N 2.452 118.237 115.700 0.142 0.000 2.533 418 S HA 0.920 5.388 4.470 -0.004 0.000 0.271 418 S C -1.017 173.584 174.600 0.001 0.000 1.143 418 S CA 0.265 58.477 58.200 0.021 0.000 0.891 418 S CB 1.778 64.934 63.200 -0.074 0.000 1.105 418 S HN 1.504 nan 8.310 nan 0.000 0.468 419 A N 2.501 125.310 122.820 -0.019 0.000 2.572 419 A HA 0.878 5.195 4.320 -0.004 0.000 0.295 419 A C -2.015 175.554 177.584 -0.026 0.000 1.072 419 A CA -0.562 51.467 52.037 -0.013 0.000 0.691 419 A CB 1.727 20.724 19.000 -0.006 0.000 1.291 419 A HN 1.072 nan 8.150 nan 0.000 0.404 420 L N 1.071 122.289 121.223 -0.009 0.000 2.541 420 L HA 0.736 5.074 4.340 -0.004 0.000 0.266 420 L C -0.981 175.838 176.870 -0.085 0.000 0.966 420 L CA 0.374 55.215 54.840 0.001 0.000 0.871 420 L CB 1.953 44.076 42.059 0.107 0.000 1.232 420 L HN 0.645 nan 8.230 nan 0.000 0.408 421 S N 2.598 118.107 115.700 -0.319 0.000 2.541 421 S HA 1.019 5.487 4.470 -0.004 0.000 0.280 421 S C -0.182 173.905 174.600 -0.856 0.000 1.112 421 S CA -0.084 57.693 58.200 -0.704 0.000 0.925 421 S CB 1.885 64.839 63.200 -0.411 0.000 1.067 421 S HN 1.112 nan 8.310 nan 0.000 0.479 422 G N 1.166 109.151 108.800 -1.359 0.000 2.441 422 G HA2 0.457 4.415 3.960 -0.004 0.000 0.225 422 G HA3 0.457 4.415 3.960 -0.004 0.000 0.225 422 G C -2.412 172.004 174.900 -0.806 0.000 1.200 422 G CA -0.519 44.028 45.100 -0.921 0.000 0.947 422 G HN 0.478 nan 8.290 nan 0.000 0.484 423 Y N -1.171 119.141 120.300 0.021 0.000 2.562 423 Y HA 0.678 5.226 4.550 -0.003 0.000 0.343 423 Y C 0.039 176.097 175.900 0.262 0.000 1.025 423 Y CA -0.949 57.254 58.100 0.172 0.000 1.082 423 Y CB 2.712 41.236 38.460 0.108 0.000 1.264 423 Y HN 0.303 nan 8.280 nan 0.000 0.478 424 V N 3.548 123.707 119.914 0.408 0.000 2.465 424 V HA 0.274 4.391 4.120 -0.004 0.000 0.263 424 V C -2.595 173.634 176.094 0.225 0.000 0.981 424 V CA -1.590 60.858 62.300 0.246 0.000 0.838 424 V CB 0.833 32.755 31.823 0.166 0.000 1.068 424 V HN 0.536 nan 8.190 nan 0.000 0.458 425 P HA 0.584 nan 4.420 nan 0.000 0.278 425 P C 0.061 177.529 177.300 0.280 0.000 1.238 425 P CA 0.391 63.600 63.100 0.182 0.000 0.794 425 P CB 2.354 34.128 31.700 0.123 0.000 0.955 426 G N 2.255 111.168 108.800 0.188 0.000 2.466 426 G HA2 0.345 4.302 3.960 -0.004 0.000 0.291 426 G HA3 0.345 4.302 3.960 -0.004 0.000 0.291 426 G C -2.556 172.333 174.900 -0.018 0.000 1.460 426 G CA -0.829 44.331 45.100 0.100 0.000 0.791 426 G HN 0.164 nan 8.290 nan 0.000 0.505 427 P HA -0.035 nan 4.420 nan 0.000 0.222 427 P C 0.647 177.904 177.300 -0.073 0.000 1.147 427 P CA 0.997 64.046 63.100 -0.084 0.000 0.790 427 P CB 0.426 32.057 31.700 -0.116 0.000 0.780 428 E N 0.236 120.380 120.200 -0.092 0.000 2.403 428 E HA 0.320 4.668 4.350 -0.004 0.000 0.187 428 E C 1.008 177.581 176.600 -0.045 0.000 1.073 428 E CA 0.130 56.465 56.400 -0.107 0.000 0.888 428 E CB -0.351 29.225 29.700 -0.207 0.000 1.035 428 E HN 0.291 nan 8.360 nan 0.000 0.471 429 G N 1.797 110.600 108.800 0.005 0.000 2.742 429 G HA2 -0.138 3.819 3.960 -0.004 0.000 0.686 429 G HA3 -0.138 3.819 3.960 -0.004 0.000 0.686 429 G C -0.955 174.003 174.900 0.097 0.000 1.220 429 G CA -0.921 44.211 45.100 0.053 0.000 0.783 429 G HN 0.074 nan 8.290 nan 0.000 0.646 430 E N 0.618 120.878 120.200 0.099 0.000 2.180 430 E HA 0.557 4.905 4.350 -0.004 0.000 0.283 430 E C -0.037 176.670 176.600 0.179 0.000 1.061 430 E CA -0.482 55.995 56.400 0.128 0.000 0.861 430 E CB 0.658 30.410 29.700 0.087 0.000 1.056 430 E HN 0.461 nan 8.360 nan 0.000 0.407 431 L N 3.522 124.883 121.223 0.230 0.000 2.334 431 L HA 0.746 5.083 4.340 -0.004 0.000 0.275 431 L C -0.281 176.797 176.870 0.346 0.000 1.036 431 L CA -0.599 54.397 54.840 0.261 0.000 0.807 431 L CB 1.628 43.833 42.059 0.244 0.000 1.231 431 L HN 0.696 nan 8.230 nan 0.000 0.438 432 A N 2.961 125.958 122.820 0.295 0.000 2.371 432 A HA 0.873 5.190 4.320 -0.004 0.000 0.311 432 A C -1.177 176.531 177.584 0.206 0.000 1.068 432 A CA -0.398 51.761 52.037 0.204 0.000 0.744 432 A CB 1.052 20.148 19.000 0.160 0.000 1.239 432 A HN 0.581 nan 8.150 nan 0.000 0.435 433 F N 0.006 119.923 119.950 -0.055 0.000 2.662 433 F HA 0.872 5.396 4.527 -0.004 0.000 0.312 433 F C -0.567 175.196 175.800 -0.063 0.000 1.113 433 F CA -0.774 57.203 58.000 -0.039 0.000 0.951 433 F CB 1.578 40.556 39.000 -0.036 0.000 1.344 433 F HN 0.588 nan 8.300 nan 0.000 0.462 434 S N 1.987 117.696 115.700 0.014 0.000 2.614 434 S HA 0.763 5.230 4.470 -0.004 0.000 0.275 434 S C -1.604 173.057 174.600 0.102 0.000 1.161 434 S CA -0.512 57.647 58.200 -0.068 0.000 0.969 434 S CB 0.939 64.104 63.200 -0.058 0.000 1.059 434 S HN 0.695 nan 8.310 nan 0.000 0.482 435 I N 4.495 125.123 120.570 0.097 0.000 2.439 435 I HA 0.487 4.655 4.170 -0.004 0.000 0.285 435 I C -1.056 175.090 176.117 0.048 0.000 1.021 435 I CA -0.823 60.534 61.300 0.095 0.000 1.091 435 I CB 2.008 40.076 38.000 0.113 0.000 1.242 435 I HN 0.328 nan 8.210 nan 0.000 0.439 436 V N 5.915 125.857 119.914 0.048 0.000 2.443 436 V HA 0.419 4.536 4.120 -0.004 0.000 0.293 436 V C -0.441 175.682 176.094 0.049 0.000 1.021 436 V CA -0.727 61.598 62.300 0.042 0.000 0.848 436 V CB 1.636 33.487 31.823 0.047 0.000 0.998 436 V HN 0.641 nan 8.190 nan 0.000 0.424 437 N N 4.380 123.111 118.700 0.052 0.000 2.392 437 N HA 0.493 5.230 4.740 -0.004 0.000 0.283 437 N C -0.972 174.645 175.510 0.177 0.000 1.003 437 N CA -0.368 52.735 53.050 0.088 0.000 0.892 437 N CB 2.151 40.642 38.487 0.007 0.000 1.193 437 N HN 0.685 nan 8.380 nan 0.000 0.487 438 N N -0.183 118.609 118.700 0.154 0.000 2.249 438 N HA 0.429 5.167 4.740 -0.004 0.000 0.296 438 N C 0.391 175.927 175.510 0.044 0.000 1.051 438 N CA -0.443 52.655 53.050 0.080 0.000 0.815 438 N CB 2.426 40.931 38.487 0.031 0.000 1.487 438 N HN 0.681 nan 8.380 nan 0.000 0.475 439 G N 0.766 109.499 108.800 -0.110 0.000 2.213 439 G HA2 -0.237 3.720 3.960 -0.004 0.000 0.226 439 G HA3 -0.237 3.720 3.960 -0.004 0.000 0.226 439 G C 0.041 174.869 174.900 -0.119 0.000 0.992 439 G CA -0.060 44.979 45.100 -0.101 0.000 0.632 439 G HN 0.831 nan 8.290 nan 0.000 0.511 440 H N 0.970 120.036 119.070 -0.007 0.000 2.836 440 H HA 0.543 5.098 4.556 -0.003 0.000 0.368 440 H C 1.423 176.746 175.328 -0.009 0.000 1.164 440 H CA 0.732 56.775 56.048 -0.008 0.000 1.425 440 H CB 0.896 30.650 29.762 -0.013 0.000 1.414 440 H HN 0.518 nan 8.280 nan 0.000 0.614 441 S N 0.574 116.302 115.700 0.046 0.000 2.511 441 S HA 0.237 4.705 4.470 -0.004 0.000 0.214 441 S C 1.124 175.744 174.600 0.034 0.000 0.997 441 S CA -0.051 58.149 58.200 -0.000 0.000 0.908 441 S CB 0.304 63.507 63.200 0.005 0.000 0.803 441 S HN 0.864 nan 8.310 nan 0.000 0.504 442 G N 1.712 110.566 108.800 0.089 0.000 3.019 442 G HA2 0.648 4.606 3.960 -0.004 0.000 0.152 442 G HA3 0.648 4.606 3.960 -0.004 0.000 0.152 442 G C -2.743 172.218 174.900 0.102 0.000 1.320 442 G CA -1.444 43.697 45.100 0.068 0.000 1.013 442 G HN 0.304 nan 8.290 nan 0.000 0.593 443 P HA 0.414 nan 4.420 nan 0.000 0.271 443 P C -0.120 177.198 177.300 0.030 0.000 1.233 443 P CA -0.135 62.985 63.100 0.033 0.000 0.789 443 P CB 0.536 32.234 31.700 -0.004 0.000 0.951 444 A N 3.200 126.013 122.820 -0.011 0.000 2.498 444 A HA 0.229 4.546 4.320 -0.004 0.000 0.239 444 A C -1.636 175.819 177.584 -0.214 0.000 1.068 444 A CA -0.770 51.174 52.037 -0.156 0.000 0.766 444 A CB -0.982 17.965 19.000 -0.088 0.000 1.003 444 A HN 0.460 nan 8.150 nan 0.000 0.497 445 P HA 0.101 nan 4.420 nan 0.000 0.225 445 P C 0.677 177.888 177.300 -0.147 0.000 1.768 445 P CA 0.025 62.993 63.100 -0.219 0.000 0.943 445 P CB -0.134 31.413 31.700 -0.256 0.000 1.936 446 L N 0.392 121.546 121.223 -0.115 0.000 2.083 446 L HA -0.165 4.172 4.340 -0.004 0.000 0.209 446 L C 2.583 179.410 176.870 -0.072 0.000 1.083 446 L CA 1.724 56.513 54.840 -0.084 0.000 0.752 446 L CB -1.149 40.869 42.059 -0.068 0.000 0.899 446 L HN 0.115 nan 8.230 nan 0.000 0.433 447 A N -0.279 122.500 122.820 -0.069 0.000 1.972 447 A HA -0.111 4.207 4.320 -0.004 0.000 0.219 447 A C 2.374 179.917 177.584 -0.068 0.000 1.169 447 A CA 1.495 53.495 52.037 -0.061 0.000 0.635 447 A CB -0.663 18.306 19.000 -0.052 0.000 0.810 447 A HN 0.193 nan 8.150 nan 0.000 0.446 448 V N -0.123 119.745 119.914 -0.076 0.000 2.307 448 V HA -0.303 3.815 4.120 -0.004 0.000 0.245 448 V C 2.641 178.683 176.094 -0.087 0.000 1.045 448 V CA 2.255 64.507 62.300 -0.080 0.000 1.024 448 V CB -0.837 30.937 31.823 -0.082 0.000 0.651 448 V HN 0.657 nan 8.190 nan 0.000 0.449 449 Q N -0.462 119.290 119.800 -0.080 0.000 2.084 449 Q HA -0.240 4.098 4.340 -0.004 0.000 0.202 449 Q C 2.041 177.990 176.000 -0.084 0.000 0.978 449 Q CA 1.862 57.625 55.803 -0.067 0.000 0.844 449 Q CB -0.265 28.449 28.738 -0.040 0.000 0.898 449 Q HN 0.608 nan 8.270 nan 0.000 0.426 450 D N 0.496 120.850 120.400 -0.077 0.000 2.097 450 D HA -0.135 4.503 4.640 -0.004 0.000 0.195 450 D C 1.832 178.072 176.300 -0.100 0.000 0.989 450 D CA 1.395 55.346 54.000 -0.080 0.000 0.827 450 D CB -0.342 40.420 40.800 -0.063 0.000 0.966 450 D HN 0.264 nan 8.370 nan 0.000 0.456 451 A N 0.845 123.608 122.820 -0.094 0.000 1.892 451 A HA -0.192 4.126 4.320 -0.004 0.000 0.218 451 A C 2.402 179.907 177.584 -0.132 0.000 1.188 451 A CA 1.246 53.225 52.037 -0.097 0.000 0.631 451 A CB -0.843 18.107 19.000 -0.084 0.000 0.822 451 A HN 0.232 nan 8.150 nan 0.000 0.447 452 I N -0.449 120.023 120.570 -0.165 0.000 2.226 452 I HA -0.266 3.902 4.170 -0.004 0.000 0.245 452 I C 2.982 178.919 176.117 -0.301 0.000 1.100 452 I CA 1.018 62.180 61.300 -0.231 0.000 1.374 452 I CB -0.423 37.429 38.000 -0.247 0.000 1.057 452 I HN 0.371 nan 8.210 nan 0.000 0.413 453 A N 0.559 123.186 122.820 -0.321 0.000 1.902 453 A HA -0.150 4.168 4.320 -0.004 0.000 0.217 453 A C 2.437 179.873 177.584 -0.246 0.000 1.181 453 A CA 1.753 53.547 52.037 -0.406 0.000 0.623 453 A CB -0.972 17.852 19.000 -0.293 0.000 0.818 453 A HN 0.237 nan 8.150 nan 0.000 0.443 454 V N 0.019 119.838 119.914 -0.160 0.000 2.343 454 V HA -0.225 3.893 4.120 -0.004 0.000 0.247 454 V C 2.709 178.756 176.094 -0.077 0.000 1.051 454 V CA 2.000 64.240 62.300 -0.100 0.000 1.036 454 V CB -0.793 30.986 31.823 -0.074 0.000 0.654 454 V HN 0.464 nan 8.190 nan 0.000 0.451 455 R N -0.357 120.085 120.500 -0.098 0.000 2.096 455 R HA -0.064 4.274 4.340 -0.004 0.000 0.235 455 R C 2.193 178.470 176.300 -0.038 0.000 1.127 455 R CA 1.321 57.381 56.100 -0.066 0.000 0.968 455 R CB -0.519 29.718 30.300 -0.104 0.000 0.861 455 R HN 0.466 nan 8.270 nan 0.000 0.440 456 L N -0.370 120.787 121.223 -0.109 0.000 2.109 456 L HA -0.089 4.249 4.340 -0.004 0.000 0.207 456 L C 2.602 179.504 176.870 0.054 0.000 1.086 456 L CA 1.129 55.931 54.840 -0.062 0.000 0.760 456 L CB -0.574 41.347 42.059 -0.231 0.000 0.910 456 L HN 0.138 nan 8.230 nan 0.000 0.437 457 A N 0.155 122.976 122.820 0.002 0.000 1.933 457 A HA -0.212 4.106 4.320 -0.004 0.000 0.218 457 A C 2.135 179.818 177.584 0.166 0.000 1.175 457 A CA 1.603 53.681 52.037 0.068 0.000 0.628 457 A CB -0.365 18.609 19.000 -0.044 0.000 0.814 457 A HN 0.463 nan 8.150 nan 0.000 0.444 458 E N -1.821 118.444 120.200 0.107 0.000 2.072 458 E HA -0.185 4.163 4.350 -0.004 0.000 0.191 458 E C 1.844 178.508 176.600 0.106 0.000 0.985 458 E CA 1.314 57.775 56.400 0.100 0.000 0.801 458 E CB -0.298 29.442 29.700 0.066 0.000 0.750 458 E HN 0.776 nan 8.360 nan 0.000 0.452 459 Y N 1.092 121.401 120.300 0.015 0.000 2.293 459 Y HA -0.115 4.433 4.550 -0.004 0.000 0.291 459 Y C 2.103 178.020 175.900 0.028 0.000 1.137 459 Y CA 1.123 59.230 58.100 0.013 0.000 1.202 459 Y CB -0.064 38.398 38.460 0.003 0.000 0.990 459 Y HN -0.019 nan 8.280 nan 0.000 0.537 460 A N -0.702 122.198 122.820 0.134 0.000 2.206 460 A HA 0.293 4.611 4.320 -0.004 0.000 0.211 460 A C 1.809 179.365 177.584 -0.046 0.000 1.158 460 A CA 1.019 53.110 52.037 0.090 0.000 0.761 460 A CB -1.094 18.046 19.000 0.234 0.000 0.801 460 A HN 0.874 nan 8.150 nan 0.000 0.473 461 G N -1.777 106.974 108.800 -0.081 0.000 2.143 461 G HA2 -0.129 3.828 3.960 -0.004 0.000 0.175 461 G HA3 -0.129 3.828 3.960 -0.004 0.000 0.175 461 G C -0.091 174.656 174.900 -0.256 0.000 1.004 461 G CA 0.019 45.008 45.100 -0.184 0.000 0.671 461 G HN 0.633 nan 8.290 nan 0.000 0.512 462 H N -0.119 118.943 119.070 -0.013 0.000 2.525 462 H HA 0.681 5.235 4.556 -0.004 0.000 0.340 462 H C -0.070 175.254 175.328 -0.008 0.000 1.168 462 H CA 0.030 56.074 56.048 -0.007 0.000 1.247 462 H CB 1.667 31.429 29.762 0.000 0.000 1.568 462 H HN 0.287 nan 8.280 nan 0.000 0.536 463 Q N 0.023 119.898 119.800 0.125 0.000 2.413 463 Q HA 0.541 4.878 4.340 -0.004 0.000 0.276 463 Q C -0.689 175.346 176.000 0.058 0.000 1.099 463 Q CA -0.900 54.942 55.803 0.064 0.000 0.814 463 Q CB 2.449 31.206 28.738 0.032 0.000 1.379 463 Q HN 0.769 nan 8.270 nan 0.000 0.436 464 A N 2.661 125.500 122.820 0.032 0.000 2.425 464 A HA 0.513 4.830 4.320 -0.004 0.000 0.249 464 A C -2.024 175.571 177.584 0.018 0.000 1.084 464 A CA -0.965 51.083 52.037 0.019 0.000 0.781 464 A CB -0.457 18.547 19.000 0.007 0.000 1.019 464 A HN 0.534 nan 8.150 nan 0.000 0.490 465 P HA 0.231 nan 4.420 nan 0.000 0.276 465 P C -0.360 176.944 177.300 0.008 0.000 1.230 465 P CA 0.027 63.135 63.100 0.013 0.000 0.776 465 P CB 1.291 32.998 31.700 0.012 0.000 0.888 466 E N 1.189 121.393 120.200 0.008 0.000 2.364 466 E HA 0.313 4.660 4.350 -0.004 0.000 0.203 466 E C 0.939 177.542 176.600 0.005 0.000 0.888 466 E CA -0.003 56.400 56.400 0.005 0.000 0.989 466 E CB 0.528 30.231 29.700 0.005 0.000 0.985 466 E HN 0.688 nan 8.360 nan 0.000 0.499 467 G N 0.000 108.804 108.800 0.006 0.000 5.446 467 G HA2 0.000 3.958 3.960 -0.004 0.000 0.244 467 G HA3 0.000 3.958 3.960 -0.004 0.000 0.244 467 G CA 0.000 nan 45.100 nan 0.000 0.502 467 G HN 0.000 nan 8.290 nan 0.000 0.925