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 3pq2_1_B DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGCHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT APYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PAGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA 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 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.564 174.600 -0.061 0.000 1.055 28 S CA 0.000 58.173 58.200 -0.045 0.000 1.107 28 S CB 0.000 63.173 63.200 -0.046 0.000 0.593 29 L N 2.553 123.731 121.223 -0.075 0.000 2.375 29 L HA 0.410 4.773 4.340 0.038 0.000 0.215 29 L C 1.576 178.368 176.870 -0.129 0.000 1.108 29 L CA 0.638 55.429 54.840 -0.082 0.000 0.830 29 L CB -0.606 41.415 42.059 -0.064 0.000 0.959 29 L HN 0.770 nan 8.230 nan 0.000 0.457 30 A N 1.487 124.177 122.820 -0.216 0.000 2.425 30 A HA 0.348 4.691 4.320 0.038 0.000 0.242 30 A C -2.031 175.409 177.584 -0.240 0.000 1.077 30 A CA -0.896 50.894 52.037 -0.413 0.000 0.781 30 A CB -0.587 17.932 19.000 -0.801 0.000 1.020 30 A HN -0.007 nan 8.150 nan 0.000 0.494 31 P HA 0.097 nan 4.420 nan 0.000 0.271 31 P C 0.393 177.687 177.300 -0.011 0.000 1.216 31 P CA -0.121 62.954 63.100 -0.041 0.000 0.771 31 P CB 0.963 32.680 31.700 0.029 0.000 0.864 32 E N 2.733 122.929 120.200 -0.006 0.000 2.181 32 E HA -0.280 4.093 4.350 0.038 0.000 0.225 32 E C 1.176 177.799 176.600 0.037 0.000 1.073 32 E CA 2.456 58.863 56.400 0.011 0.000 0.916 32 E CB -0.655 29.048 29.700 0.006 0.000 0.793 32 E HN 0.645 nan 8.360 nan 0.000 0.472 33 D N -1.688 118.739 120.400 0.046 0.000 2.363 33 D HA 0.033 4.696 4.640 0.038 0.000 0.226 33 D C 1.301 177.648 176.300 0.079 0.000 1.020 33 D CA 1.074 55.105 54.000 0.051 0.000 0.892 33 D CB -0.456 40.367 40.800 0.038 0.000 0.900 33 D HN 0.354 nan 8.370 nan 0.000 0.531 34 G N 0.372 109.262 108.800 0.149 0.000 2.168 34 G HA2 -0.374 3.609 3.960 0.038 0.000 0.263 34 G HA3 -0.374 3.609 3.960 0.038 0.000 0.263 34 G C 1.054 176.026 174.900 0.120 0.000 0.977 34 G CA 0.949 46.175 45.100 0.210 0.000 0.659 34 G HN 0.731 nan 8.290 nan 0.000 0.533 35 S N 0.668 116.451 115.700 0.138 0.000 2.595 35 S HA -0.044 4.449 4.470 0.038 0.000 0.235 35 S C 1.908 176.550 174.600 0.071 0.000 0.974 35 S CA 1.200 59.438 58.200 0.065 0.000 0.942 35 S CB -0.576 62.658 63.200 0.057 0.000 0.766 35 S HN 0.943 nan 8.310 nan 0.000 0.536 36 H N 0.863 119.940 119.070 0.011 0.000 2.502 36 H HA 0.264 4.843 4.556 0.038 0.000 0.283 36 H C 0.832 176.172 175.328 0.020 0.000 1.015 36 H CA 0.336 56.392 56.048 0.013 0.000 1.298 36 H CB -0.305 29.463 29.762 0.011 0.000 1.411 36 H HN 0.358 nan 8.280 nan 0.000 0.556 37 R N 2.196 122.377 120.500 -0.531 0.000 2.338 37 R HA 0.367 4.730 4.340 0.038 0.000 0.317 37 R C -2.664 173.544 176.300 -0.153 0.000 0.968 37 R CA -1.986 53.896 56.100 -0.362 0.000 0.849 37 R CB 1.054 31.075 30.300 -0.466 0.000 1.128 37 R HN 0.101 nan 8.270 nan 0.000 0.448 38 P HA 0.146 nan 4.420 nan 0.000 0.275 38 P C -1.078 176.214 177.300 -0.013 0.000 1.227 38 P CA -0.371 62.720 63.100 -0.016 0.000 0.781 38 P CB 1.196 32.912 31.700 0.026 0.000 0.906 39 A N 3.052 125.870 122.820 -0.004 0.000 2.546 39 A HA 0.343 4.686 4.320 0.038 0.000 0.243 39 A C 0.971 178.566 177.584 0.019 0.000 1.063 39 A CA 0.171 52.210 52.037 0.003 0.000 0.757 39 A CB -0.503 18.502 19.000 0.007 0.000 0.991 39 A HN 0.592 nan 8.150 nan 0.000 0.503 40 A N 3.348 126.180 122.820 0.018 0.000 3.051 40 A HA 0.472 4.815 4.320 0.038 0.000 0.257 40 A C 0.422 178.026 177.584 0.032 0.000 1.785 40 A CA 0.274 52.328 52.037 0.029 0.000 1.420 40 A CB -0.925 18.089 19.000 0.023 0.000 1.063 40 A HN 0.899 nan 8.150 nan 0.000 0.630 41 E N -0.133 120.089 120.200 0.037 0.000 2.392 41 E HA 0.501 4.874 4.350 0.038 0.000 0.279 41 E C -3.258 173.369 176.600 0.044 0.000 0.964 41 E CA -2.487 53.936 56.400 0.039 0.000 0.777 41 E CB 1.341 31.058 29.700 0.028 0.000 1.249 41 E HN 0.094 nan 8.360 nan 0.000 0.449 42 P HA 0.024 nan 4.420 nan 0.000 0.267 42 P C -0.504 176.811 177.300 0.025 0.000 1.205 42 P CA 0.255 63.379 63.100 0.040 0.000 0.765 42 P CB 0.608 32.321 31.700 0.022 0.000 0.828 43 T N 0.590 115.156 114.554 0.020 0.000 2.909 43 T HA 0.606 4.979 4.350 0.038 0.000 0.299 43 T C -2.921 171.758 174.700 -0.035 0.000 1.073 43 T CA -2.569 59.534 62.100 0.005 0.000 0.999 43 T CB 1.646 70.521 68.868 0.013 0.000 1.098 43 T HN 0.118 nan 8.240 nan 0.000 0.477 44 P HA 0.370 nan 4.420 nan 0.000 0.274 44 P C -2.756 174.405 177.300 -0.231 0.000 1.246 44 P CA -1.662 61.294 63.100 -0.240 0.000 0.795 44 P CB -0.997 30.614 31.700 -0.148 0.000 1.006 45 P HA 0.050 nan 4.420 nan 0.000 0.262 45 P C 1.050 178.304 177.300 -0.077 0.000 1.182 45 P CA 1.476 64.477 63.100 -0.166 0.000 0.761 45 P CB -0.264 31.334 31.700 -0.171 0.000 0.795 46 G N 2.661 111.446 108.800 -0.025 0.000 2.179 46 G HA2 -0.337 3.646 3.960 0.038 0.000 0.260 46 G HA3 -0.337 3.646 3.960 0.038 0.000 0.260 46 G C 1.072 175.971 174.900 -0.001 0.000 0.977 46 G CA 0.398 45.496 45.100 -0.003 0.000 0.641 46 G HN 0.685 nan 8.290 nan 0.000 0.533 47 A N -1.319 121.496 122.820 -0.008 0.000 2.021 47 A HA 0.487 4.830 4.320 0.038 0.000 0.216 47 A C 1.280 178.869 177.584 0.007 0.000 1.163 47 A CA 1.741 53.778 52.037 -0.000 0.000 0.676 47 A CB 0.086 19.084 19.000 -0.004 0.000 0.818 47 A HN 0.459 nan 8.150 nan 0.000 0.453 48 Q N -0.788 119.021 119.800 0.014 0.000 2.456 48 Q HA 0.431 4.794 4.340 0.038 0.000 0.283 48 Q C -2.967 173.049 176.000 0.027 0.000 1.084 48 Q CA -2.024 53.791 55.803 0.020 0.000 0.801 48 Q CB 1.139 29.892 28.738 0.026 0.000 1.434 48 Q HN 0.053 nan 8.270 nan 0.000 0.419 49 P HA 0.047 nan 4.420 nan 0.000 0.268 49 P C -0.289 177.044 177.300 0.054 0.000 1.205 49 P CA 0.076 63.192 63.100 0.027 0.000 0.771 49 P CB 0.276 31.989 31.700 0.022 0.000 0.858 50 T N -0.468 114.118 114.554 0.054 0.000 2.828 50 T HA 0.625 4.998 4.350 0.038 0.000 0.290 50 T C -0.025 174.765 174.700 0.150 0.000 1.019 50 T CA -0.561 61.621 62.100 0.137 0.000 1.031 50 T CB 0.790 69.679 68.868 0.035 0.000 1.001 50 T HN 0.548 nan 8.240 nan 0.000 0.531 51 A N 1.707 124.717 122.820 0.318 0.000 2.594 51 A HA 0.795 5.138 4.320 0.038 0.000 0.291 51 A C -2.969 174.885 177.584 0.451 0.000 1.105 51 A CA -2.045 50.155 52.037 0.271 0.000 0.694 51 A CB 0.740 19.847 19.000 0.177 0.000 1.291 51 A HN 0.673 nan 8.150 nan 0.000 0.410 52 P HA 0.117 nan 4.420 nan 0.000 0.267 52 P C 1.111 178.564 177.300 0.255 0.000 1.200 52 P CA 0.793 64.116 63.100 0.371 0.000 0.772 52 P CB 0.543 32.380 31.700 0.228 0.000 0.855 53 G N 1.770 110.676 108.800 0.177 0.000 2.422 53 G HA2 -0.248 3.735 3.960 0.038 0.000 0.218 53 G HA3 -0.248 3.735 3.960 0.038 0.000 0.218 53 G C 1.558 176.474 174.900 0.027 0.000 1.146 53 G CA 0.984 46.102 45.100 0.030 0.000 0.769 53 G HN 0.593 nan 8.290 nan 0.000 0.547 54 S N 0.190 115.911 115.700 0.035 0.000 2.447 54 S HA 0.095 4.588 4.470 0.038 0.000 0.233 54 S C 2.224 176.844 174.600 0.033 0.000 1.006 54 S CA 0.791 58.998 58.200 0.011 0.000 0.957 54 S CB -0.213 62.989 63.200 0.002 0.000 0.773 54 S HN 0.310 nan 8.310 nan 0.000 0.507 55 L N -0.105 121.155 121.223 0.062 0.000 2.249 55 L HA 0.227 4.590 4.340 0.038 0.000 0.207 55 L C 2.721 179.626 176.870 0.058 0.000 1.090 55 L CA 0.839 55.715 54.840 0.060 0.000 0.802 55 L CB -0.382 41.722 42.059 0.075 0.000 0.947 55 L HN 0.241 nan 8.230 nan 0.000 0.453 56 K N 1.445 121.891 120.400 0.076 0.000 2.103 56 K HA 0.004 4.347 4.320 0.038 0.000 0.204 56 K C 0.749 177.380 176.600 0.052 0.000 1.052 56 K CA 1.344 57.675 56.287 0.074 0.000 0.945 56 K CB 0.059 32.618 32.500 0.099 0.000 0.722 56 K HN 0.170 nan 8.250 nan 0.000 0.443 57 A N 0.493 123.334 122.820 0.036 0.000 3.317 57 A HA 0.356 4.699 4.320 0.038 0.000 0.307 57 A C -2.240 175.348 177.584 0.005 0.000 1.003 57 A CA -0.965 51.088 52.037 0.026 0.000 0.882 57 A CB 0.616 19.634 19.000 0.030 0.000 1.136 57 A HN 0.109 nan 8.150 nan 0.000 0.488 58 P HA -0.085 nan 4.420 nan 0.000 0.222 58 P C 0.093 177.385 177.300 -0.013 0.000 1.147 58 P CA 1.196 64.294 63.100 -0.002 0.000 0.790 58 P CB 0.325 32.029 31.700 0.006 0.000 0.780 59 D N -1.262 119.135 120.400 -0.006 0.000 2.340 59 D HA 0.033 4.696 4.640 0.038 0.000 0.217 59 D C 0.156 176.443 176.300 -0.022 0.000 1.081 59 D CA 0.460 54.453 54.000 -0.012 0.000 0.842 59 D CB -0.297 40.503 40.800 -0.000 0.000 0.934 59 D HN 0.064 nan 8.370 nan 0.000 0.511 60 T N 2.716 117.252 114.554 -0.030 0.000 2.727 60 T HA 0.282 4.655 4.350 0.038 0.000 0.295 60 T C 0.430 175.083 174.700 -0.079 0.000 0.915 60 T CA -0.404 61.663 62.100 -0.054 0.000 1.066 60 T CB 0.904 69.735 68.868 -0.062 0.000 0.891 60 T HN -0.142 nan 8.240 nan 0.000 0.516 61 R N 3.258 123.707 120.500 -0.086 0.000 2.807 61 R HA 0.649 5.012 4.340 0.038 0.000 0.276 61 R C -0.426 175.814 176.300 -0.101 0.000 0.979 61 R CA -1.014 55.029 56.100 -0.094 0.000 0.928 61 R CB 1.750 32.003 30.300 -0.078 0.000 1.191 61 R HN 0.795 nan 8.270 nan 0.000 0.471 62 N N -2.048 116.595 118.700 -0.096 0.000 2.825 62 N HA 0.043 4.806 4.740 0.038 0.000 0.253 62 N C 0.239 175.703 175.510 -0.077 0.000 1.426 62 N CA -0.833 52.175 53.050 -0.071 0.000 0.851 62 N CB 0.912 39.388 38.487 -0.018 0.000 1.470 62 N HN 0.586 nan 8.380 nan 0.000 0.517 63 E N -0.289 119.881 120.200 -0.050 0.000 2.118 63 E HA -0.278 4.095 4.350 0.038 0.000 0.195 63 E C 1.026 177.556 176.600 -0.117 0.000 0.992 63 E CA 1.447 57.813 56.400 -0.057 0.000 0.804 63 E CB 0.109 29.802 29.700 -0.011 0.000 0.741 63 E HN 0.499 nan 8.360 nan 0.000 0.458 64 K N 0.593 120.887 120.400 -0.176 0.000 2.031 64 K HA -0.049 4.294 4.320 0.038 0.000 0.205 64 K C 2.077 178.505 176.600 -0.287 0.000 1.049 64 K CA 1.024 57.107 56.287 -0.341 0.000 0.939 64 K CB -0.354 31.774 32.500 -0.621 0.000 0.717 64 K HN 0.166 nan 8.250 nan 0.000 0.438 65 L N 0.919 121.988 121.223 -0.257 0.000 2.046 65 L HA -0.206 4.157 4.340 0.038 0.000 0.208 65 L C 1.847 178.598 176.870 -0.198 0.000 1.077 65 L CA 1.249 55.913 54.840 -0.294 0.000 0.747 65 L CB -0.586 41.295 42.059 -0.297 0.000 0.896 65 L HN 0.265 nan 8.230 nan 0.000 0.432 66 N N -0.270 118.341 118.700 -0.149 0.000 2.120 66 N HA -0.162 4.601 4.740 0.038 0.000 0.188 66 N C 2.056 177.504 175.510 -0.102 0.000 1.024 66 N CA 1.694 54.680 53.050 -0.108 0.000 0.852 66 N CB -0.484 37.954 38.487 -0.082 0.000 1.003 66 N HN 0.355 nan 8.380 nan 0.000 0.424 67 S N 0.500 116.129 115.700 -0.118 0.000 2.469 67 S HA 0.006 4.499 4.470 0.038 0.000 0.238 67 S C 1.800 176.335 174.600 -0.108 0.000 0.998 67 S CA 0.452 58.589 58.200 -0.104 0.000 0.957 67 S CB -0.476 62.656 63.200 -0.113 0.000 0.764 67 S HN 0.255 nan 8.310 nan 0.000 0.514 68 L N 0.697 121.840 121.223 -0.133 0.000 2.554 68 L HA 0.187 4.550 4.340 0.038 0.000 0.226 68 L C 2.617 179.437 176.870 -0.084 0.000 1.137 68 L CA 0.551 55.320 54.840 -0.118 0.000 0.863 68 L CB -0.350 41.619 42.059 -0.150 0.000 0.985 68 L HN 0.281 nan 8.230 nan 0.000 0.451 69 E N 1.034 121.188 120.200 -0.077 0.000 2.204 69 E HA -0.250 4.123 4.350 0.038 0.000 0.195 69 E C 1.665 178.241 176.600 -0.040 0.000 0.990 69 E CA 1.421 57.789 56.400 -0.053 0.000 0.821 69 E CB -0.062 29.609 29.700 -0.047 0.000 0.750 69 E HN 0.555 nan 8.360 nan 0.000 0.477 70 D N -0.523 119.851 120.400 -0.043 0.000 2.309 70 D HA -0.138 4.525 4.640 0.038 0.000 0.212 70 D C 1.583 177.864 176.300 -0.032 0.000 0.968 70 D CA 1.449 55.429 54.000 -0.033 0.000 0.882 70 D CB -0.224 40.556 40.800 -0.033 0.000 0.918 70 D HN 0.312 nan 8.370 nan 0.000 0.503 71 V N -3.539 116.354 119.914 -0.035 0.000 3.556 71 V HA 0.309 4.452 4.120 0.038 0.000 0.287 71 V C 0.830 176.911 176.094 -0.021 0.000 1.422 71 V CA -0.692 61.591 62.300 -0.028 0.000 1.038 71 V CB -0.339 31.466 31.823 -0.030 0.000 0.850 71 V HN -0.158 nan 8.190 nan 0.000 0.437 72 R N 2.175 122.662 120.500 -0.022 0.000 2.537 72 R HA 0.388 4.751 4.340 0.038 0.000 0.280 72 R C -0.214 176.082 176.300 -0.007 0.000 1.058 72 R CA 0.168 56.264 56.100 -0.007 0.000 1.057 72 R CB 0.579 30.875 30.300 -0.006 0.000 0.973 72 R HN 0.377 nan 8.270 nan 0.000 0.438 73 K N 1.285 121.686 120.400 0.000 0.000 2.376 73 K HA 0.306 4.649 4.320 0.038 0.000 0.257 73 K C -0.032 176.580 176.600 0.020 0.000 0.939 73 K CA -0.428 55.849 56.287 -0.017 0.000 0.809 73 K CB 1.811 34.283 32.500 -0.047 0.000 1.121 73 K HN 0.734 nan 8.250 nan 0.000 0.425 74 G N 0.596 109.429 108.800 0.054 0.000 2.504 74 G HA2 0.207 4.190 3.960 0.038 0.000 0.257 74 G HA3 0.207 4.190 3.960 0.038 0.000 0.257 74 G C 0.390 175.395 174.900 0.177 0.000 1.451 74 G CA 0.339 45.524 45.100 0.141 0.000 1.059 74 G HN 0.717 nan 8.290 nan 0.000 0.550 75 S N -2.711 113.174 115.700 0.307 0.000 2.501 75 S HA 0.100 4.593 4.470 0.038 0.000 0.250 75 S C 0.191 174.960 174.600 0.281 0.000 0.959 75 S CA -0.139 58.243 58.200 0.302 0.000 1.250 75 S CB 0.009 63.297 63.200 0.148 0.000 0.933 75 S HN 0.517 nan 8.310 nan 0.000 0.420 76 E N 3.137 123.419 120.200 0.136 0.000 2.414 76 E HA 0.314 4.687 4.350 0.038 0.000 0.263 76 E C -0.181 176.319 176.600 -0.166 0.000 1.000 76 E CA 0.143 56.547 56.400 0.007 0.000 0.914 76 E CB 0.048 29.745 29.700 -0.004 0.000 0.948 76 E HN 0.366 nan 8.360 nan 0.000 0.444 77 N N 0.548 119.168 118.700 -0.133 0.000 2.828 77 N HA -0.214 4.549 4.740 0.038 0.000 0.248 77 N C -1.096 174.260 175.510 -0.256 0.000 1.044 77 N CA 1.163 54.090 53.050 -0.206 0.000 0.851 77 N CB -1.260 37.071 38.487 -0.261 0.000 1.136 77 N HN 0.386 nan 8.380 nan 0.000 0.572 78 Y N 0.633 120.939 120.300 0.009 0.000 2.387 78 Y HA 0.612 5.186 4.550 0.039 0.000 0.330 78 Y C 0.928 176.830 175.900 0.004 0.000 1.133 78 Y CA -0.660 57.445 58.100 0.007 0.000 1.152 78 Y CB 1.021 39.486 38.460 0.008 0.000 1.215 78 Y HN 0.115 nan 8.280 nan 0.000 0.466 79 A N 2.792 125.724 122.820 0.188 0.000 2.425 79 A HA 0.357 4.700 4.320 0.038 0.000 0.249 79 A C -0.614 177.019 177.584 0.082 0.000 1.084 79 A CA -0.508 51.590 52.037 0.101 0.000 0.781 79 A CB -0.034 19.011 19.000 0.076 0.000 1.019 79 A HN 0.716 nan 8.150 nan 0.000 0.490 80 L N 3.454 124.706 121.223 0.049 0.000 2.418 80 L HA 0.461 4.824 4.340 0.038 0.000 0.274 80 L C 0.678 177.556 176.870 0.014 0.000 1.135 80 L CA 1.183 56.038 54.840 0.025 0.000 0.870 80 L CB 0.106 42.171 42.059 0.010 0.000 1.154 80 L HN 0.886 nan 8.230 nan 0.000 0.462 81 T N 0.488 115.046 114.554 0.006 0.000 2.887 81 T HA 0.669 5.042 4.350 0.038 0.000 0.292 81 T C 0.254 174.956 174.700 0.003 0.000 1.087 81 T CA -0.195 61.911 62.100 0.009 0.000 1.009 81 T CB 1.036 69.911 68.868 0.013 0.000 1.203 81 T HN 0.777 nan 8.240 nan 0.000 0.518 82 T N 0.341 114.911 114.554 0.026 0.000 2.701 82 T HA 0.183 4.556 4.350 0.038 0.000 0.303 82 T C 1.143 175.860 174.700 0.029 0.000 1.030 82 T CA -0.473 61.652 62.100 0.041 0.000 1.010 82 T CB -0.093 68.844 68.868 0.116 0.000 1.007 82 T HN 0.574 nan 8.240 nan 0.000 0.532 83 N N 0.565 119.285 118.700 0.033 0.000 2.364 83 N HA -0.087 4.676 4.740 0.038 0.000 0.183 83 N C 1.592 177.123 175.510 0.034 0.000 1.022 83 N CA 0.721 53.785 53.050 0.023 0.000 0.883 83 N CB -0.206 38.303 38.487 0.037 0.000 0.965 83 N HN 0.569 nan 8.380 nan 0.000 0.438 84 Q N -0.462 119.372 119.800 0.057 0.000 2.403 84 Q HA 0.176 4.539 4.340 0.038 0.000 0.203 84 Q C 0.791 176.815 176.000 0.040 0.000 0.932 84 Q CA 0.202 56.035 55.803 0.049 0.000 0.945 84 Q CB 0.350 29.125 28.738 0.062 0.000 1.045 84 Q HN 0.414 nan 8.270 nan 0.000 0.511 85 G N 0.523 109.344 108.800 0.036 0.000 2.136 85 G HA2 -0.238 3.745 3.960 0.038 0.000 0.242 85 G HA3 -0.238 3.745 3.960 0.038 0.000 0.242 85 G C 0.078 175.004 174.900 0.044 0.000 0.989 85 G CA 0.162 45.278 45.100 0.027 0.000 0.682 85 G HN 0.225 nan 8.290 nan 0.000 0.522 86 V N 1.599 121.556 119.914 0.071 0.000 2.406 86 V HA 0.362 4.505 4.120 0.038 0.000 0.272 86 V C 1.299 177.433 176.094 0.066 0.000 1.043 86 V CA -0.614 61.740 62.300 0.090 0.000 0.915 86 V CB 1.122 33.045 31.823 0.167 0.000 0.988 86 V HN 0.404 nan 8.190 nan 0.000 0.466 87 R N 4.380 124.911 120.500 0.053 0.000 2.537 87 R HA 0.343 4.706 4.340 0.038 0.000 0.280 87 R C -0.495 175.818 176.300 0.022 0.000 1.058 87 R CA -0.056 56.065 56.100 0.035 0.000 1.057 87 R CB 0.518 30.838 30.300 0.034 0.000 0.973 87 R HN 0.579 nan 8.270 nan 0.000 0.438 88 I N 2.175 122.746 120.570 0.001 0.000 2.353 88 I HA 0.106 4.299 4.170 0.038 0.000 0.293 88 I C 1.031 177.137 176.117 -0.019 0.000 0.992 88 I CA 0.017 61.302 61.300 -0.026 0.000 1.268 88 I CB 1.831 39.805 38.000 -0.043 0.000 1.387 88 I HN 0.769 nan 8.210 nan 0.000 0.478 89 A N 4.134 126.939 122.820 -0.025 0.000 1.911 89 A HA -0.003 4.340 4.320 0.038 0.000 0.212 89 A C 0.714 178.283 177.584 -0.026 0.000 1.189 89 A CA 0.943 52.970 52.037 -0.018 0.000 0.639 89 A CB 0.038 19.030 19.000 -0.013 0.000 0.839 89 A HN 0.689 nan 8.150 nan 0.000 0.449 90 D N -0.453 119.924 120.400 -0.039 0.000 2.440 90 D HA 0.329 4.992 4.640 0.038 0.000 0.252 90 D C -1.376 174.891 176.300 -0.054 0.000 1.180 90 D CA -0.374 53.601 54.000 -0.041 0.000 0.894 90 D CB 1.091 41.867 40.800 -0.040 0.000 1.111 90 D HN 0.061 nan 8.370 nan 0.000 0.544 91 D N 2.132 122.504 120.400 -0.048 0.000 2.460 91 D HA 0.071 4.734 4.640 0.038 0.000 0.229 91 D C 0.522 176.790 176.300 -0.053 0.000 1.170 91 D CA 0.205 54.173 54.000 -0.055 0.000 0.827 91 D CB 0.471 41.243 40.800 -0.046 0.000 0.973 91 D HN 0.225 nan 8.370 nan 0.000 0.496 92 Q N -0.711 119.059 119.800 -0.050 0.000 2.245 92 Q HA 0.270 4.633 4.340 0.038 0.000 0.236 92 Q C -0.165 175.805 176.000 -0.049 0.000 0.842 92 Q CA 0.147 55.921 55.803 -0.047 0.000 0.945 92 Q CB 0.809 29.523 28.738 -0.039 0.000 1.122 92 Q HN 0.184 nan 8.270 nan 0.000 0.506 93 N N 0.124 118.793 118.700 -0.052 0.000 2.242 93 N HA 0.329 5.092 4.740 0.038 0.000 0.292 93 N C -0.935 174.541 175.510 -0.057 0.000 1.125 93 N CA -0.251 52.769 53.050 -0.049 0.000 0.783 93 N CB 2.146 40.609 38.487 -0.040 0.000 1.558 93 N HN -0.178 nan 8.380 nan 0.000 0.472 94 S N 0.725 116.394 115.700 -0.051 0.000 2.603 94 S HA 0.275 4.768 4.470 0.038 0.000 0.268 94 S C 0.130 174.704 174.600 -0.042 0.000 1.317 94 S CA -0.546 57.623 58.200 -0.050 0.000 1.012 94 S CB 0.675 63.851 63.200 -0.039 0.000 0.926 94 S HN 0.384 nan 8.310 nan 0.000 0.539 95 L N 3.410 124.608 121.223 -0.041 0.000 2.319 95 L HA 0.438 4.801 4.340 0.038 0.000 0.280 95 L C 0.055 176.918 176.870 -0.013 0.000 1.099 95 L CA 0.365 55.189 54.840 -0.026 0.000 0.828 95 L CB -0.047 42.000 42.059 -0.021 0.000 1.150 95 L HN 0.725 nan 8.230 nan 0.000 0.442 96 R N 4.163 124.658 120.500 -0.010 0.000 2.836 96 R HA 0.861 5.224 4.340 0.038 0.000 0.269 96 R C -1.168 175.131 176.300 -0.001 0.000 1.010 96 R CA -0.845 55.252 56.100 -0.005 0.000 0.930 96 R CB 1.160 31.455 30.300 -0.009 0.000 1.218 96 R HN 0.591 nan 8.270 nan 0.000 0.473 97 A N 1.349 124.170 122.820 0.001 0.000 2.666 97 A HA 0.590 4.933 4.320 0.038 0.000 0.312 97 A C 0.608 178.192 177.584 0.000 0.000 1.471 97 A CA 0.318 52.356 52.037 0.003 0.000 1.134 97 A CB -0.896 18.107 19.000 0.005 0.000 1.129 97 A HN 1.244 nan 8.150 nan 0.000 0.539 98 G N 1.114 109.914 108.800 -0.001 0.000 2.690 98 G HA2 0.040 4.023 3.960 0.038 0.000 0.686 98 G HA3 0.040 4.023 3.960 0.038 0.000 0.686 98 G C 0.626 175.523 174.900 -0.005 0.000 1.277 98 G CA 0.091 45.190 45.100 -0.002 0.000 0.799 98 G HN 1.814 nan 8.290 nan 0.000 0.613 99 S N -0.489 115.207 115.700 -0.006 0.000 2.561 99 S HA 0.064 4.557 4.470 0.038 0.000 0.225 99 S C 1.476 176.071 174.600 -0.009 0.000 0.977 99 S CA 1.190 59.384 58.200 -0.009 0.000 0.926 99 S CB 0.121 63.316 63.200 -0.009 0.000 0.769 99 S HN 0.728 nan 8.310 nan 0.000 0.533 100 R N 0.877 121.372 120.500 -0.008 0.000 2.613 100 R HA 0.346 4.710 4.340 0.038 0.000 0.361 100 R C 0.827 177.123 176.300 -0.006 0.000 1.072 100 R CA -0.012 56.084 56.100 -0.008 0.000 1.089 100 R CB 0.809 31.105 30.300 -0.007 0.000 1.343 100 R HN 0.438 nan 8.270 nan 0.000 0.571 101 G N 1.558 110.355 108.800 -0.005 0.000 2.613 101 G HA2 0.409 4.392 3.960 0.038 0.000 0.303 101 G HA3 0.409 4.392 3.960 0.038 0.000 0.303 101 G C -2.418 172.480 174.900 -0.004 0.000 1.312 101 G CA -1.163 43.935 45.100 -0.003 0.000 1.036 101 G HN -0.109 nan 8.290 nan 0.000 0.513 102 P HA 0.217 nan 4.420 nan 0.000 0.274 102 P C -0.155 177.145 177.300 -0.001 0.000 1.231 102 P CA -0.065 63.035 63.100 -0.000 0.000 0.790 102 P CB 0.690 32.392 31.700 0.003 0.000 0.951 103 T N 2.198 116.751 114.554 -0.001 0.000 2.907 103 T HA 0.280 4.653 4.350 0.038 0.000 0.298 103 T C 0.482 175.185 174.700 0.006 0.000 1.017 103 T CA -0.193 61.907 62.100 -0.001 0.000 1.118 103 T CB 0.022 68.886 68.868 -0.005 0.000 0.948 103 T HN 0.182 nan 8.240 nan 0.000 0.531 104 L N 3.406 124.635 121.223 0.010 0.000 2.334 104 L HA 0.304 4.667 4.340 0.038 0.000 0.277 104 L C 1.376 178.264 176.870 0.030 0.000 1.075 104 L CA -0.768 54.083 54.840 0.020 0.000 0.804 104 L CB 0.838 42.911 42.059 0.023 0.000 1.174 104 L HN 0.508 nan 8.230 nan 0.000 0.438 105 L N 2.271 123.515 121.223 0.035 0.000 2.201 105 L HA -0.168 4.195 4.340 0.038 0.000 0.212 105 L C 2.237 179.148 176.870 0.068 0.000 1.105 105 L CA 1.558 56.425 54.840 0.045 0.000 0.775 105 L CB -0.586 41.497 42.059 0.040 0.000 0.913 105 L HN 0.784 nan 8.230 nan 0.000 0.440 106 E N -1.507 118.737 120.200 0.074 0.000 2.526 106 E HA -0.157 4.216 4.350 0.038 0.000 0.198 106 E C 0.113 176.820 176.600 0.178 0.000 1.091 106 E CA 0.148 56.620 56.400 0.120 0.000 0.880 106 E CB -0.510 29.251 29.700 0.102 0.000 0.873 106 E HN 0.353 nan 8.360 nan 0.000 0.527 107 D N 1.237 121.697 120.400 0.100 0.000 2.508 107 D HA -0.037 4.626 4.640 0.038 0.000 0.224 107 D C 0.419 176.740 176.300 0.036 0.000 1.171 107 D CA -0.576 53.438 54.000 0.024 0.000 1.006 107 D CB -0.247 40.535 40.800 -0.030 0.000 1.073 107 D HN 0.327 nan 8.370 nan 0.000 0.513 108 F N 1.685 121.644 119.950 0.014 0.000 2.558 108 F HA 0.116 4.666 4.527 0.038 0.000 0.298 108 F C 1.521 177.333 175.800 0.021 0.000 1.119 108 F CA 0.093 58.105 58.000 0.020 0.000 1.451 108 F CB -0.524 38.487 39.000 0.018 0.000 1.091 108 F HN 0.166 nan 8.300 nan 0.000 0.563 109 I N 0.329 120.490 120.570 -0.682 0.000 2.233 109 I HA -0.179 4.014 4.170 0.038 0.000 0.243 109 I C 2.464 178.471 176.117 -0.183 0.000 1.093 109 I CA 0.925 61.939 61.300 -0.477 0.000 1.380 109 I CB -0.501 37.162 38.000 -0.561 0.000 1.067 109 I HN 0.278 nan 8.210 nan 0.000 0.413 110 L N 1.192 122.324 121.223 -0.152 0.000 1.989 110 L HA -0.209 4.154 4.340 0.038 0.000 0.211 110 L C 2.625 179.486 176.870 -0.015 0.000 1.071 110 L CA 1.915 56.711 54.840 -0.074 0.000 0.749 110 L CB -0.570 41.453 42.059 -0.061 0.000 0.890 110 L HN 0.057 nan 8.230 nan 0.000 0.431 111 R N -0.692 119.819 120.500 0.018 0.000 2.092 111 R HA -0.151 4.212 4.340 0.038 0.000 0.231 111 R C 2.305 178.661 176.300 0.093 0.000 1.119 111 R CA 1.372 57.511 56.100 0.066 0.000 0.970 111 R CB -0.338 30.016 30.300 0.091 0.000 0.864 111 R HN 0.588 nan 8.270 nan 0.000 0.440 112 E N 1.272 121.532 120.200 0.099 0.000 2.051 112 E HA -0.237 4.136 4.350 0.038 0.000 0.192 112 E C 1.913 178.588 176.600 0.126 0.000 0.991 112 E CA 1.217 57.693 56.400 0.127 0.000 0.799 112 E CB 0.105 29.886 29.700 0.135 0.000 0.748 112 E HN 0.137 nan 8.360 nan 0.000 0.449 113 K N 0.253 120.696 120.400 0.072 0.000 2.063 113 K HA -0.155 4.188 4.320 0.038 0.000 0.208 113 K C 2.076 178.749 176.600 0.122 0.000 1.048 113 K CA 1.435 57.763 56.287 0.068 0.000 0.928 113 K CB -0.023 32.476 32.500 -0.002 0.000 0.713 113 K HN 0.162 nan 8.250 nan 0.000 0.442 114 I N 1.081 121.707 120.570 0.094 0.000 2.500 114 I HA -0.148 4.045 4.170 0.038 0.000 0.252 114 I C 2.091 178.314 176.117 0.176 0.000 1.142 114 I CA 1.165 62.539 61.300 0.123 0.000 1.451 114 I CB -1.368 36.667 38.000 0.058 0.000 1.093 114 I HN 0.206 nan 8.210 nan 0.000 0.430 115 T N -0.150 114.500 114.554 0.161 0.000 2.684 115 T HA -0.225 4.148 4.350 0.038 0.000 0.267 115 T C 1.963 176.791 174.700 0.214 0.000 1.036 115 T CA 1.480 63.694 62.100 0.191 0.000 1.148 115 T CB -0.405 68.588 68.868 0.207 0.000 0.863 115 T HN 0.343 nan 8.240 nan 0.000 0.436 116 H N -0.098 119.062 119.070 0.150 0.000 2.357 116 H HA -0.050 4.530 4.556 0.039 0.000 0.301 116 H C 2.203 177.581 175.328 0.084 0.000 1.082 116 H CA 1.495 57.617 56.048 0.123 0.000 1.342 116 H CB -0.443 29.373 29.762 0.091 0.000 1.389 116 H HN 0.389 nan 8.280 nan 0.000 0.511 117 F N 2.112 122.121 119.950 0.099 0.000 2.095 117 F HA -0.217 4.334 4.527 0.041 0.000 0.298 117 F C 1.921 177.663 175.800 -0.097 0.000 1.104 117 F CA 1.873 59.879 58.000 0.010 0.000 1.232 117 F CB -0.321 38.678 39.000 -0.001 0.000 0.987 117 F HN 0.077 nan 8.300 nan 0.000 0.475 118 D N -1.336 118.971 120.400 -0.156 0.000 2.310 118 D HA -0.116 4.547 4.640 0.038 0.000 0.212 118 D C 1.169 177.059 176.300 -0.683 0.000 0.965 118 D CA 1.100 54.845 54.000 -0.425 0.000 0.879 118 D CB -0.331 40.203 40.800 -0.442 0.000 0.921 118 D HN 0.496 nan 8.370 nan 0.000 0.510 119 H N -0.542 118.408 119.070 -0.199 0.000 2.567 119 H HA 0.224 4.802 4.556 0.037 0.000 0.267 119 H C 0.995 176.166 175.328 -0.262 0.000 1.148 119 H CA -0.116 55.815 56.048 -0.196 0.000 1.031 119 H CB 0.546 30.214 29.762 -0.157 0.000 1.691 119 H HN 0.250 nan 8.280 nan 0.000 0.588 120 E N 0.728 120.760 120.200 -0.280 0.000 2.150 120 E HA -0.053 4.320 4.350 0.038 0.000 0.193 120 E C 0.515 176.965 176.600 -0.249 0.000 0.985 120 E CA 0.626 56.839 56.400 -0.313 0.000 0.814 120 E CB 0.434 29.922 29.700 -0.353 0.000 0.752 120 E HN 0.165 nan 8.360 nan 0.000 0.466 121 R N 1.159 121.570 120.500 -0.148 0.000 2.410 121 R HA 0.371 4.734 4.340 0.038 0.000 0.288 121 R C 0.434 176.776 176.300 0.069 0.000 1.051 121 R CA -0.266 55.820 56.100 -0.023 0.000 1.021 121 R CB 0.847 31.128 30.300 -0.033 0.000 1.032 121 R HN 0.158 nan 8.270 nan 0.000 0.481 122 I N -1.074 119.600 120.570 0.173 0.000 2.957 122 I HA 0.602 4.795 4.170 0.038 0.000 0.310 122 I C -2.266 173.913 176.117 0.105 0.000 1.063 122 I CA -2.922 58.467 61.300 0.147 0.000 1.033 122 I CB 1.853 39.973 38.000 0.201 0.000 1.230 122 I HN 0.240 nan 8.210 nan 0.000 0.447 123 P HA 0.097 nan 4.420 nan 0.000 0.267 123 P C -0.982 176.350 177.300 0.053 0.000 1.200 123 P CA -0.075 63.054 63.100 0.049 0.000 0.772 123 P CB 0.423 32.142 31.700 0.030 0.000 0.855 124 E N 2.290 122.523 120.200 0.055 0.000 2.345 124 E HA 0.225 4.598 4.350 0.038 0.000 0.259 124 E C -0.511 176.117 176.600 0.047 0.000 1.117 124 E CA -0.890 55.548 56.400 0.063 0.000 0.913 124 E CB 0.636 30.380 29.700 0.073 0.000 1.057 124 E HN 0.241 nan 8.360 nan 0.000 0.432 125 R N 0.939 121.472 120.500 0.055 0.000 2.638 125 R HA -0.028 4.335 4.340 0.038 0.000 0.268 125 R C 1.214 177.553 176.300 0.063 0.000 1.006 125 R CA -0.414 55.717 56.100 0.052 0.000 1.088 125 R CB 0.192 30.541 30.300 0.082 0.000 0.950 125 R HN 0.570 nan 8.270 nan 0.000 0.419 126 I N 1.931 122.532 120.570 0.053 0.000 2.208 126 I HA -0.144 4.049 4.170 0.038 0.000 0.245 126 I C 1.233 177.409 176.117 0.098 0.000 1.097 126 I CA 1.520 62.861 61.300 0.068 0.000 1.363 126 I CB -1.034 37.011 38.000 0.075 0.000 1.051 126 I HN 0.426 nan 8.210 nan 0.000 0.413 127 V N -3.228 116.780 119.914 0.156 0.000 3.001 127 V HA 0.516 4.659 4.120 0.038 0.000 0.314 127 V C 0.389 176.666 176.094 0.306 0.000 1.099 127 V CA -0.847 61.579 62.300 0.209 0.000 0.989 127 V CB 1.765 33.784 31.823 0.327 0.000 1.040 127 V HN 0.450 nan 8.190 nan 0.000 0.434 128 H N 0.445 119.584 119.070 0.113 0.000 2.862 128 H HA -0.212 4.364 4.556 0.033 0.000 0.290 128 H C 1.525 176.904 175.328 0.084 0.000 1.211 128 H CA 0.727 56.835 56.048 0.100 0.000 1.140 128 H CB -1.189 28.622 29.762 0.082 0.000 1.341 128 H HN 1.156 nan 8.280 nan 0.000 0.392 129 A N 0.687 123.604 122.820 0.161 0.000 2.070 129 A HA -0.094 4.249 4.320 0.038 0.000 0.220 129 A C 1.646 179.323 177.584 0.154 0.000 1.159 129 A CA 1.289 53.408 52.037 0.136 0.000 0.656 129 A CB -0.051 19.007 19.000 0.097 0.000 0.800 129 A HN 0.266 nan 8.150 nan 0.000 0.453 130 R N -0.039 120.554 120.500 0.156 0.000 2.229 130 R HA 0.542 4.905 4.340 0.038 0.000 0.332 130 R C -0.193 176.235 176.300 0.213 0.000 0.989 130 R CA 0.595 56.804 56.100 0.181 0.000 0.842 130 R CB 0.572 30.965 30.300 0.156 0.000 1.119 130 R HN 0.308 nan 8.270 nan 0.000 0.456 131 G N 0.820 109.771 108.800 0.250 0.000 2.646 131 G HA2 0.504 4.487 3.960 0.038 0.000 0.291 131 G HA3 0.504 4.487 3.960 0.038 0.000 0.291 131 G C -1.648 173.415 174.900 0.272 0.000 1.445 131 G CA -0.603 44.616 45.100 0.199 0.000 0.814 131 G HN 0.508 nan 8.290 nan 0.000 0.495 132 S N -1.085 114.729 115.700 0.189 0.000 2.536 132 S HA 0.905 5.398 4.470 0.038 0.000 0.287 132 S C -0.206 174.416 174.600 0.038 0.000 1.101 132 S CA -0.165 58.201 58.200 0.278 0.000 0.950 132 S CB 1.815 65.282 63.200 0.445 0.000 1.056 132 S HN 1.661 nan 8.310 nan 0.000 0.481 133 A N 1.332 124.141 122.820 -0.019 0.000 2.515 133 A HA 1.023 5.366 4.320 0.038 0.000 0.296 133 A C -0.984 176.398 177.584 -0.338 0.000 1.094 133 A CA -0.732 51.061 52.037 -0.407 0.000 0.718 133 A CB 1.626 20.221 19.000 -0.674 0.000 1.307 133 A HN 1.409 nan 8.150 nan 0.000 0.408 134 A N 0.751 123.209 122.820 -0.603 0.000 2.604 134 A HA 0.713 5.056 4.320 0.038 0.000 0.295 134 A C -1.169 176.213 177.584 -0.337 0.000 1.067 134 A CA -0.642 51.210 52.037 -0.308 0.000 0.683 134 A CB 0.792 19.695 19.000 -0.161 0.000 1.281 134 A HN 0.878 nan 8.150 nan 0.000 0.407 135 H N -0.185 118.901 119.070 0.026 0.000 2.505 135 H HA 0.678 5.258 4.556 0.040 0.000 0.351 135 H C 0.630 175.952 175.328 -0.008 0.000 1.151 135 H CA 0.991 57.111 56.048 0.120 0.000 1.339 135 H CB 1.855 31.681 29.762 0.107 0.000 1.483 135 H HN 1.130 nan 8.280 nan 0.000 0.558 136 G N 0.863 109.759 108.800 0.160 0.000 2.578 136 G HA2 0.378 4.361 3.960 0.038 0.000 0.302 136 G HA3 0.378 4.361 3.960 0.038 0.000 0.302 136 G C -1.994 173.040 174.900 0.224 0.000 1.243 136 G CA -0.652 44.505 45.100 0.094 0.000 0.843 136 G HN 0.619 nan 8.290 nan 0.000 0.486 137 Y N -1.828 118.508 120.300 0.060 0.000 2.597 137 Y HA 0.828 5.401 4.550 0.038 0.000 0.340 137 Y C -1.778 174.259 175.900 0.228 0.000 1.097 137 Y CA -1.907 56.275 58.100 0.137 0.000 1.037 137 Y CB 1.906 40.421 38.460 0.093 0.000 1.305 137 Y HN 0.758 nan 8.280 nan 0.000 0.463 138 F N 2.236 122.334 119.950 0.247 0.000 2.563 138 F HA 0.709 5.261 4.527 0.041 0.000 0.316 138 F C -1.173 174.840 175.800 0.356 0.000 1.076 138 F CA -0.600 57.558 58.000 0.263 0.000 0.921 138 F CB 2.348 41.646 39.000 0.497 0.000 1.209 138 F HN 0.792 nan 8.300 nan 0.000 0.462 139 Q N 6.474 125.759 119.800 -0.858 0.000 2.284 139 Q HA 0.470 4.833 4.340 0.038 0.000 0.269 139 Q C -2.913 172.533 176.000 -0.924 0.000 1.026 139 Q CA -2.339 53.132 55.803 -0.552 0.000 0.831 139 Q CB 2.954 31.650 28.738 -0.070 0.000 1.322 139 Q HN 0.335 nan 8.270 nan 0.000 0.419 140 P HA 0.047 nan 4.420 nan 0.000 0.274 140 P C -0.579 176.645 177.300 -0.128 0.000 1.237 140 P CA 0.192 63.091 63.100 -0.335 0.000 0.793 140 P CB 0.412 32.069 31.700 -0.072 0.000 0.977 141 Y N 0.374 120.625 120.300 -0.081 0.000 2.475 141 Y HA -0.010 4.564 4.550 0.040 0.000 0.289 141 Y C 1.353 177.233 175.900 -0.033 0.000 1.121 141 Y CA 0.217 58.288 58.100 -0.048 0.000 1.257 141 Y CB 0.314 38.753 38.460 -0.034 0.000 1.026 141 Y HN 0.357 nan 8.280 nan 0.000 0.555 142 K N -1.329 119.140 120.400 0.115 0.000 2.615 142 K HA 0.332 4.675 4.320 0.038 0.000 0.291 142 K C -1.065 175.547 176.600 0.020 0.000 1.017 142 K CA -0.939 55.384 56.287 0.059 0.000 0.882 142 K CB 1.296 33.831 32.500 0.057 0.000 1.522 142 K HN -0.262 nan 8.250 nan 0.000 0.412 143 S N 0.676 116.383 115.700 0.012 0.000 2.533 143 S HA 0.198 4.691 4.470 0.038 0.000 0.282 143 S C 0.396 174.989 174.600 -0.011 0.000 1.304 143 S CA -0.698 57.499 58.200 -0.005 0.000 1.063 143 S CB -0.190 63.009 63.200 -0.001 0.000 0.881 143 S HN 0.532 nan 8.310 nan 0.000 0.493 144 L N 4.717 125.922 121.223 -0.029 0.000 2.791 144 L HA 0.161 4.524 4.340 0.038 0.000 0.239 144 L C 1.701 178.555 176.870 -0.027 0.000 1.203 144 L CA -0.202 54.626 54.840 -0.019 0.000 1.002 144 L CB -0.170 41.883 42.059 -0.010 0.000 1.295 144 L HN 0.620 nan 8.230 nan 0.000 0.504 145 S N -0.165 115.517 115.700 -0.029 0.000 2.440 145 S HA -0.169 4.324 4.470 0.038 0.000 0.238 145 S C 1.285 175.868 174.600 -0.030 0.000 1.010 145 S CA 1.141 59.321 58.200 -0.033 0.000 0.972 145 S CB -0.124 63.062 63.200 -0.024 0.000 0.774 145 S HN 0.476 nan 8.310 nan 0.000 0.501 146 D N 1.671 122.059 120.400 -0.020 0.000 2.218 146 D HA -0.046 4.617 4.640 0.038 0.000 0.204 146 D C 1.749 178.031 176.300 -0.030 0.000 0.976 146 D CA 0.988 54.976 54.000 -0.019 0.000 0.853 146 D CB -0.146 40.648 40.800 -0.009 0.000 0.939 146 D HN 0.666 nan 8.370 nan 0.000 0.481 147 I N -4.364 116.189 120.570 -0.029 0.000 4.139 147 I HA 0.223 4.416 4.170 0.038 0.000 0.320 147 I C 0.457 176.528 176.117 -0.077 0.000 1.290 147 I CA 0.003 61.275 61.300 -0.046 0.000 1.253 147 I CB 1.137 39.129 38.000 -0.014 0.000 1.122 147 I HN -0.248 nan 8.210 nan 0.000 0.421 148 T N 1.641 116.152 114.554 -0.071 0.000 2.956 148 T HA 0.317 4.690 4.350 0.038 0.000 0.312 148 T C -0.121 174.522 174.700 -0.095 0.000 1.151 148 T CA -0.726 61.312 62.100 -0.105 0.000 1.024 148 T CB 1.763 70.556 68.868 -0.125 0.000 1.140 148 T HN 0.421 nan 8.240 nan 0.000 0.473 149 K N 2.490 122.832 120.400 -0.096 0.000 2.437 149 K HA 0.563 4.906 4.320 0.038 0.000 0.198 149 K C 0.673 177.230 176.600 -0.071 0.000 1.024 149 K CA -0.374 55.869 56.287 -0.073 0.000 1.148 149 K CB 0.190 32.653 32.500 -0.061 0.000 0.860 149 K HN 0.486 nan 8.250 nan 0.000 0.515 150 A N 2.088 124.841 122.820 -0.112 0.000 2.522 150 A HA -0.049 4.294 4.320 0.038 0.000 0.256 150 A C 0.591 178.133 177.584 -0.071 0.000 1.086 150 A CA 0.041 52.020 52.037 -0.097 0.000 0.763 150 A CB 0.062 18.948 19.000 -0.190 0.000 1.024 150 A HN 0.489 nan 8.150 nan 0.000 0.502 151 D N 2.311 122.743 120.400 0.054 0.000 2.144 151 D HA -0.233 4.430 4.640 0.038 0.000 0.199 151 D C 1.337 177.703 176.300 0.110 0.000 0.984 151 D CA 2.216 56.261 54.000 0.076 0.000 0.834 151 D CB -0.246 40.623 40.800 0.115 0.000 0.955 151 D HN 0.735 nan 8.370 nan 0.000 0.465 152 F N -0.656 119.318 119.950 0.040 0.000 2.546 152 F HA 0.148 4.699 4.527 0.040 0.000 0.298 152 F C 1.083 176.974 175.800 0.152 0.000 1.120 152 F CA 0.389 58.456 58.000 0.112 0.000 1.456 152 F CB -0.258 38.814 39.000 0.120 0.000 1.088 152 F HN -0.060 nan 8.300 nan 0.000 0.572 153 L N 0.836 121.749 121.223 -0.516 0.000 2.818 153 L HA 0.191 4.554 4.340 0.038 0.000 0.243 153 L C 1.836 178.616 176.870 -0.151 0.000 1.185 153 L CA 0.311 54.916 54.840 -0.392 0.000 0.988 153 L CB -0.142 41.577 42.059 -0.566 0.000 1.292 153 L HN 0.323 nan 8.230 nan 0.000 0.519 154 S N -2.785 112.871 115.700 -0.073 0.000 2.503 154 S HA 0.074 4.567 4.470 0.038 0.000 0.217 154 S C 0.484 175.081 174.600 -0.004 0.000 0.999 154 S CA -0.192 57.989 58.200 -0.033 0.000 0.914 154 S CB 0.364 63.557 63.200 -0.010 0.000 0.782 154 S HN 0.339 nan 8.310 nan 0.000 0.520 155 D N 0.576 120.984 120.400 0.013 0.000 2.886 155 D HA 0.251 4.914 4.640 0.038 0.000 0.216 155 D C -2.567 173.752 176.300 0.032 0.000 1.256 155 D CA -1.556 52.459 54.000 0.025 0.000 0.844 155 D CB 2.378 43.198 40.800 0.034 0.000 1.669 155 D HN -0.172 nan 8.370 nan 0.000 0.513 156 P HA -0.119 nan 4.420 nan 0.000 0.223 156 P C 0.805 178.130 177.300 0.042 0.000 1.144 156 P CA 0.946 64.067 63.100 0.035 0.000 0.783 156 P CB -0.116 31.614 31.700 0.050 0.000 0.771 157 N N -0.661 118.065 118.700 0.045 0.000 2.515 157 N HA -0.063 4.700 4.740 0.038 0.000 0.185 157 N C 0.721 176.271 175.510 0.067 0.000 1.109 157 N CA -0.197 52.882 53.050 0.049 0.000 0.903 157 N CB -0.230 38.281 38.487 0.039 0.000 0.969 157 N HN 0.003 nan 8.380 nan 0.000 0.450 158 K N 1.547 121.999 120.400 0.087 0.000 2.310 158 K HA 0.267 4.610 4.320 0.038 0.000 0.290 158 K C -0.814 175.892 176.600 0.176 0.000 1.077 158 K CA -0.272 56.096 56.287 0.134 0.000 0.922 158 K CB 0.691 33.288 32.500 0.163 0.000 1.057 158 K HN 0.171 nan 8.250 nan 0.000 0.479 159 I N 3.600 124.271 120.570 0.169 0.000 2.315 159 I HA 0.131 4.324 4.170 0.038 0.000 0.291 159 I C -0.122 176.170 176.117 0.292 0.000 1.006 159 I CA -0.432 60.998 61.300 0.217 0.000 1.265 159 I CB 1.784 39.853 38.000 0.115 0.000 1.387 159 I HN 0.489 nan 8.210 nan 0.000 0.475 160 T N 7.573 122.388 114.554 0.436 0.000 2.756 160 T HA 0.331 4.704 4.350 0.038 0.000 0.290 160 T C -2.420 172.541 174.700 0.435 0.000 0.985 160 T CA -1.408 60.974 62.100 0.469 0.000 0.955 160 T CB 1.278 70.538 68.868 0.653 0.000 0.930 160 T HN 0.250 nan 8.240 nan 0.000 0.451 161 P HA 0.239 nan 4.420 nan 0.000 0.269 161 P C -0.632 176.906 177.300 0.397 0.000 1.209 161 P CA -0.394 62.900 63.100 0.323 0.000 0.776 161 P CB 0.517 32.334 31.700 0.194 0.000 0.876 162 V N -0.571 119.519 119.914 0.294 0.000 3.078 162 V HA 0.742 4.885 4.120 0.038 0.000 0.311 162 V C -1.341 174.906 176.094 0.255 0.000 1.138 162 V CA -0.937 61.437 62.300 0.124 0.000 1.007 162 V CB 2.278 33.948 31.823 -0.255 0.000 1.045 162 V HN 0.337 nan 8.190 nan 0.000 0.432 163 F N 1.964 121.892 119.950 -0.036 0.000 2.536 163 F HA 0.842 5.390 4.527 0.035 0.000 0.322 163 F C -0.959 174.744 175.800 -0.162 0.000 1.144 163 F CA -0.784 57.139 58.000 -0.129 0.000 0.924 163 F CB 1.953 40.912 39.000 -0.069 0.000 1.181 163 F HN 0.519 nan 8.300 nan 0.000 0.438 164 V N 6.647 126.097 119.914 -0.773 0.000 2.495 164 V HA 0.582 4.725 4.120 0.038 0.000 0.298 164 V C -0.666 174.757 176.094 -1.117 0.000 1.031 164 V CA -0.827 60.947 62.300 -0.877 0.000 0.871 164 V CB 1.942 33.177 31.823 -0.980 0.000 0.988 164 V HN 0.741 nan 8.190 nan 0.000 0.432 165 R N 3.651 123.493 120.500 -1.098 0.000 2.480 165 R HA 0.616 4.979 4.340 0.038 0.000 0.306 165 R C -1.653 174.064 176.300 -0.973 0.000 0.958 165 R CA -0.432 55.126 56.100 -0.903 0.000 0.861 165 R CB 1.175 31.102 30.300 -0.620 0.000 1.171 165 R HN 0.545 nan 8.270 nan 0.000 0.445 166 F N 2.060 121.600 119.950 -0.684 0.000 2.425 166 F HA 0.505 5.056 4.527 0.039 0.000 0.331 166 F C 0.448 175.894 175.800 -0.591 0.000 1.085 166 F CA -0.239 57.236 58.000 -0.874 0.000 1.028 166 F CB 2.154 40.138 39.000 -1.693 0.000 1.177 166 F HN 0.602 nan 8.300 nan 0.000 0.487 167 S N -0.809 114.820 115.700 -0.118 0.000 2.596 167 S HA 0.661 5.154 4.470 0.038 0.000 0.270 167 S C -0.500 174.238 174.600 0.230 0.000 1.155 167 S CA -0.834 57.439 58.200 0.121 0.000 0.827 167 S CB 1.448 64.774 63.200 0.211 0.000 1.130 167 S HN 0.712 nan 8.310 nan 0.000 0.467 168 T N -1.341 113.346 114.554 0.223 0.000 2.924 168 T HA 0.670 5.043 4.350 0.038 0.000 0.301 168 T C 0.799 175.468 174.700 -0.051 0.000 1.120 168 T CA -0.023 62.167 62.100 0.151 0.000 0.940 168 T CB 0.144 69.108 68.868 0.159 0.000 1.591 168 T HN 0.629 nan 8.240 nan 0.000 0.578 169 V N -0.220 119.627 119.914 -0.113 0.000 3.029 169 V HA 0.145 4.288 4.120 0.038 0.000 0.230 169 V C 2.693 178.723 176.094 -0.106 0.000 1.254 169 V CA 0.278 62.390 62.300 -0.314 0.000 1.276 169 V CB -0.202 31.517 31.823 -0.174 0.000 1.080 169 V HN 0.857 nan 8.190 nan 0.000 0.495 170 Q N 1.181 120.952 119.800 -0.047 0.000 2.062 170 Q HA 0.067 4.430 4.340 0.038 0.000 0.196 170 Q C 1.246 177.230 176.000 -0.027 0.000 0.967 170 Q CA 1.431 57.204 55.803 -0.049 0.000 0.832 170 Q CB -0.192 28.501 28.738 -0.074 0.000 0.899 170 Q HN 0.582 nan 8.270 nan 0.000 0.442 171 G N -0.043 108.754 108.800 -0.006 0.000 2.539 171 G HA2 0.409 4.392 3.960 0.038 0.000 0.258 171 G HA3 0.409 4.392 3.960 0.038 0.000 0.258 171 G C 0.153 175.065 174.900 0.021 0.000 1.202 171 G CA 0.052 45.152 45.100 0.001 0.000 0.851 171 G HN 0.336 nan 8.290 nan 0.000 0.556 172 G N -0.808 107.999 108.800 0.012 0.000 2.683 172 G HA2 0.450 4.433 3.960 0.038 0.000 0.260 172 G HA3 0.450 4.433 3.960 0.038 0.000 0.260 172 G C 1.384 176.319 174.900 0.057 0.000 1.238 172 G CA 0.435 45.553 45.100 0.030 0.000 0.934 172 G HN 1.100 nan 8.290 nan 0.000 0.534 173 A N -0.820 122.044 122.820 0.074 0.000 2.070 173 A HA 0.143 4.486 4.320 0.038 0.000 0.220 173 A C 2.172 179.800 177.584 0.074 0.000 1.159 173 A CA 1.928 54.029 52.037 0.107 0.000 0.656 173 A CB -0.324 18.754 19.000 0.130 0.000 0.800 173 A HN 1.163 nan 8.150 nan 0.000 0.453 174 G N -0.066 108.758 108.800 0.039 0.000 3.523 174 G HA2 0.359 4.342 3.960 0.038 0.000 0.270 174 G HA3 0.359 4.342 3.960 0.038 0.000 0.270 174 G C 0.589 175.494 174.900 0.007 0.000 1.134 174 G CA 0.607 45.714 45.100 0.013 0.000 0.825 174 G HN 0.613 nan 8.290 nan 0.000 0.534 175 S N -0.272 115.441 115.700 0.021 0.000 2.661 175 S HA 0.756 5.249 4.470 0.038 0.000 0.265 175 S C 0.448 175.064 174.600 0.026 0.000 1.225 175 S CA -0.143 58.066 58.200 0.014 0.000 0.986 175 S CB 1.675 64.886 63.200 0.018 0.000 1.008 175 S HN 0.552 nan 8.310 nan 0.000 0.565 176 A N 0.094 122.924 122.820 0.017 0.000 2.302 176 A HA 0.468 4.811 4.320 0.038 0.000 0.285 176 A C 0.539 178.141 177.584 0.031 0.000 1.105 176 A CA -0.623 51.419 52.037 0.008 0.000 0.816 176 A CB 0.017 19.005 19.000 -0.021 0.000 1.067 176 A HN 0.850 nan 8.150 nan 0.000 0.489 177 D N 0.417 120.822 120.400 0.009 0.000 2.120 177 D HA -0.059 4.604 4.640 0.038 0.000 0.202 177 D C 1.628 177.894 176.300 -0.056 0.000 0.972 177 D CA 2.256 56.268 54.000 0.021 0.000 0.837 177 D CB -0.285 40.486 40.800 -0.048 0.000 0.989 177 D HN 0.674 nan 8.370 nan 0.000 0.469 178 T N 0.095 114.533 114.554 -0.193 0.000 3.418 178 T HA 0.266 4.639 4.350 0.038 0.000 0.239 178 T C 0.840 175.520 174.700 -0.034 0.000 0.905 178 T CA -0.549 61.437 62.100 -0.191 0.000 0.929 178 T CB -1.080 67.610 68.868 -0.298 0.000 1.121 178 T HN -0.082 nan 8.240 nan 0.000 0.608 179 V N -1.310 118.636 119.914 0.053 0.000 3.319 179 V HA 0.429 4.572 4.120 0.038 0.000 0.303 179 V C 0.748 176.983 176.094 0.234 0.000 1.094 179 V CA -1.455 60.926 62.300 0.135 0.000 1.106 179 V CB 0.449 32.343 31.823 0.119 0.000 1.099 179 V HN 0.558 nan 8.190 nan 0.000 0.476 180 R N 1.669 122.369 120.500 0.334 0.000 2.210 180 R HA 0.431 4.794 4.340 0.038 0.000 0.338 180 R C -1.043 175.340 176.300 0.140 0.000 1.062 180 R CA -0.064 56.185 56.100 0.249 0.000 0.902 180 R CB 0.027 30.426 30.300 0.165 0.000 1.050 180 R HN 1.040 nan 8.270 nan 0.000 0.461 181 D N 3.324 123.818 120.400 0.156 0.000 2.671 181 D HA 0.235 4.898 4.640 0.038 0.000 0.273 181 D C -0.478 175.935 176.300 0.188 0.000 1.264 181 D CA -0.624 53.458 54.000 0.136 0.000 0.788 181 D CB 1.337 42.209 40.800 0.121 0.000 1.324 181 D HN 0.222 nan 8.370 nan 0.000 0.424 182 I N 1.224 121.921 120.570 0.212 0.000 2.882 182 I HA 0.256 4.449 4.170 0.038 0.000 0.286 182 I C 0.834 177.087 176.117 0.226 0.000 1.139 182 I CA -0.092 61.345 61.300 0.227 0.000 1.379 182 I CB 0.098 38.261 38.000 0.271 0.000 1.410 182 I HN 0.239 nan 8.210 nan 0.000 0.594 183 R N 2.284 122.941 120.500 0.261 0.000 2.711 183 R HA 0.575 4.938 4.340 0.038 0.000 0.284 183 R C -0.073 176.416 176.300 0.316 0.000 0.968 183 R CA -0.751 55.519 56.100 0.283 0.000 0.924 183 R CB 1.518 32.008 30.300 0.317 0.000 1.162 183 R HN 0.810 nan 8.270 nan 0.000 0.465 184 G N 0.656 109.664 108.800 0.346 0.000 2.476 184 G HA2 0.497 4.480 3.960 0.038 0.000 0.286 184 G HA3 0.497 4.480 3.960 0.038 0.000 0.286 184 G C -1.281 173.719 174.900 0.166 0.000 1.177 184 G CA -0.026 45.260 45.100 0.309 0.000 0.870 184 G HN 0.348 nan 8.290 nan 0.000 0.528 185 F N 1.145 121.003 119.950 -0.153 0.000 3.228 185 F HA 0.608 5.156 4.527 0.036 0.000 0.385 185 F C -0.317 175.198 175.800 -0.475 0.000 1.247 185 F CA -1.696 56.107 58.000 -0.328 0.000 1.211 185 F CB 0.916 39.842 39.000 -0.124 0.000 1.719 185 F HN 0.688 nan 8.300 nan 0.000 0.630 186 A N 3.265 125.822 122.820 -0.437 0.000 2.303 186 A HA 0.807 5.150 4.320 0.038 0.000 0.320 186 A C -0.637 176.514 177.584 -0.721 0.000 1.192 186 A CA -0.456 51.158 52.037 -0.706 0.000 0.821 186 A CB 0.933 19.170 19.000 -1.271 0.000 1.188 186 A HN 0.521 nan 8.150 nan 0.000 0.492 187 T N 2.326 116.618 114.554 -0.435 0.000 2.840 187 T HA 0.376 4.749 4.350 0.038 0.000 0.287 187 T C -0.379 174.129 174.700 -0.320 0.000 0.991 187 T CA -0.483 61.355 62.100 -0.437 0.000 0.964 187 T CB 1.061 69.581 68.868 -0.580 0.000 0.954 187 T HN 0.637 nan 8.240 nan 0.000 0.438 188 K N 3.664 123.954 120.400 -0.182 0.000 2.264 188 K HA 0.418 4.761 4.320 0.038 0.000 0.277 188 K C -1.187 175.066 176.600 -0.577 0.000 1.067 188 K CA -0.575 55.494 56.287 -0.362 0.000 0.900 188 K CB 0.290 32.499 32.500 -0.484 0.000 1.124 188 K HN 0.394 nan 8.250 nan 0.000 0.469 189 F N 4.339 123.986 119.950 -0.504 0.000 2.404 189 F HA 0.206 4.754 4.527 0.035 0.000 0.358 189 F C -0.322 175.262 175.800 -0.360 0.000 1.120 189 F CA -0.509 57.259 58.000 -0.388 0.000 1.144 189 F CB 0.562 39.237 39.000 -0.542 0.000 1.133 189 F HN 0.442 nan 8.300 nan 0.000 0.495 190 Y N 1.886 122.242 120.300 0.094 0.000 2.632 190 Y HA 0.215 4.789 4.550 0.041 0.000 0.336 190 Y C 1.028 176.988 175.900 0.100 0.000 1.237 190 Y CA -0.876 57.264 58.100 0.066 0.000 1.595 190 Y CB -0.256 38.232 38.460 0.047 0.000 1.508 190 Y HN 0.540 nan 8.280 nan 0.000 0.480 191 T N -2.368 112.286 114.554 0.166 0.000 2.874 191 T HA 0.174 4.547 4.350 0.038 0.000 0.281 191 T C 0.953 175.752 174.700 0.165 0.000 0.994 191 T CA -0.746 61.459 62.100 0.174 0.000 1.015 191 T CB 1.097 70.044 68.868 0.131 0.000 1.028 191 T HN 0.649 nan 8.240 nan 0.000 0.523 192 E N 0.049 120.351 120.200 0.169 0.000 2.478 192 E HA -0.042 4.331 4.350 0.038 0.000 0.198 192 E C 0.966 177.635 176.600 0.116 0.000 1.046 192 E CA 0.662 57.142 56.400 0.133 0.000 0.870 192 E CB 0.106 29.880 29.700 0.123 0.000 0.818 192 E HN 0.729 nan 8.360 nan 0.000 0.527 193 E N 0.075 120.347 120.200 0.120 0.000 2.734 193 E HA 0.259 4.632 4.350 0.038 0.000 0.211 193 E C 0.119 176.771 176.600 0.086 0.000 0.991 193 E CA -0.225 56.236 56.400 0.103 0.000 1.065 193 E CB 1.377 31.139 29.700 0.105 0.000 1.047 193 E HN 0.176 nan 8.360 nan 0.000 0.470 194 G N 1.236 110.082 108.800 0.077 0.000 2.362 194 G HA2 -0.097 3.886 3.960 0.038 0.000 0.656 194 G HA3 -0.097 3.886 3.960 0.038 0.000 0.656 194 G C -0.878 174.037 174.900 0.025 0.000 1.376 194 G CA -1.133 43.991 45.100 0.039 0.000 0.971 194 G HN 0.018 nan 8.290 nan 0.000 0.636 195 I N 0.847 121.396 120.570 -0.035 0.000 2.598 195 I HA 0.303 4.496 4.170 0.038 0.000 0.284 195 I C 0.152 176.287 176.117 0.030 0.000 1.140 195 I CA 0.184 61.436 61.300 -0.081 0.000 1.420 195 I CB 0.487 38.371 38.000 -0.194 0.000 1.387 195 I HN 0.457 nan 8.210 nan 0.000 0.553 196 F N 7.016 126.865 119.950 -0.169 0.000 2.449 196 F HA 0.446 4.995 4.527 0.037 0.000 0.342 196 F C -0.541 175.221 175.800 -0.064 0.000 1.127 196 F CA -1.280 56.620 58.000 -0.167 0.000 0.975 196 F CB 0.784 39.543 39.000 -0.401 0.000 1.146 196 F HN 0.346 nan 8.300 nan 0.000 0.444 197 D N 6.606 126.837 120.400 -0.280 0.000 2.280 197 D HA 0.245 4.908 4.640 0.038 0.000 0.236 197 D C -1.002 174.851 176.300 -0.745 0.000 1.082 197 D CA -0.140 53.624 54.000 -0.393 0.000 0.834 197 D CB 2.139 42.893 40.800 -0.077 0.000 1.100 197 D HN 0.473 nan 8.370 nan 0.000 0.486 198 L N 4.052 124.764 121.223 -0.851 0.000 2.264 198 L HA 0.283 4.646 4.340 0.038 0.000 0.287 198 L C -1.050 175.586 176.870 -0.391 0.000 1.039 198 L CA -0.624 53.789 54.840 -0.710 0.000 0.829 198 L CB 1.096 42.738 42.059 -0.695 0.000 1.211 198 L HN 0.076 nan 8.230 nan 0.000 0.427 199 V N 6.111 125.838 119.914 -0.311 0.000 2.257 199 V HA 0.736 4.879 4.120 0.038 0.000 0.269 199 V C 0.739 176.729 176.094 -0.173 0.000 1.040 199 V CA -0.095 62.034 62.300 -0.285 0.000 0.813 199 V CB 0.397 32.005 31.823 -0.358 0.000 1.065 199 V HN 0.866 nan 8.190 nan 0.000 0.457 200 G N 3.309 112.022 108.800 -0.144 0.000 2.932 200 G HA2 0.687 4.670 3.960 0.038 0.000 0.283 200 G HA3 0.687 4.670 3.960 0.038 0.000 0.283 200 G C -0.958 173.972 174.900 0.051 0.000 1.336 200 G CA -0.595 44.480 45.100 -0.042 0.000 1.056 200 G HN 0.481 nan 8.290 nan 0.000 0.522 201 N N -1.095 117.682 118.700 0.128 0.000 2.761 201 N HA 0.251 5.014 4.740 0.038 0.000 0.283 201 N C 0.408 176.109 175.510 0.318 0.000 1.377 201 N CA -0.760 52.426 53.050 0.228 0.000 0.791 201 N CB 1.351 39.956 38.487 0.197 0.000 1.540 201 N HN 0.518 nan 8.380 nan 0.000 0.539 202 N N -1.313 117.589 118.700 0.338 0.000 2.314 202 N HA -0.005 4.758 4.740 0.038 0.000 0.200 202 N C -0.469 175.307 175.510 0.443 0.000 1.135 202 N CA -0.041 53.263 53.050 0.423 0.000 0.835 202 N CB -0.196 38.516 38.487 0.373 0.000 0.989 202 N HN 0.556 nan 8.380 nan 0.000 0.478 203 T N -3.952 110.686 114.554 0.140 0.000 2.906 203 T HA 0.466 4.839 4.350 0.038 0.000 0.295 203 T C -2.611 171.455 174.700 -1.057 0.000 1.075 203 T CA -1.603 60.133 62.100 -0.605 0.000 1.005 203 T CB 2.878 71.283 68.868 -0.772 0.000 1.136 203 T HN -0.245 nan 8.240 nan 0.000 0.498 204 P HA 0.213 nan 4.420 nan 0.000 0.249 204 P C 0.413 177.201 177.300 -0.852 0.000 1.229 204 P CA 0.079 62.288 63.100 -1.485 0.000 0.788 204 P CB -0.052 30.752 31.700 -1.494 0.000 1.072 205 I N -4.686 115.358 120.570 -0.876 0.000 3.343 205 I HA 0.545 4.738 4.170 0.038 0.000 0.315 205 I C -1.318 174.534 176.117 -0.441 0.000 1.153 205 I CA -1.850 59.084 61.300 -0.609 0.000 0.952 205 I CB 1.390 38.980 38.000 -0.682 0.000 1.287 205 I HN -0.249 nan 8.210 nan 0.000 0.472 206 F N 0.132 119.801 119.950 -0.468 0.000 2.613 206 F HA 0.516 5.072 4.527 0.048 0.000 0.342 206 F C 0.387 175.944 175.800 -0.405 0.000 1.066 206 F CA -0.710 57.047 58.000 -0.405 0.000 1.002 206 F CB 1.904 40.798 39.000 -0.176 0.000 1.319 206 F HN 0.373 nan 8.300 nan 0.000 0.495 207 F N 1.984 121.105 119.950 -1.383 0.000 2.367 207 F HA 0.082 4.629 4.527 0.034 0.000 0.298 207 F C 0.659 176.163 175.800 -0.493 0.000 1.094 207 F CA 0.667 58.071 58.000 -0.993 0.000 1.409 207 F CB -0.039 37.961 39.000 -1.667 0.000 1.064 207 F HN 0.128 nan 8.300 nan 0.000 0.528 208 I N -3.201 117.352 120.570 -0.028 0.000 3.002 208 I HA 0.365 4.558 4.170 0.038 0.000 0.310 208 I C 0.381 176.656 176.117 0.265 0.000 1.087 208 I CA -0.819 60.586 61.300 0.175 0.000 1.017 208 I CB 1.944 40.110 38.000 0.276 0.000 1.226 208 I HN -0.150 nan 8.210 nan 0.000 0.443 209 Q N 0.438 120.387 119.800 0.248 0.000 2.259 209 Q HA 0.125 4.488 4.340 0.038 0.000 0.201 209 Q C -0.296 175.880 176.000 0.293 0.000 0.938 209 Q CA 0.695 56.683 55.803 0.308 0.000 0.872 209 Q CB 0.455 29.434 28.738 0.401 0.000 0.971 209 Q HN 0.647 nan 8.270 nan 0.000 0.494 210 D N -1.204 119.340 120.400 0.241 0.000 2.505 210 D HA 0.300 4.963 4.640 0.038 0.000 0.249 210 D C 0.057 176.484 176.300 0.211 0.000 1.082 210 D CA -0.182 53.930 54.000 0.186 0.000 0.839 210 D CB 1.837 42.719 40.800 0.136 0.000 1.317 210 D HN 0.049 nan 8.370 nan 0.000 0.497 211 A N 3.412 126.325 122.820 0.156 0.000 2.032 211 A HA -0.261 4.082 4.320 0.038 0.000 0.221 211 A C 1.812 179.515 177.584 0.198 0.000 1.165 211 A CA 1.859 53.982 52.037 0.144 0.000 0.645 211 A CB -0.811 18.217 19.000 0.047 0.000 0.807 211 A HN 0.822 nan 8.150 nan 0.000 0.453 212 H N -0.018 119.111 119.070 0.097 0.000 2.457 212 H HA -0.022 4.560 4.556 0.043 0.000 0.297 212 H C 1.541 176.949 175.328 0.133 0.000 1.092 212 H CA 1.912 58.011 56.048 0.085 0.000 1.309 212 H CB 0.029 29.818 29.762 0.045 0.000 1.382 212 H HN 0.428 nan 8.280 nan 0.000 0.535 213 K N -0.590 119.933 120.400 0.205 0.000 2.444 213 K HA -0.034 4.309 4.320 0.038 0.000 0.193 213 K C 1.335 178.075 176.600 0.234 0.000 1.024 213 K CA -0.014 56.390 56.287 0.195 0.000 1.077 213 K CB 0.056 32.727 32.500 0.284 0.000 0.833 213 K HN 0.292 nan 8.250 nan 0.000 0.517 214 F N 2.852 122.853 119.950 0.086 0.000 2.126 214 F HA -0.139 4.397 4.527 0.015 0.000 0.299 214 F C -1.036 174.781 175.800 0.027 0.000 1.096 214 F CA 1.295 59.373 58.000 0.130 0.000 1.255 214 F CB -0.400 38.659 39.000 0.098 0.000 0.997 214 F HN 0.019 nan 8.300 nan 0.000 0.479 215 P HA -0.134 nan 4.420 nan 0.000 0.218 215 P C 0.992 177.954 177.300 -0.562 0.000 1.149 215 P CA 1.680 64.543 63.100 -0.395 0.000 0.817 215 P CB -0.043 31.452 31.700 -0.341 0.000 0.785 216 D N -1.324 118.907 120.400 -0.282 0.000 2.084 216 D HA -0.150 4.513 4.640 0.038 0.000 0.196 216 D C 1.791 177.813 176.300 -0.464 0.000 0.985 216 D CA 1.055 54.933 54.000 -0.204 0.000 0.826 216 D CB -0.846 40.016 40.800 0.105 0.000 0.978 216 D HN 0.158 nan 8.370 nan 0.000 0.456 217 F N 1.811 121.360 119.950 -0.668 0.000 2.102 217 F HA -0.226 4.318 4.527 0.028 0.000 0.298 217 F C 2.267 177.679 175.800 -0.647 0.000 1.105 217 F CA 1.157 58.562 58.000 -0.992 0.000 1.239 217 F CB -0.209 38.445 39.000 -0.576 0.000 0.991 217 F HN -0.250 nan 8.300 nan 0.000 0.474 218 V N 0.461 119.949 119.914 -0.710 0.000 2.295 218 V HA -0.347 3.796 4.120 0.038 0.000 0.246 218 V C 2.297 178.170 176.094 -0.369 0.000 1.049 218 V CA 2.493 64.418 62.300 -0.626 0.000 1.024 218 V CB -1.055 30.422 31.823 -0.578 0.000 0.648 218 V HN 0.474 nan 8.190 nan 0.000 0.447 219 H N -0.266 118.584 119.070 -0.367 0.000 2.387 219 H HA -0.158 4.421 4.556 0.039 0.000 0.299 219 H C 2.319 177.496 175.328 -0.250 0.000 1.099 219 H CA 1.057 56.965 56.048 -0.233 0.000 1.315 219 H CB -0.008 29.666 29.762 -0.148 0.000 1.380 219 H HN 0.492 nan 8.280 nan 0.000 0.513 220 A N 0.474 123.120 122.820 -0.290 0.000 1.933 220 A HA -0.122 4.221 4.320 0.038 0.000 0.218 220 A C 2.537 179.962 177.584 -0.265 0.000 1.175 220 A CA 1.443 53.298 52.037 -0.302 0.000 0.628 220 A CB -0.738 17.954 19.000 -0.514 0.000 0.814 220 A HN 0.305 nan 8.150 nan 0.000 0.444 221 V N -0.134 119.491 119.914 -0.482 0.000 2.591 221 V HA -0.020 4.123 4.120 0.038 0.000 0.249 221 V C 0.937 176.996 176.094 -0.058 0.000 1.053 221 V CA 0.884 62.971 62.300 -0.355 0.000 1.068 221 V CB -0.468 30.940 31.823 -0.691 0.000 0.689 221 V HN 0.355 nan 8.190 nan 0.000 0.462 222 K N 1.011 121.346 120.400 -0.109 0.000 2.286 222 K HA 0.170 4.513 4.320 0.038 0.000 0.256 222 K C -2.264 174.294 176.600 -0.069 0.000 0.999 222 K CA -1.429 54.812 56.287 -0.075 0.000 0.908 222 K CB -0.372 32.078 32.500 -0.085 0.000 0.981 222 K HN 0.200 nan 8.250 nan 0.000 0.500 223 P HA -0.025 nan 4.420 nan 0.000 0.265 223 P C -0.501 176.744 177.300 -0.092 0.000 1.187 223 P CA 0.414 63.380 63.100 -0.224 0.000 0.766 223 P CB 0.380 31.956 31.700 -0.207 0.000 0.820 224 E N 4.876 125.071 120.200 -0.009 0.000 2.383 224 E HA 0.022 4.395 4.350 0.038 0.000 0.264 224 E C -1.258 175.438 176.600 0.159 0.000 1.050 224 E CA -1.395 55.109 56.400 0.173 0.000 0.896 224 E CB 0.189 30.126 29.700 0.394 0.000 0.982 224 E HN 0.425 nan 8.360 nan 0.000 0.424 225 P HA -0.194 nan 4.420 nan 0.000 0.222 225 P C 0.992 178.376 177.300 0.140 0.000 1.153 225 P CA 1.329 64.481 63.100 0.086 0.000 0.798 225 P CB 0.061 31.785 31.700 0.039 0.000 0.796 226 H N -0.548 118.567 119.070 0.076 0.000 2.326 226 H HA -0.095 4.483 4.556 0.037 0.000 0.301 226 H C 1.508 176.942 175.328 0.178 0.000 1.081 226 H CA 1.537 57.621 56.048 0.061 0.000 1.334 226 H CB -1.423 28.308 29.762 -0.051 0.000 1.385 226 H HN 0.320 nan 8.280 nan 0.000 0.504 227 W N -0.035 120.914 121.300 -0.586 0.000 2.870 227 W HA 0.694 5.376 4.660 0.036 0.000 0.358 227 W C 0.425 176.776 176.519 -0.280 0.000 1.043 227 W CA -0.994 56.112 57.345 -0.397 0.000 1.692 227 W CB -0.708 28.460 29.460 -0.486 0.000 1.100 227 W HN 0.452 nan 8.180 nan 0.000 0.557 228 A N 1.380 124.164 122.820 -0.060 0.000 2.667 228 A HA -0.144 4.199 4.320 0.038 0.000 0.298 228 A C -0.441 176.899 177.584 -0.406 0.000 1.483 228 A CA 1.445 53.373 52.037 -0.181 0.000 0.738 228 A CB -2.405 16.520 19.000 -0.125 0.000 1.067 228 A HN 0.465 nan 8.150 nan 0.000 0.451 229 I N 0.466 120.650 120.570 -0.643 0.000 2.686 229 I HA 0.559 4.752 4.170 0.038 0.000 0.295 229 I C -2.484 173.325 176.117 -0.513 0.000 1.114 229 I CA -2.372 58.461 61.300 -0.779 0.000 1.038 229 I CB 2.995 40.047 38.000 -1.581 0.000 1.238 229 I HN 0.210 nan 8.210 nan 0.000 0.420 230 P HA 0.318 nan 4.420 nan 0.000 0.289 230 P C -1.603 175.536 177.300 -0.269 0.000 1.293 230 P CA -0.874 62.010 63.100 -0.361 0.000 0.897 230 P CB 1.641 33.204 31.700 -0.229 0.000 1.166 231 Q N 0.611 120.299 119.800 -0.187 0.000 2.279 231 Q HA 0.491 4.854 4.340 0.038 0.000 0.256 231 Q C 1.083 177.044 176.000 -0.064 0.000 0.937 231 Q CA 1.050 56.779 55.803 -0.123 0.000 0.933 231 Q CB -0.335 28.342 28.738 -0.103 0.000 1.189 231 Q HN 0.826 nan 8.270 nan 0.000 0.417 232 G N 3.233 112.006 108.800 -0.045 0.000 2.143 232 G HA2 -0.274 3.709 3.960 0.038 0.000 0.248 232 G HA3 -0.274 3.709 3.960 0.038 0.000 0.248 232 G C -0.335 174.581 174.900 0.027 0.000 0.991 232 G CA 0.399 45.499 45.100 0.001 0.000 0.689 232 G HN 0.540 nan 8.290 nan 0.000 0.522 233 Q N -0.925 118.878 119.800 0.005 0.000 2.345 233 Q HA 0.576 4.939 4.340 0.038 0.000 0.275 233 Q C 0.745 176.762 176.000 0.028 0.000 1.063 233 Q CA -0.145 55.690 55.803 0.054 0.000 0.819 233 Q CB 1.834 30.649 28.738 0.129 0.000 1.356 233 Q HN 0.451 nan 8.270 nan 0.000 0.418 234 S N -0.588 115.033 115.700 -0.130 0.000 2.575 234 S HA 0.198 4.691 4.470 0.038 0.000 0.215 234 S C 0.908 175.429 174.600 -0.132 0.000 0.966 234 S CA 0.022 57.906 58.200 -0.527 0.000 0.911 234 S CB 0.334 62.719 63.200 -1.359 0.000 0.780 234 S HN 0.594 nan 8.310 nan 0.000 0.514 235 A N 2.236 125.197 122.820 0.235 0.000 3.077 235 A HA 0.513 4.856 4.320 0.038 0.000 0.255 235 A C 0.115 177.944 177.584 0.409 0.000 1.728 235 A CA -0.599 51.660 52.037 0.369 0.000 1.383 235 A CB -1.237 17.929 19.000 0.276 0.000 1.097 235 A HN 0.892 nan 8.150 nan 0.000 0.634 236 H N -4.083 115.188 119.070 0.336 0.000 3.017 236 H HA 0.520 5.097 4.556 0.036 0.000 0.346 236 H C -0.235 175.293 175.328 0.334 0.000 1.286 236 H CA -0.764 55.446 56.048 0.270 0.000 1.120 236 H CB 0.327 30.204 29.762 0.192 0.000 1.860 236 H HN 0.040 nan 8.280 nan 0.000 0.542 237 D N 0.267 120.843 120.400 0.293 0.000 2.116 237 D HA -0.218 4.445 4.640 0.038 0.000 0.193 237 D C 2.120 178.489 176.300 0.115 0.000 0.998 237 D CA 3.130 57.239 54.000 0.180 0.000 0.836 237 D CB -0.335 40.546 40.800 0.135 0.000 0.951 237 D HN 0.789 nan 8.370 nan 0.000 0.449 238 T N -1.774 112.845 114.554 0.108 0.000 2.821 238 T HA -0.175 4.198 4.350 0.038 0.000 0.267 238 T C 1.914 176.560 174.700 -0.091 0.000 1.046 238 T CA 0.609 62.735 62.100 0.044 0.000 1.139 238 T CB -0.705 68.234 68.868 0.119 0.000 0.871 238 T HN 0.154 nan 8.240 nan 0.000 0.454 239 F N 0.746 120.395 119.950 -0.501 0.000 2.102 239 F HA 0.075 4.623 4.527 0.034 0.000 0.298 239 F C 1.852 177.379 175.800 -0.455 0.000 1.105 239 F CA 0.753 58.376 58.000 -0.630 0.000 1.239 239 F CB -0.586 37.834 39.000 -0.966 0.000 0.991 239 F HN 0.157 nan 8.300 nan 0.000 0.474 240 W N 0.524 121.760 121.300 -0.106 0.000 2.467 240 W HA -0.089 4.598 4.660 0.045 0.000 0.275 240 W C 2.309 178.753 176.519 -0.126 0.000 1.239 240 W CA 0.950 58.224 57.345 -0.119 0.000 1.266 240 W CB -0.539 28.936 29.460 0.024 0.000 1.112 240 W HN 0.068 nan 8.180 nan 0.000 0.576 241 D N -0.573 119.872 120.400 0.076 0.000 2.084 241 D HA -0.295 4.368 4.640 0.038 0.000 0.194 241 D C 1.888 178.198 176.300 0.017 0.000 0.990 241 D CA 1.523 55.552 54.000 0.049 0.000 0.826 241 D CB -0.604 40.233 40.800 0.062 0.000 0.971 241 D HN 0.172 nan 8.370 nan 0.000 0.453 242 Y N 0.424 120.622 120.300 -0.170 0.000 2.128 242 Y HA -0.222 4.352 4.550 0.041 0.000 0.284 242 Y C 2.307 178.073 175.900 -0.224 0.000 1.154 242 Y CA 1.613 59.598 58.100 -0.193 0.000 1.149 242 Y CB -0.469 37.836 38.460 -0.259 0.000 0.976 242 Y HN -0.100 nan 8.280 nan 0.000 0.505 243 V N 0.088 119.894 119.914 -0.179 0.000 2.287 243 V HA -0.355 3.788 4.120 0.038 0.000 0.248 243 V C 2.614 178.657 176.094 -0.084 0.000 1.053 243 V CA 2.302 64.480 62.300 -0.204 0.000 1.027 243 V CB -1.206 30.384 31.823 -0.388 0.000 0.646 243 V HN 0.681 nan 8.190 nan 0.000 0.447 244 S N -0.272 115.426 115.700 -0.003 0.000 2.440 244 S HA -0.104 4.389 4.470 0.038 0.000 0.238 244 S C 1.677 176.249 174.600 -0.047 0.000 1.010 244 S CA 1.519 59.735 58.200 0.027 0.000 0.972 244 S CB -0.494 62.748 63.200 0.070 0.000 0.774 244 S HN 0.567 nan 8.310 nan 0.000 0.501 245 L N -0.088 121.059 121.223 -0.127 0.000 2.607 245 L HA 0.328 4.691 4.340 0.038 0.000 0.228 245 L C 0.561 177.262 176.870 -0.281 0.000 1.123 245 L CA 0.103 54.838 54.840 -0.175 0.000 0.890 245 L CB 0.048 42.003 42.059 -0.172 0.000 1.103 245 L HN 0.250 nan 8.230 nan 0.000 0.468 246 Q N 0.393 119.989 119.800 -0.341 0.000 3.244 246 Q HA 0.221 4.584 4.340 0.038 0.000 0.249 246 Q C -1.961 173.820 176.000 -0.364 0.000 0.951 246 Q CA -1.291 54.262 55.803 -0.416 0.000 0.740 246 Q CB 1.522 29.885 28.738 -0.625 0.000 1.334 246 Q HN 0.012 nan 8.270 nan 0.000 0.448 247 P HA -0.209 nan 4.420 nan 0.000 0.225 247 P C 0.926 177.896 177.300 -0.549 0.000 1.148 247 P CA 1.022 63.865 63.100 -0.428 0.000 0.779 247 P CB 0.282 31.729 31.700 -0.421 0.000 0.780 248 E N 0.859 120.593 120.200 -0.776 0.000 2.219 248 E HA -0.191 4.182 4.350 0.038 0.000 0.198 248 E C 1.514 178.047 176.600 -0.112 0.000 0.998 248 E CA 1.921 58.114 56.400 -0.345 0.000 0.818 248 E CB -1.399 28.197 29.700 -0.174 0.000 0.741 248 E HN 0.294 nan 8.360 nan 0.000 0.477 249 T N -0.620 113.878 114.554 -0.094 0.000 3.072 249 T HA 0.003 4.376 4.350 0.038 0.000 0.266 249 T C 1.931 176.688 174.700 0.095 0.000 1.127 249 T CA 0.445 62.562 62.100 0.028 0.000 1.107 249 T CB -0.295 68.616 68.868 0.072 0.000 0.910 249 T HN 0.152 nan 8.240 nan 0.000 0.513 250 L N -0.133 121.145 121.223 0.092 0.000 2.201 250 L HA -0.024 4.339 4.340 0.038 0.000 0.212 250 L C 2.819 179.850 176.870 0.268 0.000 1.105 250 L CA 1.521 56.489 54.840 0.213 0.000 0.775 250 L CB -0.659 41.531 42.059 0.218 0.000 0.913 250 L HN 0.491 nan 8.230 nan 0.000 0.440 251 H N -0.049 119.057 119.070 0.059 0.000 2.299 251 H HA -0.187 4.393 4.556 0.039 0.000 0.302 251 H C 2.135 177.452 175.328 -0.018 0.000 1.078 251 H CA 1.668 57.749 56.048 0.056 0.000 1.323 251 H CB 0.271 30.028 29.762 -0.008 0.000 1.381 251 H HN 0.344 nan 8.280 nan 0.000 0.498 252 N N -0.028 118.497 118.700 -0.291 0.000 2.244 252 N HA -0.130 4.633 4.740 0.038 0.000 0.183 252 N C 1.954 177.296 175.510 -0.281 0.000 1.016 252 N CA 0.734 53.390 53.050 -0.657 0.000 0.866 252 N CB 0.267 37.903 38.487 -1.419 0.000 0.980 252 N HN 0.132 nan 8.380 nan 0.000 0.430 253 V N 1.792 121.757 119.914 0.084 0.000 2.287 253 V HA -0.264 3.879 4.120 0.038 0.000 0.248 253 V C 2.521 178.753 176.094 0.230 0.000 1.053 253 V CA 1.292 63.791 62.300 0.331 0.000 1.027 253 V CB -0.363 31.710 31.823 0.418 0.000 0.646 253 V HN 0.392 nan 8.190 nan 0.000 0.447 254 M N -1.608 118.167 119.600 0.292 0.000 2.082 254 M HA -0.243 4.260 4.480 0.038 0.000 0.258 254 M C 2.074 178.373 176.300 -0.000 0.000 1.069 254 M CA 2.017 57.487 55.300 0.284 0.000 1.102 254 M CB -1.307 31.493 32.600 0.333 0.000 1.336 254 M HN 0.476 nan 8.290 nan 0.000 0.404 255 W N 0.484 121.518 121.300 -0.443 0.000 2.335 255 W HA -0.124 4.561 4.660 0.042 0.000 0.311 255 W C 2.846 179.300 176.519 -0.107 0.000 1.213 255 W CA 1.962 59.032 57.345 -0.459 0.000 1.274 255 W CB -1.135 27.981 29.460 -0.573 0.000 1.148 255 W HN 0.304 nan 8.180 nan 0.000 0.498 256 A N -0.792 122.110 122.820 0.137 0.000 1.969 256 A HA -0.169 4.174 4.320 0.038 0.000 0.218 256 A C 1.934 179.568 177.584 0.083 0.000 1.169 256 A CA 1.660 53.782 52.037 0.143 0.000 0.635 256 A CB -0.571 18.552 19.000 0.205 0.000 0.810 256 A HN 0.107 nan 8.150 nan 0.000 0.445 257 M N 0.680 120.285 119.600 0.008 0.000 2.419 257 M HA 0.018 4.521 4.480 0.038 0.000 0.264 257 M C 1.480 177.815 176.300 0.057 0.000 1.082 257 M CA 0.754 55.994 55.300 -0.099 0.000 1.119 257 M CB -1.393 30.876 32.600 -0.552 0.000 1.398 257 M HN 0.538 nan 8.290 nan 0.000 0.453 258 S N 0.517 116.312 115.700 0.158 0.000 2.596 258 S HA 0.038 4.531 4.470 0.038 0.000 0.260 258 S C 0.751 175.474 174.600 0.205 0.000 1.336 258 S CA -0.352 57.977 58.200 0.216 0.000 0.993 258 S CB 0.885 64.254 63.200 0.280 0.000 0.923 258 S HN 0.209 nan 8.310 nan 0.000 0.567 259 D N 0.458 120.997 120.400 0.233 0.000 2.351 259 D HA -0.028 4.635 4.640 0.038 0.000 0.216 259 D C 1.914 178.355 176.300 0.235 0.000 0.968 259 D CA 0.455 54.614 54.000 0.266 0.000 0.899 259 D CB -0.180 40.843 40.800 0.373 0.000 0.907 259 D HN 0.409 nan 8.370 nan 0.000 0.514 260 R N 0.241 120.869 120.500 0.214 0.000 2.139 260 R HA -0.094 4.269 4.340 0.038 0.000 0.243 260 R C 2.086 178.543 176.300 0.261 0.000 1.145 260 R CA 1.158 57.414 56.100 0.259 0.000 0.976 260 R CB -0.916 29.601 30.300 0.361 0.000 0.866 260 R HN 0.218 nan 8.270 nan 0.000 0.449 261 G N 1.128 110.069 108.800 0.234 0.000 2.744 261 G HA2 0.000 3.983 3.960 0.038 0.000 0.211 261 G HA3 0.000 3.983 3.960 0.038 0.000 0.211 261 G C 0.978 176.023 174.900 0.241 0.000 1.143 261 G CA 0.042 45.275 45.100 0.221 0.000 0.788 261 G HN 0.412 nan 8.290 nan 0.000 0.534 262 I N -1.779 118.942 120.570 0.253 0.000 2.925 262 I HA 0.361 4.554 4.170 0.038 0.000 0.296 262 I C -2.815 173.460 176.117 0.263 0.000 1.413 262 I CA -2.676 58.780 61.300 0.261 0.000 0.932 262 I CB 1.724 39.882 38.000 0.263 0.000 1.873 262 I HN -0.265 nan 8.210 nan 0.000 0.619 263 P HA 0.062 nan 4.420 nan 0.000 0.269 263 P C 0.571 178.025 177.300 0.255 0.000 1.209 263 P CA -0.174 63.044 63.100 0.196 0.000 0.776 263 P CB 1.287 33.038 31.700 0.085 0.000 0.876 264 R N 2.095 122.730 120.500 0.225 0.000 2.120 264 R HA -0.029 4.334 4.340 0.038 0.000 0.234 264 R C 0.415 176.862 176.300 0.245 0.000 1.123 264 R CA 1.501 57.777 56.100 0.292 0.000 0.975 264 R CB -0.432 30.010 30.300 0.236 0.000 0.866 264 R HN 0.559 nan 8.270 nan 0.000 0.446 265 S N -2.973 112.657 115.700 -0.116 0.000 2.558 265 S HA 0.197 4.690 4.470 0.038 0.000 0.277 265 S C -0.389 173.893 174.600 -0.531 0.000 1.143 265 S CA -0.859 57.102 58.200 -0.399 0.000 0.865 265 S CB 0.044 63.142 63.200 -0.170 0.000 1.102 265 S HN 0.105 nan 8.310 nan 0.000 0.454 266 Y N 2.408 122.306 120.300 -0.670 0.000 2.403 266 Y HA 0.050 4.624 4.550 0.040 0.000 0.291 266 Y C 2.367 177.898 175.900 -0.615 0.000 1.143 266 Y CA 1.150 58.718 58.100 -0.887 0.000 1.257 266 Y CB -0.271 37.252 38.460 -1.562 0.000 0.984 266 Y HN 0.564 nan 8.280 nan 0.000 0.550 267 R N -0.540 119.814 120.500 -0.242 0.000 2.235 267 R HA -0.029 4.334 4.340 0.038 0.000 0.213 267 R C 0.956 177.207 176.300 -0.082 0.000 1.059 267 R CA 1.486 57.501 56.100 -0.141 0.000 0.997 267 R CB -0.316 29.900 30.300 -0.141 0.000 0.884 267 R HN 0.340 nan 8.270 nan 0.000 0.462 268 T N -2.017 112.507 114.554 -0.050 0.000 3.355 268 T HA 0.345 4.718 4.350 0.038 0.000 0.276 268 T C 0.120 174.859 174.700 0.065 0.000 1.003 268 T CA -0.682 61.420 62.100 0.003 0.000 0.943 268 T CB -0.043 68.812 68.868 -0.021 0.000 1.158 268 T HN 0.061 nan 8.240 nan 0.000 0.513 269 M N -1.115 118.565 119.600 0.135 0.000 2.619 269 M HA 0.739 5.242 4.480 0.038 0.000 0.297 269 M C -1.173 175.318 176.300 0.318 0.000 1.229 269 M CA -0.849 54.576 55.300 0.207 0.000 0.860 269 M CB 2.220 34.935 32.600 0.193 0.000 1.741 269 M HN -0.140 nan 8.290 nan 0.000 0.462 270 E N 0.383 120.765 120.200 0.304 0.000 2.314 270 E HA 0.666 5.039 4.350 0.038 0.000 0.262 270 E C -0.325 176.364 176.600 0.149 0.000 1.093 270 E CA -0.473 56.046 56.400 0.198 0.000 0.908 270 E CB 1.762 31.523 29.700 0.102 0.000 1.091 270 E HN 0.855 nan 8.360 nan 0.000 0.425 271 G N 0.669 109.388 108.800 -0.134 0.000 2.533 271 G HA2 0.662 4.645 3.960 0.038 0.000 0.304 271 G HA3 0.662 4.645 3.960 0.038 0.000 0.304 271 G C -1.495 172.984 174.900 -0.702 0.000 1.263 271 G CA -0.504 44.497 45.100 -0.165 0.000 0.964 271 G HN 0.318 nan 8.290 nan 0.000 0.479 272 F N -0.910 118.989 119.950 -0.085 0.000 2.628 272 F HA 0.478 5.027 4.527 0.036 0.000 0.309 272 F C 1.034 176.738 175.800 -0.161 0.000 1.108 272 F CA -0.550 57.315 58.000 -0.225 0.000 0.971 272 F CB 2.450 41.270 39.000 -0.300 0.000 1.279 272 F HN 0.630 nan 8.300 nan 0.000 0.441 273 G N -0.383 108.467 108.800 0.084 0.000 2.848 273 G HA2 0.117 4.100 3.960 0.038 0.000 0.208 273 G HA3 0.117 4.100 3.960 0.038 0.000 0.208 273 G C 0.792 175.778 174.900 0.144 0.000 1.152 273 G CA 0.719 45.934 45.100 0.191 0.000 0.789 273 G HN 1.019 nan 8.290 nan 0.000 0.531 274 C N -1.568 117.702 119.300 -0.050 0.000 5.885 274 C HA -0.158 4.325 4.460 0.038 0.000 0.326 274 C C 0.731 175.444 174.990 -0.462 0.000 2.417 274 C CA 0.810 59.627 59.018 -0.334 0.000 2.180 274 C CB -1.985 25.449 27.740 -0.510 0.000 3.219 274 C HN 0.617 nan 8.230 nan 0.000 0.273 275 H N -0.240 118.868 119.070 0.064 0.000 2.797 275 H HA 0.447 5.025 4.556 0.037 0.000 0.372 275 H C -0.212 175.083 175.328 -0.055 0.000 1.168 275 H CA 0.007 56.005 56.048 -0.084 0.000 1.163 275 H CB 0.969 30.535 29.762 -0.327 0.000 1.778 275 H HN 0.251 nan 8.280 nan 0.000 0.551 276 T N 3.085 117.633 114.554 -0.009 0.000 2.817 276 T HA 0.162 4.535 4.350 0.038 0.000 0.295 276 T C 0.223 174.864 174.700 -0.098 0.000 0.958 276 T CA 0.364 62.441 62.100 -0.040 0.000 1.157 276 T CB -0.514 68.283 68.868 -0.118 0.000 0.898 276 T HN 0.189 nan 8.240 nan 0.000 0.536 277 F N 1.438 121.365 119.950 -0.038 0.000 2.544 277 F HA 0.651 5.198 4.527 0.034 0.000 0.378 277 F C 1.122 176.884 175.800 -0.063 0.000 1.112 277 F CA -1.330 56.665 58.000 -0.008 0.000 1.115 277 F CB 1.292 40.291 39.000 -0.003 0.000 1.436 277 F HN 0.197 nan 8.300 nan 0.000 0.496 278 R N 0.511 121.065 120.500 0.091 0.000 2.670 278 R HA 0.611 4.974 4.340 0.038 0.000 0.289 278 R C -1.560 174.623 176.300 -0.196 0.000 0.965 278 R CA -0.863 55.154 56.100 -0.140 0.000 0.899 278 R CB 1.900 32.043 30.300 -0.261 0.000 1.173 278 R HN 0.428 nan 8.270 nan 0.000 0.456 279 L N 3.648 124.705 121.223 -0.276 0.000 2.325 279 L HA 0.517 4.880 4.340 0.038 0.000 0.279 279 L C -0.321 176.382 176.870 -0.278 0.000 1.054 279 L CA -0.823 53.858 54.840 -0.264 0.000 0.804 279 L CB 1.035 42.939 42.059 -0.258 0.000 1.200 279 L HN 0.355 nan 8.230 nan 0.000 0.436 280 I N 2.317 122.746 120.570 -0.236 0.000 2.498 280 I HA 0.309 4.502 4.170 0.038 0.000 0.290 280 I C -0.315 175.706 176.117 -0.160 0.000 1.032 280 I CA -0.698 60.467 61.300 -0.225 0.000 1.073 280 I CB 1.532 39.406 38.000 -0.209 0.000 1.251 280 I HN 0.632 nan 8.210 nan 0.000 0.426 281 N N 4.509 123.130 118.700 -0.132 0.000 2.538 281 N HA 0.440 5.203 4.740 0.038 0.000 0.292 281 N C 0.785 176.250 175.510 -0.075 0.000 1.262 281 N CA -0.401 52.593 53.050 -0.094 0.000 0.976 281 N CB 0.515 38.956 38.487 -0.077 0.000 1.161 281 N HN 0.529 nan 8.380 nan 0.000 0.598 282 A N -0.471 122.315 122.820 -0.057 0.000 1.972 282 A HA -0.127 4.216 4.320 0.038 0.000 0.219 282 A C 1.515 179.076 177.584 -0.038 0.000 1.169 282 A CA 1.424 53.434 52.037 -0.045 0.000 0.635 282 A CB -0.851 18.129 19.000 -0.033 0.000 0.810 282 A HN 0.771 nan 8.150 nan 0.000 0.446 283 E N -1.275 118.904 120.200 -0.036 0.000 2.511 283 E HA 0.277 4.650 4.350 0.038 0.000 0.196 283 E C 1.190 177.777 176.600 -0.021 0.000 1.066 283 E CA 0.719 57.103 56.400 -0.026 0.000 0.871 283 E CB -0.198 29.488 29.700 -0.023 0.000 0.863 283 E HN 0.746 nan 8.360 nan 0.000 0.520 284 G N 1.423 110.205 108.800 -0.030 0.000 2.136 284 G HA2 -0.380 3.603 3.960 0.038 0.000 0.242 284 G HA3 -0.380 3.603 3.960 0.038 0.000 0.242 284 G C 0.229 175.137 174.900 0.013 0.000 0.989 284 G CA 0.403 45.501 45.100 -0.003 0.000 0.682 284 G HN 0.294 nan 8.290 nan 0.000 0.522 285 K N 0.566 120.936 120.400 -0.049 0.000 2.298 285 K HA 0.655 4.998 4.320 0.038 0.000 0.280 285 K C 0.542 176.995 176.600 -0.244 0.000 1.032 285 K CA 0.162 56.394 56.287 -0.091 0.000 0.958 285 K CB 0.568 33.019 32.500 -0.083 0.000 0.978 285 K HN 0.632 nan 8.250 nan 0.000 0.472 286 A N 3.283 125.841 122.820 -0.437 0.000 2.292 286 A HA 0.421 4.764 4.320 0.038 0.000 0.319 286 A C -0.811 176.444 177.584 -0.549 0.000 1.206 286 A CA -0.588 51.020 52.037 -0.714 0.000 0.835 286 A CB 1.202 19.277 19.000 -1.542 0.000 1.164 286 A HN 0.731 nan 8.150 nan 0.000 0.505 287 T N 2.375 116.651 114.554 -0.463 0.000 2.829 287 T HA 0.545 4.918 4.350 0.038 0.000 0.280 287 T C -0.565 173.904 174.700 -0.384 0.000 0.999 287 T CA -0.069 61.812 62.100 -0.365 0.000 0.983 287 T CB 0.441 69.188 68.868 -0.202 0.000 0.968 287 T HN 0.337 nan 8.240 nan 0.000 0.446 288 F N 2.025 121.878 119.950 -0.163 0.000 2.471 288 F HA 0.504 5.053 4.527 0.037 0.000 0.353 288 F C 0.547 176.229 175.800 -0.197 0.000 1.113 288 F CA -0.428 57.475 58.000 -0.163 0.000 1.262 288 F CB 0.660 39.588 39.000 -0.119 0.000 1.146 288 F HN 0.174 nan 8.300 nan 0.000 0.578 289 V N 4.892 124.773 119.914 -0.056 0.000 2.808 289 V HA 0.592 4.735 4.120 0.038 0.000 0.308 289 V C -0.950 174.922 176.094 -0.370 0.000 1.099 289 V CA -0.742 61.365 62.300 -0.322 0.000 0.920 289 V CB 1.984 33.389 31.823 -0.697 0.000 1.014 289 V HN 0.762 nan 8.190 nan 0.000 0.425 290 R N 4.848 125.175 120.500 -0.290 0.000 2.637 290 R HA 0.584 4.947 4.340 0.038 0.000 0.291 290 R C -1.605 174.580 176.300 -0.192 0.000 0.963 290 R CA -0.471 55.484 56.100 -0.242 0.000 0.901 290 R CB 2.146 32.431 30.300 -0.026 0.000 1.160 290 R HN 0.574 nan 8.270 nan 0.000 0.457 291 F N 1.525 121.503 119.950 0.047 0.000 2.397 291 F HA 0.412 4.960 4.527 0.036 0.000 0.331 291 F C 0.894 176.592 175.800 -0.170 0.000 1.090 291 F CA -0.166 57.831 58.000 -0.006 0.000 1.065 291 F CB 1.027 39.913 39.000 -0.189 0.000 1.184 291 F HN 0.194 nan 8.300 nan 0.000 0.499 292 H N 0.534 119.597 119.070 -0.011 0.000 2.930 292 H HA 0.226 4.806 4.556 0.040 0.000 0.371 292 H C -1.668 173.448 175.328 -0.352 0.000 1.169 292 H CA -1.043 54.898 56.048 -0.178 0.000 1.157 292 H CB 2.029 31.773 29.762 -0.030 0.000 1.789 292 H HN 0.688 nan 8.280 nan 0.000 0.547 293 W N 2.439 123.648 121.300 -0.152 0.000 2.600 293 W HA 0.322 5.003 4.660 0.035 0.000 0.325 293 W C -0.156 176.410 176.519 0.077 0.000 1.034 293 W CA -0.755 56.548 57.345 -0.069 0.000 1.226 293 W CB 1.907 31.133 29.460 -0.390 0.000 1.379 293 W HN 0.265 nan 8.180 nan 0.000 0.466 294 K N 5.792 126.478 120.400 0.476 0.000 2.265 294 K HA 0.405 4.748 4.320 0.038 0.000 0.267 294 K C -2.497 174.331 176.600 0.381 0.000 0.994 294 K CA -1.879 54.614 56.287 0.344 0.000 0.860 294 K CB 1.603 34.250 32.500 0.244 0.000 1.099 294 K HN 0.043 nan 8.250 nan 0.000 0.448 295 P HA 0.072 nan 4.420 nan 0.000 0.282 295 P C 0.357 177.662 177.300 0.009 0.000 1.274 295 P CA -0.160 62.999 63.100 0.099 0.000 0.770 295 P CB 0.835 32.610 31.700 0.124 0.000 0.867 296 L N 2.634 123.809 121.223 -0.080 0.000 2.465 296 L HA -0.041 4.322 4.340 0.038 0.000 0.224 296 L C 2.109 178.957 176.870 -0.037 0.000 1.145 296 L CA 0.887 55.715 54.840 -0.020 0.000 0.834 296 L CB -0.473 41.582 42.059 -0.007 0.000 0.944 296 L HN 0.349 nan 8.230 nan 0.000 0.451 297 A N 0.016 122.785 122.820 -0.084 0.000 2.238 297 A HA 0.421 4.764 4.320 0.038 0.000 0.208 297 A C 1.239 178.816 177.584 -0.011 0.000 1.177 297 A CA 0.623 52.628 52.037 -0.053 0.000 0.804 297 A CB -0.404 18.545 19.000 -0.085 0.000 0.823 297 A HN 0.439 nan 8.150 nan 0.000 0.482 298 G N -0.603 108.206 108.800 0.015 0.000 2.756 298 G HA2 -0.142 3.841 3.960 0.038 0.000 0.678 298 G HA3 -0.142 3.841 3.960 0.038 0.000 0.678 298 G C -0.625 174.306 174.900 0.050 0.000 1.349 298 G CA -0.433 44.697 45.100 0.050 0.000 0.847 298 G HN 0.456 nan 8.290 nan 0.000 0.548 299 K N 0.237 120.675 120.400 0.065 0.000 2.211 299 K HA 0.702 5.045 4.320 0.038 0.000 0.275 299 K C 0.232 176.839 176.600 0.010 0.000 1.024 299 K CA 0.263 56.573 56.287 0.039 0.000 0.887 299 K CB 1.680 34.193 32.500 0.021 0.000 1.084 299 K HN 1.354 nan 8.250 nan 0.000 0.463 300 A N 1.908 124.718 122.820 -0.016 0.000 2.517 300 A HA 0.639 4.982 4.320 0.038 0.000 0.297 300 A C -1.092 176.551 177.584 0.098 0.000 1.050 300 A CA -0.672 51.313 52.037 -0.087 0.000 0.694 300 A CB 1.680 20.401 19.000 -0.465 0.000 1.277 300 A HN 0.529 nan 8.150 nan 0.000 0.400 301 S N 0.548 116.466 115.700 0.363 0.000 2.632 301 S HA 0.736 5.229 4.470 0.038 0.000 0.289 301 S C -0.103 174.819 174.600 0.537 0.000 1.115 301 S CA -0.638 57.803 58.200 0.401 0.000 0.889 301 S CB 1.182 64.599 63.200 0.362 0.000 1.116 301 S HN 0.658 nan 8.310 nan 0.000 0.486 302 L N 1.307 122.735 121.223 0.342 0.000 2.470 302 L HA 0.483 4.846 4.340 0.038 0.000 0.243 302 L C 0.063 177.050 176.870 0.195 0.000 1.227 302 L CA -0.706 54.255 54.840 0.201 0.000 0.824 302 L CB 0.107 42.199 42.059 0.055 0.000 1.175 302 L HN 0.496 nan 8.230 nan 0.000 0.503 303 V N -3.113 116.811 119.914 0.016 0.000 2.850 303 V HA 0.174 4.317 4.120 0.038 0.000 0.315 303 V C 0.707 176.736 176.094 -0.107 0.000 1.064 303 V CA -0.812 61.465 62.300 -0.037 0.000 0.979 303 V CB 1.577 33.348 31.823 -0.087 0.000 1.039 303 V HN 0.940 nan 8.190 nan 0.000 0.452 304 W N 1.718 122.879 121.300 -0.233 0.000 2.317 304 W HA -0.239 4.443 4.660 0.037 0.000 0.318 304 W C 1.821 178.177 176.519 -0.271 0.000 1.227 304 W CA 2.600 59.802 57.345 -0.238 0.000 1.269 304 W CB -0.085 29.218 29.460 -0.262 0.000 1.155 304 W HN 1.002 nan 8.180 nan 0.000 0.484 305 D N 0.159 120.275 120.400 -0.473 0.000 2.123 305 D HA -0.298 4.365 4.640 0.038 0.000 0.196 305 D C 2.158 178.091 176.300 -0.611 0.000 0.992 305 D CA 2.248 55.934 54.000 -0.523 0.000 0.833 305 D CB -0.523 40.220 40.800 -0.095 0.000 0.954 305 D HN 0.372 nan 8.370 nan 0.000 0.455 306 E N -0.301 119.408 120.200 -0.819 0.000 2.051 306 E HA -0.223 4.150 4.350 0.038 0.000 0.192 306 E C 2.050 178.307 176.600 -0.571 0.000 0.991 306 E CA 1.123 56.997 56.400 -0.877 0.000 0.799 306 E CB -0.263 28.802 29.700 -1.058 0.000 0.748 306 E HN 0.302 nan 8.360 nan 0.000 0.449 307 A N 1.242 123.746 122.820 -0.526 0.000 1.883 307 A HA -0.295 4.048 4.320 0.038 0.000 0.217 307 A C 2.208 179.446 177.584 -0.576 0.000 1.186 307 A CA 1.995 53.760 52.037 -0.453 0.000 0.624 307 A CB -0.826 18.013 19.000 -0.268 0.000 0.822 307 A HN 0.486 nan 8.150 nan 0.000 0.444 308 Q N -0.645 118.598 119.800 -0.929 0.000 2.084 308 Q HA -0.196 4.167 4.340 0.038 0.000 0.202 308 Q C 2.211 177.929 176.000 -0.470 0.000 0.978 308 Q CA 1.849 57.137 55.803 -0.858 0.000 0.844 308 Q CB -0.152 27.816 28.738 -1.284 0.000 0.898 308 Q HN 0.668 nan 8.270 nan 0.000 0.426 309 K N 0.007 120.154 120.400 -0.422 0.000 2.097 309 K HA -0.154 4.189 4.320 0.038 0.000 0.206 309 K C 2.080 178.534 176.600 -0.242 0.000 1.049 309 K CA 0.776 56.906 56.287 -0.262 0.000 0.933 309 K CB -0.075 32.314 32.500 -0.185 0.000 0.717 309 K HN 0.178 nan 8.250 nan 0.000 0.442 310 L N 1.438 122.475 121.223 -0.311 0.000 2.131 310 L HA -0.164 4.199 4.340 0.038 0.000 0.210 310 L C 2.288 179.019 176.870 -0.232 0.000 1.092 310 L CA 2.224 56.877 54.840 -0.312 0.000 0.759 310 L CB -1.010 40.776 42.059 -0.455 0.000 0.903 310 L HN 0.356 nan 8.230 nan 0.000 0.435 311 T N -4.498 109.923 114.554 -0.221 0.000 2.881 311 T HA -0.072 4.301 4.350 0.038 0.000 0.270 311 T C 1.870 176.505 174.700 -0.108 0.000 1.068 311 T CA 0.989 63.001 62.100 -0.147 0.000 1.131 311 T CB -0.938 67.854 68.868 -0.126 0.000 0.871 311 T HN 0.371 nan 8.240 nan 0.000 0.479 312 G N 1.081 109.811 108.800 -0.117 0.000 2.411 312 G HA2 -0.009 3.974 3.960 0.038 0.000 0.213 312 G HA3 -0.009 3.974 3.960 0.038 0.000 0.213 312 G C 1.920 176.774 174.900 -0.076 0.000 1.166 312 G CA -0.227 44.821 45.100 -0.086 0.000 0.802 312 G HN 0.306 nan 8.290 nan 0.000 0.533 313 R N 0.236 120.679 120.500 -0.094 0.000 2.090 313 R HA 0.044 4.407 4.340 0.038 0.000 0.228 313 R C -0.147 176.122 176.300 -0.051 0.000 1.110 313 R CA 0.820 56.877 56.100 -0.072 0.000 0.973 313 R CB -0.199 30.048 30.300 -0.089 0.000 0.869 313 R HN 0.337 nan 8.270 nan 0.000 0.440 314 D N -0.549 119.815 120.400 -0.060 0.000 2.411 314 D HA 0.140 4.803 4.640 0.038 0.000 0.239 314 D C -2.176 174.123 176.300 -0.002 0.000 1.307 314 D CA -1.706 52.291 54.000 -0.005 0.000 0.930 314 D CB 1.343 42.183 40.800 0.066 0.000 1.395 314 D HN -0.136 nan 8.370 nan 0.000 0.536 315 P HA 0.044 nan 4.420 nan 0.000 0.234 315 P C 0.044 177.348 177.300 0.007 0.000 1.167 315 P CA 0.511 63.599 63.100 -0.021 0.000 0.763 315 P CB 0.488 32.172 31.700 -0.026 0.000 0.835 316 D N -1.446 118.970 120.400 0.027 0.000 2.427 316 D HA 0.083 4.746 4.640 0.038 0.000 0.224 316 D C 1.198 177.537 176.300 0.065 0.000 1.157 316 D CA -0.446 53.575 54.000 0.035 0.000 0.828 316 D CB -0.518 40.281 40.800 -0.001 0.000 0.974 316 D HN 0.118 nan 8.370 nan 0.000 0.498 317 F N 1.281 121.173 119.950 -0.096 0.000 2.069 317 F HA -0.257 4.293 4.527 0.038 0.000 0.298 317 F C 2.122 177.900 175.800 -0.035 0.000 1.113 317 F CA 1.907 59.846 58.000 -0.101 0.000 1.214 317 F CB 0.058 38.944 39.000 -0.192 0.000 0.978 317 F HN 0.113 nan 8.300 nan 0.000 0.474 318 H N -1.070 117.886 119.070 -0.189 0.000 2.357 318 H HA -0.110 4.468 4.556 0.037 0.000 0.301 318 H C 2.401 177.620 175.328 -0.183 0.000 1.082 318 H CA 0.939 56.735 56.048 -0.421 0.000 1.342 318 H CB -0.157 29.206 29.762 -0.667 0.000 1.389 318 H HN 0.187 nan 8.280 nan 0.000 0.511 319 R N 1.288 121.885 120.500 0.162 0.000 2.083 319 R HA -0.165 4.198 4.340 0.038 0.000 0.237 319 R C 2.446 178.848 176.300 0.169 0.000 1.137 319 R CA 1.534 57.776 56.100 0.236 0.000 0.951 319 R CB -0.087 30.342 30.300 0.214 0.000 0.851 319 R HN 0.209 nan 8.270 nan 0.000 0.434 320 R N 0.206 120.731 120.500 0.041 0.000 2.081 320 R HA -0.141 4.222 4.340 0.038 0.000 0.235 320 R C 2.172 178.475 176.300 0.004 0.000 1.131 320 R CA 1.659 57.768 56.100 0.014 0.000 0.960 320 R CB -0.187 30.090 30.300 -0.040 0.000 0.856 320 R HN 0.283 nan 8.270 nan 0.000 0.436 321 E N 0.606 120.708 120.200 -0.163 0.000 2.107 321 E HA -0.176 4.197 4.350 0.038 0.000 0.191 321 E C 1.993 178.562 176.600 -0.050 0.000 0.982 321 E CA 0.803 57.072 56.400 -0.218 0.000 0.809 321 E CB -0.022 29.353 29.700 -0.542 0.000 0.756 321 E HN 0.249 nan 8.360 nan 0.000 0.459 322 L N 0.935 122.170 121.223 0.020 0.000 1.994 322 L HA -0.155 4.208 4.340 0.038 0.000 0.208 322 L C 2.236 179.214 176.870 0.181 0.000 1.071 322 L CA 1.854 56.760 54.840 0.109 0.000 0.745 322 L CB -0.969 41.217 42.059 0.211 0.000 0.892 322 L HN 0.312 nan 8.230 nan 0.000 0.431 323 W N 0.827 122.164 121.300 0.062 0.000 2.358 323 W HA -0.194 4.487 4.660 0.036 0.000 0.303 323 W C 2.186 178.740 176.519 0.058 0.000 1.208 323 W CA 2.074 59.468 57.345 0.082 0.000 1.274 323 W CB -0.093 29.419 29.460 0.086 0.000 1.138 323 W HN 0.358 nan 8.180 nan 0.000 0.515 324 E N -0.154 120.227 120.200 0.302 0.000 2.216 324 E HA -0.086 4.287 4.350 0.038 0.000 0.192 324 E C 2.353 178.999 176.600 0.076 0.000 0.988 324 E CA 0.830 57.336 56.400 0.176 0.000 0.834 324 E CB -0.249 29.505 29.700 0.089 0.000 0.772 324 E HN 0.162 nan 8.360 nan 0.000 0.479 325 A N 1.327 124.188 122.820 0.068 0.000 1.877 325 A HA -0.188 4.155 4.320 0.038 0.000 0.216 325 A C 2.146 179.781 177.584 0.086 0.000 1.186 325 A CA 1.114 53.186 52.037 0.059 0.000 0.620 325 A CB -0.543 18.486 19.000 0.048 0.000 0.822 325 A HN 0.136 nan 8.150 nan 0.000 0.443 326 I N -0.476 120.162 120.570 0.114 0.000 2.252 326 I HA -0.234 3.959 4.170 0.038 0.000 0.245 326 I C 2.443 178.664 176.117 0.173 0.000 1.102 326 I CA 1.421 62.842 61.300 0.202 0.000 1.385 326 I CB -0.454 37.571 38.000 0.043 0.000 1.064 326 I HN 0.413 nan 8.210 nan 0.000 0.414 327 E N 0.850 121.091 120.200 0.069 0.000 2.209 327 E HA -0.210 4.163 4.350 0.038 0.000 0.196 327 E C 2.092 178.729 176.600 0.061 0.000 0.993 327 E CA 1.301 57.749 56.400 0.080 0.000 0.819 327 E CB -0.111 29.663 29.700 0.124 0.000 0.745 327 E HN 0.522 nan 8.360 nan 0.000 0.477 328 A N -0.064 122.769 122.820 0.022 0.000 2.218 328 A HA 0.255 4.598 4.320 0.038 0.000 0.209 328 A C 1.760 179.293 177.584 -0.085 0.000 1.168 328 A CA 0.902 52.925 52.037 -0.023 0.000 0.804 328 A CB 0.027 18.997 19.000 -0.050 0.000 0.834 328 A HN 0.329 nan 8.150 nan 0.000 0.482 329 G N -0.443 108.236 108.800 -0.201 0.000 2.176 329 G HA2 -0.198 3.785 3.960 0.038 0.000 0.253 329 G HA3 -0.198 3.785 3.960 0.038 0.000 0.253 329 G C -0.158 174.253 174.900 -0.815 0.000 0.979 329 G CA 0.243 44.922 45.100 -0.701 0.000 0.641 329 G HN 0.433 nan 8.290 nan 0.000 0.530 330 D N 1.027 121.225 120.400 -0.337 0.000 2.994 330 D HA 0.273 4.936 4.640 0.038 0.000 0.240 330 D C 0.768 177.033 176.300 -0.058 0.000 1.195 330 D CA -0.180 53.719 54.000 -0.167 0.000 0.957 330 D CB -0.721 40.078 40.800 -0.003 0.000 1.105 330 D HN 0.450 nan 8.370 nan 0.000 0.477 331 F N 1.295 121.248 119.950 0.005 0.000 2.602 331 F HA 0.076 4.626 4.527 0.039 0.000 0.385 331 F C -1.362 174.410 175.800 -0.045 0.000 1.063 331 F CA -1.890 56.106 58.000 -0.008 0.000 1.233 331 F CB 0.021 39.026 39.000 0.009 0.000 1.067 331 F HN -0.133 nan 8.300 nan 0.000 0.564 332 P HA 0.008 nan 4.420 nan 0.000 0.262 332 P C -1.041 176.196 177.300 -0.105 0.000 1.199 332 P CA 0.476 63.565 63.100 -0.018 0.000 0.763 332 P CB 0.430 32.209 31.700 0.131 0.000 0.790 333 E N 2.623 122.616 120.200 -0.345 0.000 2.222 333 E HA 0.445 4.818 4.350 0.038 0.000 0.267 333 E C -0.995 175.309 176.600 -0.493 0.000 0.884 333 E CA -0.568 55.688 56.400 -0.239 0.000 0.764 333 E CB 1.431 31.089 29.700 -0.069 0.000 1.169 333 E HN 0.384 nan 8.360 nan 0.000 0.413 334 Y N 0.295 120.666 120.300 0.118 0.000 2.492 334 Y HA 0.265 4.840 4.550 0.041 0.000 0.346 334 Y C -0.207 175.917 175.900 0.373 0.000 0.997 334 Y CA -1.002 57.241 58.100 0.238 0.000 1.025 334 Y CB 1.995 40.575 38.460 0.201 0.000 1.263 334 Y HN 0.460 nan 8.280 nan 0.000 0.454 335 E N 2.390 122.912 120.200 0.538 0.000 2.174 335 E HA 0.404 4.777 4.350 0.038 0.000 0.282 335 E C -1.471 175.416 176.600 0.478 0.000 0.992 335 E CA -0.950 55.713 56.400 0.438 0.000 0.803 335 E CB 1.056 30.949 29.700 0.322 0.000 1.090 335 E HN 0.572 nan 8.360 nan 0.000 0.396 336 L N 4.114 125.539 121.223 0.337 0.000 2.380 336 L HA 0.524 4.887 4.340 0.038 0.000 0.273 336 L C -0.114 176.657 176.870 -0.165 0.000 1.138 336 L CA 0.536 55.274 54.840 -0.170 0.000 0.832 336 L CB 1.079 42.980 42.059 -0.262 0.000 1.124 336 L HN 0.558 nan 8.230 nan 0.000 0.454 337 G N 4.555 113.275 108.800 -0.134 0.000 2.638 337 G HA2 0.561 4.544 3.960 0.038 0.000 0.302 337 G HA3 0.561 4.544 3.960 0.038 0.000 0.302 337 G C -1.606 173.413 174.900 0.199 0.000 1.365 337 G CA -0.473 44.601 45.100 -0.043 0.000 0.987 337 G HN 0.469 nan 8.290 nan 0.000 0.495 338 F N 0.413 120.380 119.950 0.028 0.000 2.507 338 F HA 0.392 4.942 4.527 0.039 0.000 0.325 338 F C 0.371 176.168 175.800 -0.006 0.000 1.116 338 F CA -0.980 57.035 58.000 0.024 0.000 0.930 338 F CB 2.612 41.607 39.000 -0.009 0.000 1.146 338 F HN 0.138 nan 8.300 nan 0.000 0.447 339 Q N 4.411 124.335 119.800 0.205 0.000 2.303 339 Q HA 0.497 4.860 4.340 0.038 0.000 0.257 339 Q C -1.072 174.971 176.000 0.070 0.000 0.941 339 Q CA -0.500 55.368 55.803 0.108 0.000 0.931 339 Q CB 2.150 30.958 28.738 0.116 0.000 1.215 339 Q HN 0.546 nan 8.270 nan 0.000 0.437 340 L N 4.161 125.432 121.223 0.080 0.000 2.322 340 L HA 0.578 4.941 4.340 0.038 0.000 0.281 340 L C -0.771 176.151 176.870 0.086 0.000 1.014 340 L CA -0.753 54.121 54.840 0.057 0.000 0.815 340 L CB 1.191 43.290 42.059 0.066 0.000 1.247 340 L HN 0.508 nan 8.230 nan 0.000 0.421 341 I N 4.422 125.059 120.570 0.111 0.000 2.478 341 I HA 0.409 4.602 4.170 0.038 0.000 0.287 341 I C -2.351 173.881 176.117 0.193 0.000 1.042 341 I CA -1.666 59.742 61.300 0.181 0.000 1.067 341 I CB 1.998 40.128 38.000 0.216 0.000 1.233 341 I HN 0.302 nan 8.210 nan 0.000 0.431 342 P HA 0.076 nan 4.420 nan 0.000 0.272 342 P C 0.633 178.002 177.300 0.115 0.000 1.230 342 P CA -0.271 62.865 63.100 0.061 0.000 0.788 342 P CB 0.793 32.520 31.700 0.045 0.000 0.949 343 E N 1.313 121.499 120.200 -0.023 0.000 2.153 343 E HA -0.241 4.132 4.350 0.038 0.000 0.194 343 E C 0.703 177.398 176.600 0.158 0.000 0.988 343 E CA 1.298 57.694 56.400 -0.008 0.000 0.811 343 E CB -0.041 29.542 29.700 -0.196 0.000 0.746 343 E HN 0.391 nan 8.360 nan 0.000 0.466 344 E N 0.706 120.964 120.200 0.096 0.000 2.472 344 E HA -0.111 4.262 4.350 0.038 0.000 0.200 344 E C 0.699 177.358 176.600 0.098 0.000 1.046 344 E CA 0.902 57.363 56.400 0.102 0.000 0.871 344 E CB 0.064 29.802 29.700 0.064 0.000 0.806 344 E HN 0.265 nan 8.360 nan 0.000 0.533 345 D N 0.211 120.670 120.400 0.099 0.000 2.340 345 D HA -0.030 4.633 4.640 0.038 0.000 0.217 345 D C 1.295 177.606 176.300 0.019 0.000 1.081 345 D CA 0.099 54.127 54.000 0.047 0.000 0.842 345 D CB 0.023 40.862 40.800 0.066 0.000 0.934 345 D HN 0.296 nan 8.370 nan 0.000 0.511 346 E N -0.175 120.012 120.200 -0.021 0.000 2.136 346 E HA -0.220 4.153 4.350 0.038 0.000 0.202 346 E C 0.400 176.680 176.600 -0.533 0.000 1.019 346 E CA 1.188 57.358 56.400 -0.384 0.000 0.819 346 E CB -0.012 29.318 29.700 -0.617 0.000 0.739 346 E HN 0.281 nan 8.360 nan 0.000 0.458 347 F N -0.610 119.325 119.950 -0.024 0.000 2.708 347 F HA 0.293 4.843 4.527 0.038 0.000 0.300 347 F C 1.293 177.002 175.800 -0.151 0.000 1.118 347 F CA -0.330 57.633 58.000 -0.063 0.000 1.307 347 F CB 0.616 39.594 39.000 -0.036 0.000 0.986 347 F HN -0.188 nan 8.300 nan 0.000 0.522 348 K N 0.055 120.339 120.400 -0.195 0.000 2.487 348 K HA 0.113 4.456 4.320 0.038 0.000 0.192 348 K C -0.226 175.924 176.600 -0.750 0.000 1.027 348 K CA 0.427 56.429 56.287 -0.475 0.000 1.054 348 K CB 0.192 32.346 32.500 -0.577 0.000 0.824 348 K HN 0.147 nan 8.250 nan 0.000 0.510 349 F N 0.363 120.157 119.950 -0.260 0.000 2.509 349 F HA 0.106 4.657 4.527 0.039 0.000 0.334 349 F C 1.101 176.711 175.800 -0.316 0.000 1.060 349 F CA -1.292 56.468 58.000 -0.401 0.000 0.997 349 F CB 0.693 39.103 39.000 -0.983 0.000 1.271 349 F HN -0.049 nan 8.300 nan 0.000 0.488 350 D N -0.574 119.844 120.400 0.030 0.000 2.325 350 D HA 0.078 4.741 4.640 0.038 0.000 0.225 350 D C -0.398 176.012 176.300 0.184 0.000 1.096 350 D CA 0.078 54.141 54.000 0.105 0.000 0.844 350 D CB -0.816 40.070 40.800 0.144 0.000 0.925 350 D HN 0.256 nan 8.370 nan 0.000 0.513 351 F N -1.499 118.531 119.950 0.133 0.000 2.618 351 F HA 0.570 5.119 4.527 0.037 0.000 0.332 351 F C -0.180 175.614 175.800 -0.010 0.000 1.061 351 F CA -1.709 56.294 58.000 0.005 0.000 0.974 351 F CB 0.868 39.822 39.000 -0.077 0.000 1.310 351 F HN -0.332 nan 8.300 nan 0.000 0.491 352 D N 1.319 121.748 120.400 0.050 0.000 2.225 352 D HA 0.218 4.881 4.640 0.038 0.000 0.248 352 D C 0.917 177.171 176.300 -0.076 0.000 1.096 352 D CA -0.172 53.796 54.000 -0.053 0.000 0.863 352 D CB 1.611 42.402 40.800 -0.016 0.000 1.156 352 D HN 0.737 nan 8.370 nan 0.000 0.450 353 L N 3.343 124.448 121.223 -0.196 0.000 2.353 353 L HA -0.118 4.245 4.340 0.038 0.000 0.220 353 L C 1.898 178.646 176.870 -0.203 0.000 1.133 353 L CA 0.666 55.370 54.840 -0.226 0.000 0.798 353 L CB -0.048 41.727 42.059 -0.472 0.000 0.922 353 L HN 0.453 nan 8.230 nan 0.000 0.445 354 L N -1.111 120.018 121.223 -0.157 0.000 2.592 354 L HA 0.075 4.438 4.340 0.038 0.000 0.227 354 L C 0.422 177.236 176.870 -0.093 0.000 1.127 354 L CA -0.114 54.699 54.840 -0.044 0.000 0.884 354 L CB -0.168 41.973 42.059 0.137 0.000 1.065 354 L HN 0.079 nan 8.230 nan 0.000 0.457 355 D N 2.090 122.204 120.400 -0.477 0.000 2.380 355 D HA 0.118 4.781 4.640 0.038 0.000 0.230 355 D C -1.652 174.437 176.300 -0.353 0.000 1.154 355 D CA -2.219 51.253 54.000 -0.879 0.000 0.859 355 D CB 1.531 41.592 40.800 -1.231 0.000 1.045 355 D HN -0.043 nan 8.370 nan 0.000 0.495 356 P HA 0.001 nan 4.420 nan 0.000 0.253 356 P C 0.706 177.919 177.300 -0.146 0.000 1.260 356 P CA 0.365 63.402 63.100 -0.105 0.000 0.800 356 P CB -0.043 31.681 31.700 0.040 0.000 1.162 357 T N -4.427 110.026 114.554 -0.168 0.000 3.086 357 T HA 0.177 4.550 4.350 0.038 0.000 0.250 357 T C 0.715 175.335 174.700 -0.133 0.000 1.074 357 T CA -0.149 61.865 62.100 -0.143 0.000 0.988 357 T CB -0.089 68.735 68.868 -0.073 0.000 0.988 357 T HN -0.141 nan 8.240 nan 0.000 0.530 358 K N 2.182 122.412 120.400 -0.283 0.000 2.182 358 K HA 0.580 4.923 4.320 0.038 0.000 0.262 358 K C -0.344 176.091 176.600 -0.275 0.000 0.957 358 K CA -0.818 55.190 56.287 -0.466 0.000 0.842 358 K CB 2.189 34.283 32.500 -0.676 0.000 1.099 358 K HN 0.310 nan 8.250 nan 0.000 0.438 359 L N -0.385 120.802 121.223 -0.060 0.000 2.358 359 L HA 0.651 5.014 4.340 0.038 0.000 0.268 359 L C -0.104 176.593 176.870 -0.289 0.000 1.032 359 L CA -0.509 54.249 54.840 -0.137 0.000 0.805 359 L CB 0.351 42.401 42.059 -0.015 0.000 1.253 359 L HN 0.444 nan 8.230 nan 0.000 0.452 360 I N 1.775 122.265 120.570 -0.134 0.000 2.306 360 I HA 0.382 4.575 4.170 0.038 0.000 0.288 360 I C -2.103 174.024 176.117 0.016 0.000 1.036 360 I CA -1.627 59.642 61.300 -0.052 0.000 1.221 360 I CB 1.065 39.052 38.000 -0.021 0.000 1.385 360 I HN 0.474 nan 8.210 nan 0.000 0.472 361 P HA 0.066 nan 4.420 nan 0.000 0.268 361 P C 0.278 177.633 177.300 0.091 0.000 1.204 361 P CA -0.054 63.080 63.100 0.057 0.000 0.768 361 P CB 0.651 32.375 31.700 0.040 0.000 0.842 362 E N 1.549 121.812 120.200 0.105 0.000 2.268 362 E HA -0.180 4.193 4.350 0.038 0.000 0.195 362 E C 1.324 177.971 176.600 0.079 0.000 0.995 362 E CA 0.752 57.203 56.400 0.085 0.000 0.836 362 E CB -0.006 29.743 29.700 0.082 0.000 0.763 362 E HN 0.508 nan 8.360 nan 0.000 0.491 363 E N 0.392 120.641 120.200 0.081 0.000 2.204 363 E HA -0.130 4.243 4.350 0.038 0.000 0.195 363 E C 2.014 178.674 176.600 0.100 0.000 0.990 363 E CA 0.702 57.149 56.400 0.077 0.000 0.821 363 E CB 0.109 29.849 29.700 0.066 0.000 0.750 363 E HN 0.373 nan 8.360 nan 0.000 0.477 364 L N -0.373 120.929 121.223 0.130 0.000 2.221 364 L HA 0.058 4.421 4.340 0.038 0.000 0.202 364 L C 0.614 177.600 176.870 0.193 0.000 1.074 364 L CA 0.424 55.380 54.840 0.193 0.000 0.795 364 L CB 0.512 42.743 42.059 0.287 0.000 0.960 364 L HN -0.202 nan 8.230 nan 0.000 0.458 365 V N 1.704 121.703 119.914 0.141 0.000 2.398 365 V HA 0.307 4.450 4.120 0.038 0.000 0.282 365 V C -2.325 173.813 176.094 0.074 0.000 1.014 365 V CA -1.380 60.991 62.300 0.119 0.000 0.838 365 V CB 1.581 33.463 31.823 0.098 0.000 1.018 365 V HN -0.025 nan 8.190 nan 0.000 0.432 366 P HA 0.213 nan 4.420 nan 0.000 0.274 366 P C -0.354 176.947 177.300 0.001 0.000 1.237 366 P CA -0.094 63.026 63.100 0.033 0.000 0.793 366 P CB 1.418 33.142 31.700 0.040 0.000 0.977 367 V N 2.640 122.523 119.914 -0.053 0.000 2.455 367 V HA 0.093 4.236 4.120 0.038 0.000 0.273 367 V C 0.897 176.979 176.094 -0.019 0.000 1.045 367 V CA 0.013 62.251 62.300 -0.103 0.000 0.976 367 V CB 0.207 31.878 31.823 -0.253 0.000 0.993 367 V HN 0.560 nan 8.190 nan 0.000 0.475 368 Q N 5.903 125.713 119.800 0.016 0.000 2.279 368 Q HA 0.319 4.682 4.340 0.038 0.000 0.256 368 Q C -0.186 175.801 176.000 -0.023 0.000 0.937 368 Q CA -0.593 55.221 55.803 0.018 0.000 0.933 368 Q CB 0.664 29.426 28.738 0.041 0.000 1.189 368 Q HN 0.682 nan 8.270 nan 0.000 0.417 369 R N 3.143 123.662 120.500 0.032 0.000 2.248 369 R HA 0.150 4.513 4.340 0.038 0.000 0.328 369 R C 0.114 176.449 176.300 0.058 0.000 1.067 369 R CA -0.367 55.785 56.100 0.087 0.000 0.924 369 R CB 0.891 31.338 30.300 0.245 0.000 1.013 369 R HN 0.486 nan 8.270 nan 0.000 0.454 370 V N 1.603 121.400 119.914 -0.194 0.000 3.455 370 V HA 0.280 4.423 4.120 0.038 0.000 0.250 370 V C 0.818 176.613 176.094 -0.499 0.000 1.230 370 V CA 1.062 63.158 62.300 -0.340 0.000 1.105 370 V CB 0.955 32.335 31.823 -0.739 0.000 0.850 370 V HN 1.037 nan 8.190 nan 0.000 0.461 371 G N -0.304 108.036 108.800 -0.766 0.000 2.441 371 G HA2 0.480 4.463 3.960 0.038 0.000 0.294 371 G HA3 0.480 4.463 3.960 0.038 0.000 0.294 371 G C -1.792 172.762 174.900 -0.577 0.000 1.393 371 G CA -0.572 43.914 45.100 -1.023 0.000 0.796 371 G HN 0.021 nan 8.290 nan 0.000 0.494 372 K N -0.383 119.762 120.400 -0.424 0.000 2.427 372 K HA 0.711 5.054 4.320 0.038 0.000 0.252 372 K C -0.921 175.735 176.600 0.092 0.000 0.931 372 K CA -0.799 55.511 56.287 0.038 0.000 0.793 372 K CB 2.124 34.699 32.500 0.124 0.000 1.211 372 K HN 0.604 nan 8.250 nan 0.000 0.426 373 M N 4.593 124.378 119.600 0.310 0.000 2.364 373 M HA 0.424 4.927 4.480 0.038 0.000 0.334 373 M C -1.691 174.590 176.300 -0.032 0.000 1.107 373 M CA -0.752 54.650 55.300 0.171 0.000 0.988 373 M CB 1.677 34.383 32.600 0.177 0.000 1.673 373 M HN 0.367 nan 8.290 nan 0.000 0.441 374 V N 6.291 126.027 119.914 -0.296 0.000 2.531 374 V HA 0.412 4.555 4.120 0.038 0.000 0.301 374 V C -0.602 175.359 176.094 -0.222 0.000 1.034 374 V CA -0.722 61.419 62.300 -0.264 0.000 0.865 374 V CB 1.799 33.354 31.823 -0.446 0.000 0.995 374 V HN 0.802 nan 8.190 nan 0.000 0.424 375 L N 5.578 126.755 121.223 -0.077 0.000 2.255 375 L HA 0.471 4.834 4.340 0.038 0.000 0.289 375 L C 0.513 177.272 176.870 -0.185 0.000 1.046 375 L CA -0.266 54.524 54.840 -0.082 0.000 0.816 375 L CB 0.801 42.863 42.059 0.004 0.000 1.197 375 L HN 0.880 nan 8.230 nan 0.000 0.427 376 N N 2.339 120.842 118.700 -0.328 0.000 2.160 376 N HA 0.119 4.882 4.740 0.038 0.000 0.226 376 N C 0.009 175.299 175.510 -0.367 0.000 1.256 376 N CA -0.374 52.208 53.050 -0.780 0.000 0.890 376 N CB 0.741 38.484 38.487 -1.241 0.000 1.116 376 N HN 0.444 nan 8.380 nan 0.000 0.517 377 R N 0.337 120.743 120.500 -0.156 0.000 2.522 377 R HA 0.326 4.689 4.340 0.038 0.000 0.283 377 R C -1.209 175.031 176.300 -0.100 0.000 1.074 377 R CA -0.553 55.483 56.100 -0.107 0.000 0.925 377 R CB 1.249 31.501 30.300 -0.079 0.000 1.205 377 R HN 0.056 nan 8.270 nan 0.000 0.436 378 N N 3.225 121.742 118.700 -0.304 0.000 2.424 378 N HA 0.289 5.052 4.740 0.038 0.000 0.257 378 N C -2.273 173.140 175.510 -0.163 0.000 1.250 378 N CA -1.194 51.525 53.050 -0.551 0.000 0.946 378 N CB 0.543 38.026 38.487 -1.675 0.000 1.175 378 N HN 0.330 nan 8.380 nan 0.000 0.477 379 P HA 0.141 nan 4.420 nan 0.000 0.274 379 P C 0.124 177.600 177.300 0.294 0.000 1.260 379 P CA -0.107 63.174 63.100 0.301 0.000 0.793 379 P CB 0.996 32.923 31.700 0.378 0.000 1.048 380 D N -1.349 119.207 120.400 0.261 0.000 2.259 380 D HA -0.007 4.656 4.640 0.038 0.000 0.216 380 D C 0.379 176.859 176.300 0.300 0.000 0.961 380 D CA 1.275 55.426 54.000 0.252 0.000 0.878 380 D CB 0.191 41.078 40.800 0.145 0.000 1.009 380 D HN 0.363 nan 8.370 nan 0.000 0.490 381 N N -0.029 118.838 118.700 0.278 0.000 2.461 381 N HA 0.010 4.773 4.740 0.038 0.000 0.284 381 N C 0.075 175.795 175.510 0.351 0.000 1.049 381 N CA -0.328 52.901 53.050 0.297 0.000 0.889 381 N CB 1.497 40.124 38.487 0.233 0.000 1.365 381 N HN -0.156 nan 8.380 nan 0.000 0.499 382 F N 4.520 124.627 119.950 0.262 0.000 2.095 382 F HA -0.178 4.371 4.527 0.038 0.000 0.298 382 F C 1.660 177.597 175.800 0.228 0.000 1.104 382 F CA 1.549 59.707 58.000 0.263 0.000 1.232 382 F CB -0.135 38.995 39.000 0.217 0.000 0.987 382 F HN 0.598 nan 8.300 nan 0.000 0.475 383 F N 0.848 121.041 119.950 0.406 0.000 2.102 383 F HA -0.108 4.443 4.527 0.040 0.000 0.298 383 F C 2.268 178.125 175.800 0.096 0.000 1.105 383 F CA 1.664 59.819 58.000 0.259 0.000 1.239 383 F CB -0.898 38.231 39.000 0.214 0.000 0.991 383 F HN -0.001 nan 8.300 nan 0.000 0.474 384 A N -0.296 122.670 122.820 0.243 0.000 1.930 384 A HA -0.144 4.199 4.320 0.038 0.000 0.217 384 A C 2.083 179.604 177.584 -0.105 0.000 1.175 384 A CA 1.968 54.051 52.037 0.077 0.000 0.627 384 A CB -0.621 18.474 19.000 0.157 0.000 0.815 384 A HN 0.588 nan 8.150 nan 0.000 0.443 385 E N -1.460 118.692 120.200 -0.081 0.000 2.206 385 E HA -0.046 4.327 4.350 0.038 0.000 0.195 385 E C 1.904 178.411 176.600 -0.155 0.000 0.935 385 E CA 0.367 56.653 56.400 -0.189 0.000 0.875 385 E CB -0.071 29.564 29.700 -0.107 0.000 0.841 385 E HN 0.560 nan 8.360 nan 0.000 0.477 386 N N 1.279 119.879 118.700 -0.167 0.000 2.245 386 N HA -0.147 4.616 4.740 0.038 0.000 0.185 386 N C 1.820 177.159 175.510 -0.285 0.000 1.036 386 N CA 1.253 54.158 53.050 -0.242 0.000 0.857 386 N CB 0.136 38.049 38.487 -0.956 0.000 1.015 386 N HN -0.070 nan 8.380 nan 0.000 0.436 387 E N 0.905 120.860 120.200 -0.409 0.000 2.110 387 E HA -0.086 4.287 4.350 0.038 0.000 0.193 387 E C 1.676 178.085 176.600 -0.318 0.000 0.988 387 E CA 1.416 57.650 56.400 -0.276 0.000 0.804 387 E CB -0.139 29.410 29.700 -0.251 0.000 0.745 387 E HN 0.486 nan 8.360 nan 0.000 0.458 388 Q N -0.215 119.326 119.800 -0.431 0.000 2.451 388 Q HA 0.225 4.588 4.340 0.038 0.000 0.206 388 Q C 0.097 175.980 176.000 -0.195 0.000 0.947 388 Q CA 0.261 55.868 55.803 -0.325 0.000 0.937 388 Q CB 0.334 28.864 28.738 -0.348 0.000 1.025 388 Q HN 0.215 nan 8.270 nan 0.000 0.511 389 A N 1.258 123.986 122.820 -0.153 0.000 2.511 389 A HA 0.406 4.749 4.320 0.038 0.000 0.242 389 A C -0.087 177.402 177.584 -0.157 0.000 1.069 389 A CA 0.235 52.172 52.037 -0.167 0.000 0.763 389 A CB 0.175 19.168 19.000 -0.010 0.000 1.001 389 A HN 0.282 nan 8.150 nan 0.000 0.498 390 A N 2.805 125.472 122.820 -0.255 0.000 2.285 390 A HA 0.699 5.042 4.320 0.038 0.000 0.310 390 A C -0.690 176.781 177.584 -0.189 0.000 1.266 390 A CA -0.410 51.542 52.037 -0.142 0.000 0.832 390 A CB 0.192 19.113 19.000 -0.133 0.000 1.163 390 A HN 0.648 nan 8.150 nan 0.000 0.499 391 F N 0.923 120.877 119.950 0.006 0.000 2.458 391 F HA 0.652 5.197 4.527 0.029 0.000 0.330 391 F C 0.358 176.134 175.800 -0.039 0.000 1.082 391 F CA -0.095 57.886 58.000 -0.031 0.000 0.995 391 F CB 1.994 40.921 39.000 -0.121 0.000 1.170 391 F HN 0.749 nan 8.300 nan 0.000 0.478 392 H N 2.945 121.883 119.070 -0.220 0.000 3.099 392 H HA 0.273 4.845 4.556 0.027 0.000 0.342 392 H C -2.474 172.495 175.328 -0.598 0.000 1.054 392 H CA -1.764 53.937 56.048 -0.579 0.000 1.328 392 H CB 2.641 31.995 29.762 -0.680 0.000 1.876 392 H HN 0.170 nan 8.280 nan 0.000 0.495 393 P HA -0.001 nan 4.420 nan 0.000 0.230 393 P C 1.117 178.282 177.300 -0.224 0.000 1.158 393 P CA 1.281 64.044 63.100 -0.562 0.000 0.769 393 P CB 0.126 31.541 31.700 -0.475 0.000 0.807 394 G N -1.097 107.384 108.800 -0.532 0.000 2.744 394 G HA2 -0.136 3.847 3.960 0.038 0.000 0.211 394 G HA3 -0.136 3.847 3.960 0.038 0.000 0.211 394 G C 0.428 175.553 174.900 0.375 0.000 1.143 394 G CA -0.045 45.137 45.100 0.137 0.000 0.788 394 G HN 0.429 nan 8.290 nan 0.000 0.534 395 H N 0.792 119.979 119.070 0.195 0.000 3.216 395 H HA 0.326 4.910 4.556 0.046 0.000 0.263 395 H C 0.530 175.966 175.328 0.181 0.000 1.601 395 H CA -0.747 55.388 56.048 0.146 0.000 1.509 395 H CB -0.083 29.732 29.762 0.089 0.000 1.759 395 H HN 0.372 nan 8.280 nan 0.000 0.533 396 I N -0.352 120.340 120.570 0.204 0.000 3.100 396 I HA 0.667 4.860 4.170 0.038 0.000 0.312 396 I C -0.099 175.995 176.117 -0.038 0.000 1.063 396 I CA -1.410 59.921 61.300 0.051 0.000 1.031 396 I CB 1.839 39.759 38.000 -0.134 0.000 1.243 396 I HN 0.099 nan 8.210 nan 0.000 0.483 397 V N -1.890 117.973 119.914 -0.084 0.000 3.074 397 V HA 0.675 4.818 4.120 0.038 0.000 0.314 397 V C -2.806 173.379 176.094 0.150 0.000 1.117 397 V CA -2.623 59.696 62.300 0.031 0.000 1.014 397 V CB 0.963 32.788 31.823 0.003 0.000 1.057 397 V HN 0.633 nan 8.190 nan 0.000 0.438 398 P HA 0.363 nan 4.420 nan 0.000 0.262 398 P C 0.900 178.186 177.300 -0.023 0.000 1.182 398 P CA 1.925 65.089 63.100 0.107 0.000 0.761 398 P CB 0.658 32.402 31.700 0.072 0.000 0.795 399 G N 1.701 110.439 108.800 -0.103 0.000 2.253 399 G HA2 -0.156 3.827 3.960 0.038 0.000 0.209 399 G HA3 -0.156 3.827 3.960 0.038 0.000 0.209 399 G C -0.255 174.543 174.900 -0.171 0.000 0.997 399 G CA -0.429 44.592 45.100 -0.133 0.000 0.640 399 G HN 0.449 nan 8.290 nan 0.000 0.496 400 L N 0.020 121.151 121.223 -0.153 0.000 2.309 400 L HA 0.918 5.281 4.340 0.038 0.000 0.261 400 L C -0.614 176.181 176.870 -0.125 0.000 1.021 400 L CA -1.057 53.672 54.840 -0.186 0.000 0.823 400 L CB 2.170 44.042 42.059 -0.312 0.000 1.366 400 L HN 0.105 nan 8.230 nan 0.000 0.423 401 D N -0.779 119.535 120.400 -0.143 0.000 2.692 401 D HA 0.434 5.097 4.640 0.038 0.000 0.290 401 D C -1.243 174.962 176.300 -0.158 0.000 1.281 401 D CA -0.358 53.515 54.000 -0.210 0.000 0.804 401 D CB 1.937 42.688 40.800 -0.082 0.000 1.331 401 D HN 0.114 nan 8.370 nan 0.000 0.432 402 F N -0.150 119.923 119.950 0.206 0.000 2.251 402 F HA 0.513 5.072 4.527 0.054 0.000 0.302 402 F C 1.524 177.338 175.800 0.024 0.000 1.143 402 F CA -0.162 57.881 58.000 0.072 0.000 1.104 402 F CB 1.043 40.062 39.000 0.031 0.000 1.516 402 F HN 0.225 nan 8.300 nan 0.000 0.511 403 T N -3.295 111.357 114.554 0.163 0.000 2.716 403 T HA 0.300 4.673 4.350 0.038 0.000 0.286 403 T C -0.117 174.623 174.700 0.067 0.000 1.052 403 T CA -0.987 61.195 62.100 0.138 0.000 1.024 403 T CB 1.174 70.101 68.868 0.100 0.000 1.349 403 T HN 0.335 nan 8.240 nan 0.000 0.525 404 N N 1.148 119.893 118.700 0.074 0.000 2.449 404 N HA 0.053 4.816 4.740 0.038 0.000 0.191 404 N C 0.036 175.559 175.510 0.022 0.000 1.161 404 N CA 0.082 53.157 53.050 0.042 0.000 0.863 404 N CB -0.406 38.122 38.487 0.068 0.000 0.980 404 N HN 0.679 nan 8.380 nan 0.000 0.458 405 D N 2.353 122.750 120.400 -0.004 0.000 2.662 405 D HA -0.085 4.578 4.640 0.038 0.000 0.237 405 D C -1.326 174.970 176.300 -0.006 0.000 1.154 405 D CA -0.839 53.176 54.000 0.026 0.000 0.861 405 D CB 1.211 41.972 40.800 -0.065 0.000 1.146 405 D HN 0.162 nan 8.370 nan 0.000 0.518 406 P HA -0.111 nan 4.420 nan 0.000 0.229 406 P C 1.556 178.874 177.300 0.030 0.000 1.160 406 P CA 0.160 63.279 63.100 0.031 0.000 0.777 406 P CB 0.452 32.166 31.700 0.023 0.000 0.814 407 L N -0.367 120.893 121.223 0.062 0.000 2.068 407 L HA -0.010 4.353 4.340 0.038 0.000 0.204 407 L C 2.385 179.169 176.870 -0.142 0.000 1.076 407 L CA 1.225 56.090 54.840 0.043 0.000 0.753 407 L CB -1.518 40.655 42.059 0.190 0.000 0.910 407 L HN -0.171 nan 8.230 nan 0.000 0.439 408 L N -0.482 120.491 121.223 -0.417 0.000 2.012 408 L HA -0.235 4.128 4.340 0.038 0.000 0.210 408 L C 2.486 179.112 176.870 -0.407 0.000 1.073 408 L CA 1.800 56.200 54.840 -0.733 0.000 0.748 408 L CB -0.991 40.441 42.059 -1.045 0.000 0.891 408 L HN 0.384 nan 8.230 nan 0.000 0.431 409 Q N -0.244 119.386 119.800 -0.284 0.000 2.077 409 Q HA -0.194 4.169 4.340 0.038 0.000 0.206 409 Q C 2.073 177.991 176.000 -0.137 0.000 0.989 409 Q CA 1.980 57.658 55.803 -0.208 0.000 0.853 409 Q CB -0.869 27.798 28.738 -0.118 0.000 0.907 409 Q HN 0.700 nan 8.270 nan 0.000 0.418 410 G N 0.256 109.007 108.800 -0.082 0.000 2.430 410 G HA2 -0.186 3.797 3.960 0.038 0.000 0.216 410 G HA3 -0.186 3.797 3.960 0.038 0.000 0.216 410 G C 1.486 176.402 174.900 0.026 0.000 1.146 410 G CA 0.128 45.226 45.100 -0.003 0.000 0.793 410 G HN 0.247 nan 8.290 nan 0.000 0.537 411 R N -0.066 120.401 120.500 -0.055 0.000 2.117 411 R HA -0.018 4.345 4.340 0.038 0.000 0.243 411 R C 2.450 178.848 176.300 0.164 0.000 1.143 411 R CA 0.973 57.104 56.100 0.052 0.000 0.968 411 R CB -0.466 29.832 30.300 -0.004 0.000 0.863 411 R HN 0.345 nan 8.270 nan 0.000 0.444 412 L N -0.544 120.673 121.223 -0.010 0.000 2.131 412 L HA -0.186 4.177 4.340 0.038 0.000 0.210 412 L C 2.278 179.295 176.870 0.244 0.000 1.092 412 L CA 1.033 55.890 54.840 0.029 0.000 0.759 412 L CB -0.442 41.469 42.059 -0.246 0.000 0.903 412 L HN 0.150 nan 8.230 nan 0.000 0.435 413 F N 0.248 120.231 119.950 0.054 0.000 2.146 413 F HA -0.208 4.293 4.527 -0.043 0.000 0.298 413 F C 2.808 178.633 175.800 0.041 0.000 1.096 413 F CA 1.640 59.660 58.000 0.033 0.000 1.275 413 F CB -0.237 38.764 39.000 0.003 0.000 1.008 413 F HN -0.030 nan 8.300 nan 0.000 0.480 414 S N -0.861 114.861 115.700 0.035 0.000 2.371 414 S HA -0.200 4.293 4.470 0.038 0.000 0.224 414 S C 2.009 176.458 174.600 -0.251 0.000 1.029 414 S CA 1.243 59.339 58.200 -0.175 0.000 0.978 414 S CB -0.810 62.306 63.200 -0.140 0.000 0.833 414 S HN 0.527 nan 8.310 nan 0.000 0.466 415 Y N 1.538 121.814 120.300 -0.040 0.000 2.509 415 Y HA 0.020 4.625 4.550 0.092 0.000 0.293 415 Y C 2.781 178.292 175.900 -0.648 0.000 1.133 415 Y CA 1.138 59.205 58.100 -0.054 0.000 1.283 415 Y CB -0.414 38.995 38.460 1.581 0.000 1.001 415 Y HN 0.290 nan 8.280 nan 0.000 0.555 416 T N -0.842 113.288 114.554 -0.707 0.000 2.814 416 T HA -0.152 4.221 4.350 0.038 0.000 0.254 416 T C 1.430 175.908 174.700 -0.370 0.000 1.037 416 T CA 1.422 63.234 62.100 -0.480 0.000 1.143 416 T CB -0.377 68.289 68.868 -0.338 0.000 0.866 416 T HN 0.295 nan 8.240 nan 0.000 0.431 417 D N 0.923 121.041 120.400 -0.470 0.000 2.116 417 D HA -0.137 4.526 4.640 0.038 0.000 0.193 417 D C 2.234 178.364 176.300 -0.283 0.000 0.998 417 D CA 1.641 55.387 54.000 -0.423 0.000 0.836 417 D CB -0.516 39.835 40.800 -0.748 0.000 0.951 417 D HN 0.243 nan 8.370 nan 0.000 0.449 418 T N -1.027 113.353 114.554 -0.292 0.000 2.849 418 T HA -0.142 4.231 4.350 0.038 0.000 0.270 418 T C 1.581 176.151 174.700 -0.215 0.000 1.066 418 T CA 1.201 63.175 62.100 -0.211 0.000 1.130 418 T CB -0.198 68.545 68.868 -0.207 0.000 0.864 418 T HN 0.177 nan 8.240 nan 0.000 0.481 419 Q N 0.484 120.085 119.800 -0.332 0.000 2.297 419 Q HA 0.053 4.416 4.340 0.038 0.000 0.204 419 Q C 2.251 178.139 176.000 -0.187 0.000 0.962 419 Q CA 0.537 56.094 55.803 -0.410 0.000 0.879 419 Q CB -0.344 27.746 28.738 -1.079 0.000 0.947 419 Q HN 0.515 nan 8.270 nan 0.000 0.462 420 I N 1.250 121.761 120.570 -0.099 0.000 2.264 420 I HA -0.223 3.970 4.170 0.038 0.000 0.248 420 I C 2.269 178.394 176.117 0.013 0.000 1.111 420 I CA 1.726 63.032 61.300 0.011 0.000 1.382 420 I CB -1.352 36.657 38.000 0.015 0.000 1.060 420 I HN 0.181 nan 8.210 nan 0.000 0.418 421 S N 0.304 115.994 115.700 -0.017 0.000 2.427 421 S HA -0.052 4.441 4.470 0.038 0.000 0.224 421 S C 2.139 176.738 174.600 -0.000 0.000 1.047 421 S CA 0.095 58.298 58.200 0.005 0.000 0.953 421 S CB -0.367 62.836 63.200 0.004 0.000 0.824 421 S HN 0.307 nan 8.310 nan 0.000 0.502 422 R N 0.949 121.426 120.500 -0.038 0.000 2.081 422 R HA 0.145 4.508 4.340 0.038 0.000 0.235 422 R C 1.350 177.631 176.300 -0.031 0.000 1.131 422 R CA 1.392 57.469 56.100 -0.039 0.000 0.960 422 R CB -0.203 30.051 30.300 -0.077 0.000 0.856 422 R HN 0.443 nan 8.270 nan 0.000 0.436 423 L N -1.162 120.034 121.223 -0.044 0.000 2.906 423 L HA 0.330 4.693 4.340 0.038 0.000 0.255 423 L C 0.809 177.702 176.870 0.039 0.000 1.166 423 L CA 0.315 55.143 54.840 -0.020 0.000 0.977 423 L CB 1.262 43.303 42.059 -0.029 0.000 1.313 423 L HN 0.567 nan 8.230 nan 0.000 0.549 424 G N 0.038 108.881 108.800 0.072 0.000 2.176 424 G HA2 -0.123 3.860 3.960 0.038 0.000 0.253 424 G HA3 -0.123 3.860 3.960 0.038 0.000 0.253 424 G C 0.446 175.472 174.900 0.210 0.000 0.979 424 G CA -0.012 45.179 45.100 0.152 0.000 0.641 424 G HN 0.767 nan 8.290 nan 0.000 0.530 425 G N -1.535 107.381 108.800 0.193 0.000 2.343 425 G HA2 0.599 4.582 3.960 0.038 0.000 0.289 425 G HA3 0.599 4.582 3.960 0.038 0.000 0.289 425 G C -2.257 172.800 174.900 0.262 0.000 1.295 425 G CA 0.416 45.632 45.100 0.193 0.000 0.869 425 G HN 0.451 nan 8.290 nan 0.000 0.522 426 P HA 0.131 nan 4.420 nan 0.000 0.255 426 P C 0.333 177.643 177.300 0.017 0.000 1.248 426 P CA 0.287 63.487 63.100 0.165 0.000 0.807 426 P CB 0.249 32.005 31.700 0.092 0.000 1.150 427 N N 0.553 119.278 118.700 0.041 0.000 2.346 427 N HA 0.044 4.807 4.740 0.038 0.000 0.225 427 N C 1.081 176.454 175.510 -0.229 0.000 1.144 427 N CA -0.096 52.881 53.050 -0.122 0.000 0.837 427 N CB -0.666 37.782 38.487 -0.067 0.000 1.069 427 N HN 0.281 nan 8.380 nan 0.000 0.487 428 F N 0.779 120.725 119.950 -0.007 0.000 2.333 428 F HA -0.095 4.466 4.527 0.056 0.000 0.300 428 F C 2.261 178.006 175.800 -0.093 0.000 1.083 428 F CA 0.788 58.752 58.000 -0.060 0.000 1.395 428 F CB -0.844 38.136 39.000 -0.034 0.000 1.056 428 F HN 0.183 nan 8.300 nan 0.000 0.529 429 H N 0.535 119.252 119.070 -0.589 0.000 2.545 429 H HA 0.015 4.593 4.556 0.036 0.000 0.282 429 H C 0.878 176.052 175.328 -0.257 0.000 1.020 429 H CA 1.436 57.235 56.048 -0.416 0.000 1.243 429 H CB -0.756 28.620 29.762 -0.643 0.000 1.377 429 H HN 0.541 nan 8.280 nan 0.000 0.581 430 E N 0.851 120.651 120.200 -0.666 0.000 2.442 430 E HA 0.175 4.548 4.350 0.038 0.000 0.195 430 E C 0.395 176.881 176.600 -0.191 0.000 1.030 430 E CA -0.269 55.886 56.400 -0.407 0.000 0.869 430 E CB 0.525 29.983 29.700 -0.404 0.000 0.857 430 E HN 0.433 nan 8.360 nan 0.000 0.505 431 I N 2.713 123.191 120.570 -0.152 0.000 2.598 431 I HA -0.048 4.145 4.170 0.038 0.000 0.284 431 I C -1.552 174.506 176.117 -0.099 0.000 1.140 431 I CA -1.476 59.764 61.300 -0.099 0.000 1.420 431 I CB 0.645 38.600 38.000 -0.076 0.000 1.387 431 I HN -0.193 nan 8.210 nan 0.000 0.553 432 P HA -0.255 nan 4.420 nan 0.000 0.217 432 P C 1.736 178.964 177.300 -0.121 0.000 1.162 432 P CA 1.316 64.358 63.100 -0.096 0.000 0.901 432 P CB 0.159 31.808 31.700 -0.085 0.000 0.793 433 I N -0.767 119.704 120.570 -0.165 0.000 2.423 433 I HA -0.205 3.988 4.170 0.038 0.000 0.254 433 I C 1.357 177.403 176.117 -0.118 0.000 1.151 433 I CA 1.729 62.883 61.300 -0.244 0.000 1.421 433 I CB -0.713 37.028 38.000 -0.431 0.000 1.079 433 I HN -0.101 nan 8.210 nan 0.000 0.431 434 N N 0.554 119.199 118.700 -0.092 0.000 2.422 434 N HA 0.032 4.795 4.740 0.038 0.000 0.181 434 N C 0.365 175.884 175.510 0.015 0.000 1.080 434 N CA 0.219 53.242 53.050 -0.046 0.000 0.893 434 N CB -0.102 38.375 38.487 -0.017 0.000 0.973 434 N HN 0.372 nan 8.380 nan 0.000 0.456 435 R N 1.517 122.022 120.500 0.008 0.000 2.570 435 R HA 0.135 4.498 4.340 0.038 0.000 0.277 435 R C -2.199 174.164 176.300 0.105 0.000 1.039 435 R CA -1.104 55.004 56.100 0.014 0.000 1.065 435 R CB -0.039 30.254 30.300 -0.012 0.000 0.964 435 R HN 0.039 nan 8.270 nan 0.000 0.428 436 P HA 0.010 nan 4.420 nan 0.000 0.272 436 P C 0.501 177.880 177.300 0.132 0.000 1.223 436 P CA -0.096 63.083 63.100 0.132 0.000 0.784 436 P CB 0.761 32.496 31.700 0.058 0.000 0.923 437 T N -1.962 112.687 114.554 0.158 0.000 3.051 437 T HA 0.237 4.610 4.350 0.038 0.000 0.255 437 T C 0.953 175.705 174.700 0.087 0.000 1.085 437 T CA 0.068 62.216 62.100 0.080 0.000 1.109 437 T CB -0.393 68.510 68.868 0.058 0.000 0.921 437 T HN 0.463 nan 8.240 nan 0.000 0.488 438 A N 3.244 126.130 122.820 0.110 0.000 2.466 438 A HA 0.519 4.862 4.320 0.038 0.000 0.238 438 A C -2.123 175.522 177.584 0.102 0.000 1.074 438 A CA -1.230 50.867 52.037 0.101 0.000 0.774 438 A CB -0.445 18.616 19.000 0.101 0.000 1.015 438 A HN 0.290 nan 8.150 nan 0.000 0.498 439 P HA 0.289 nan 4.420 nan 0.000 0.267 439 P C -1.006 176.355 177.300 0.102 0.000 1.200 439 P CA 0.617 63.776 63.100 0.099 0.000 0.772 439 P CB 0.111 31.921 31.700 0.182 0.000 0.855 440 Y N 0.394 120.557 120.300 -0.227 0.000 2.396 440 Y HA 0.664 5.240 4.550 0.043 0.000 0.332 440 Y C -1.485 174.044 175.900 -0.618 0.000 1.034 440 Y CA -0.932 57.018 58.100 -0.250 0.000 1.057 440 Y CB 1.402 39.754 38.460 -0.180 0.000 1.220 440 Y HN 0.431 nan 8.280 nan 0.000 0.440 441 H N 3.783 122.724 119.070 -0.214 0.000 2.947 441 H HA 0.546 5.126 4.556 0.039 0.000 0.354 441 H C -1.181 174.020 175.328 -0.212 0.000 1.085 441 H CA -0.752 55.097 56.048 -0.332 0.000 1.253 441 H CB 1.683 31.295 29.762 -0.250 0.000 1.757 441 H HN 0.897 nan 8.280 nan 0.000 0.523 442 N N 0.397 118.982 118.700 -0.191 0.000 3.449 442 N HA 0.182 4.945 4.740 0.038 0.000 0.312 442 N C -1.185 174.088 175.510 -0.395 0.000 1.557 442 N CA -0.925 51.966 53.050 -0.266 0.000 0.864 442 N CB 0.678 39.170 38.487 0.009 0.000 1.799 442 N HN 0.291 nan 8.380 nan 0.000 0.554 443 F N -0.363 119.629 119.950 0.070 0.000 2.641 443 F HA 0.369 4.918 4.527 0.037 0.000 0.302 443 F C 0.477 176.319 175.800 0.071 0.000 1.098 443 F CA -0.359 57.677 58.000 0.059 0.000 1.318 443 F CB 0.187 39.215 39.000 0.047 0.000 1.035 443 F HN 0.128 nan 8.300 nan 0.000 0.551 444 Q N 1.541 121.448 119.800 0.178 0.000 2.327 444 Q HA 0.432 4.795 4.340 0.038 0.000 0.254 444 Q C 0.038 176.115 176.000 0.128 0.000 0.952 444 Q CA -0.125 55.763 55.803 0.141 0.000 0.884 444 Q CB 1.122 29.922 28.738 0.103 0.000 1.224 444 Q HN 0.100 nan 8.270 nan 0.000 0.422 445 R N 1.687 122.254 120.500 0.113 0.000 2.774 445 R HA 0.351 4.714 4.340 0.038 0.000 0.272 445 R C -0.660 175.686 176.300 0.076 0.000 1.000 445 R CA -0.626 55.531 56.100 0.095 0.000 0.906 445 R CB 1.249 31.608 30.300 0.097 0.000 1.227 445 R HN 0.718 nan 8.270 nan 0.000 0.468 446 D N -0.110 120.327 120.400 0.061 0.000 3.455 446 D HA -0.177 4.486 4.640 0.038 0.000 0.216 446 D C 0.340 176.665 176.300 0.041 0.000 1.510 446 D CA 1.973 55.998 54.000 0.043 0.000 1.128 446 D CB -1.096 39.728 40.800 0.039 0.000 0.680 446 D HN 0.910 nan 8.370 nan 0.000 0.828 447 G N -1.121 107.697 108.800 0.029 0.000 2.733 447 G HA2 0.151 4.134 3.960 0.038 0.000 0.686 447 G HA3 0.151 4.134 3.960 0.038 0.000 0.686 447 G C -0.174 174.724 174.900 -0.003 0.000 1.373 447 G CA 0.116 45.231 45.100 0.026 0.000 0.838 447 G HN 0.806 nan 8.290 nan 0.000 0.588 448 M N 1.383 120.966 119.600 -0.028 0.000 2.252 448 M HA 0.428 4.931 4.480 0.038 0.000 0.329 448 M C 1.277 177.507 176.300 -0.117 0.000 1.101 448 M CA 1.506 56.705 55.300 -0.169 0.000 1.117 448 M CB -0.611 31.841 32.600 -0.248 0.000 1.563 448 M HN 1.298 nan 8.290 nan 0.000 0.445 449 H N -0.580 118.494 119.070 0.006 0.000 2.839 449 H HA -0.165 4.412 4.556 0.036 0.000 0.298 449 H C -0.514 174.804 175.328 -0.017 0.000 1.224 449 H CA 0.616 56.663 56.048 -0.002 0.000 1.144 449 H CB -1.630 28.133 29.762 0.002 0.000 1.372 449 H HN 0.570 nan 8.280 nan 0.000 0.408 450 R N 1.372 121.899 120.500 0.045 0.000 2.296 450 R HA 0.130 4.493 4.340 0.038 0.000 0.323 450 R C 0.911 177.224 176.300 0.021 0.000 1.067 450 R CA -0.105 56.012 56.100 0.027 0.000 0.946 450 R CB 0.312 30.626 30.300 0.022 0.000 0.991 450 R HN 0.259 nan 8.270 nan 0.000 0.448 451 M N 2.548 122.150 119.600 0.002 0.000 2.276 451 M HA 0.203 4.706 4.480 0.038 0.000 0.262 451 M C 0.942 177.240 176.300 -0.003 0.000 1.098 451 M CA 1.125 56.423 55.300 -0.003 0.000 1.167 451 M CB -0.963 31.621 32.600 -0.027 0.000 1.337 451 M HN 0.706 nan 8.290 nan 0.000 0.446 452 G N 1.976 110.777 108.800 0.001 0.000 2.313 452 G HA2 0.344 4.327 3.960 0.038 0.000 0.250 452 G HA3 0.344 4.327 3.960 0.038 0.000 0.250 452 G C -0.321 174.580 174.900 0.001 0.000 1.281 452 G CA -0.328 44.772 45.100 -0.000 0.000 0.917 452 G HN 0.345 nan 8.290 nan 0.000 0.501 453 I N 2.974 123.539 120.570 -0.010 0.000 2.307 453 I HA 0.104 4.297 4.170 0.038 0.000 0.287 453 I C -0.304 175.807 176.117 -0.010 0.000 1.054 453 I CA -0.576 60.722 61.300 -0.003 0.000 1.218 453 I CB 0.975 38.974 38.000 -0.003 0.000 1.398 453 I HN 0.353 nan 8.210 nan 0.000 0.475 454 D N 4.952 125.351 120.400 -0.001 0.000 2.348 454 D HA 0.058 4.721 4.640 0.038 0.000 0.253 454 D C 1.264 177.568 176.300 0.007 0.000 1.161 454 D CA 0.216 54.213 54.000 -0.004 0.000 0.876 454 D CB 1.807 42.612 40.800 0.007 0.000 1.160 454 D HN 0.573 nan 8.370 nan 0.000 0.459 455 T N -0.688 113.865 114.554 -0.002 0.000 3.060 455 T HA -0.070 4.303 4.350 0.038 0.000 0.249 455 T C 0.856 175.565 174.700 0.015 0.000 1.079 455 T CA -0.500 61.603 62.100 0.004 0.000 1.013 455 T CB 0.136 68.999 68.868 -0.007 0.000 0.975 455 T HN 0.105 nan 8.240 nan 0.000 0.518 456 N N 3.375 122.086 118.700 0.018 0.000 2.411 456 N HA 0.095 4.858 4.740 0.038 0.000 0.265 456 N C -1.684 173.865 175.510 0.066 0.000 1.266 456 N CA -1.572 51.503 53.050 0.041 0.000 0.889 456 N CB 1.414 39.926 38.487 0.042 0.000 1.069 456 N HN 0.078 nan 8.380 nan 0.000 0.476 457 P HA -0.028 nan 4.420 nan 0.000 0.219 457 P C -0.569 176.792 177.300 0.102 0.000 1.146 457 P CA 0.925 64.071 63.100 0.076 0.000 0.808 457 P CB 0.225 31.965 31.700 0.067 0.000 0.779 458 A N 0.629 123.498 122.820 0.081 0.000 2.312 458 A HA 0.419 4.762 4.320 0.038 0.000 0.326 458 A C 0.457 178.137 177.584 0.160 0.000 1.172 458 A CA -0.657 51.377 52.037 -0.004 0.000 0.821 458 A CB 0.067 18.879 19.000 -0.313 0.000 1.166 458 A HN 0.265 nan 8.150 nan 0.000 0.493 459 N N 0.231 119.060 118.700 0.216 0.000 2.351 459 N HA 0.357 5.120 4.740 0.038 0.000 0.254 459 N C -0.857 174.809 175.510 0.261 0.000 1.241 459 N CA -0.369 52.886 53.050 0.342 0.000 0.883 459 N CB 0.324 38.970 38.487 0.265 0.000 1.202 459 N HN 0.683 nan 8.380 nan 0.000 0.512 460 Y N -1.066 119.113 120.300 -0.201 0.000 2.609 460 Y HA 0.663 5.235 4.550 0.037 0.000 0.336 460 Y C -1.481 173.819 175.900 -1.000 0.000 1.129 460 Y CA -1.360 56.443 58.100 -0.495 0.000 1.040 460 Y CB 1.006 39.339 38.460 -0.212 0.000 1.310 460 Y HN 0.086 nan 8.280 nan 0.000 0.460 461 E N 1.163 120.863 120.200 -0.835 0.000 2.367 461 E HA 0.675 5.048 4.350 0.038 0.000 0.273 461 E C -3.121 173.369 176.600 -0.184 0.000 0.903 461 E CA -2.117 53.908 56.400 -0.625 0.000 0.764 461 E CB 1.616 30.899 29.700 -0.695 0.000 1.252 461 E HN 0.558 nan 8.360 nan 0.000 0.446 462 P HA 0.249 nan 4.420 nan 0.000 0.275 462 P C -1.260 175.992 177.300 -0.080 0.000 1.228 462 P CA -0.391 62.640 63.100 -0.114 0.000 0.786 462 P CB 0.432 32.100 31.700 -0.054 0.000 0.927 463 N N -1.323 117.261 118.700 -0.194 0.000 2.262 463 N HA 0.356 5.119 4.740 0.038 0.000 0.295 463 N C 0.276 175.739 175.510 -0.078 0.000 1.161 463 N CA -0.743 52.199 53.050 -0.181 0.000 0.767 463 N CB 1.431 39.508 38.487 -0.685 0.000 1.499 463 N HN 0.194 nan 8.380 nan 0.000 0.476 464 S N 0.518 116.219 115.700 0.002 0.000 2.497 464 S HA 0.006 4.499 4.470 0.038 0.000 0.221 464 S C 1.569 176.183 174.600 0.024 0.000 1.037 464 S CA 0.036 58.241 58.200 0.009 0.000 0.920 464 S CB -0.788 62.428 63.200 0.027 0.000 0.800 464 S HN 0.704 nan 8.310 nan 0.000 0.505 465 I N -0.643 119.949 120.570 0.036 0.000 2.676 465 I HA 0.200 4.393 4.170 0.038 0.000 0.259 465 I C 1.274 177.422 176.117 0.053 0.000 1.194 465 I CA 1.310 62.642 61.300 0.053 0.000 1.473 465 I CB -0.383 37.669 38.000 0.085 0.000 1.096 465 I HN 0.167 nan 8.210 nan 0.000 0.443 466 N N 1.193 119.920 118.700 0.046 0.000 2.351 466 N HA 0.042 4.805 4.740 0.038 0.000 0.254 466 N C -0.124 175.494 175.510 0.180 0.000 1.241 466 N CA -0.064 53.056 53.050 0.117 0.000 0.883 466 N CB -0.087 38.483 38.487 0.138 0.000 1.202 466 N HN 0.184 nan 8.380 nan 0.000 0.512 467 D N 0.837 121.292 120.400 0.092 0.000 2.737 467 D HA -0.265 4.398 4.640 0.038 0.000 0.233 467 D C -0.027 176.164 176.300 -0.181 0.000 1.155 467 D CA 1.051 55.066 54.000 0.025 0.000 0.667 467 D CB -1.251 39.646 40.800 0.162 0.000 1.060 467 D HN 0.494 nan 8.370 nan 0.000 0.427 468 N N -1.727 116.899 118.700 -0.124 0.000 2.800 468 N HA -0.248 4.515 4.740 0.038 0.000 0.250 468 N C -0.801 174.638 175.510 -0.117 0.000 1.078 468 N CA 1.402 54.349 53.050 -0.171 0.000 0.804 468 N CB -1.300 37.041 38.487 -0.245 0.000 1.135 468 N HN 0.520 nan 8.380 nan 0.000 0.565 469 W N 1.115 122.471 121.300 0.093 0.000 2.313 469 W HA 0.440 5.122 4.660 0.037 0.000 0.328 469 W C -1.621 174.942 176.519 0.073 0.000 1.197 469 W CA -1.592 55.787 57.345 0.057 0.000 1.235 469 W CB 0.463 29.905 29.460 -0.031 0.000 1.158 469 W HN -0.034 nan 8.180 nan 0.000 0.578 470 P HA 0.154 nan 4.420 nan 0.000 0.271 470 P C -0.715 176.716 177.300 0.218 0.000 1.218 470 P CA -0.029 63.198 63.100 0.210 0.000 0.780 470 P CB 0.958 32.627 31.700 -0.051 0.000 0.901 471 R N 1.396 122.010 120.500 0.189 0.000 2.532 471 R HA 0.291 4.654 4.340 0.038 0.000 0.295 471 R C 0.358 176.689 176.300 0.051 0.000 0.968 471 R CA -0.809 55.272 56.100 -0.031 0.000 0.916 471 R CB 1.104 31.146 30.300 -0.429 0.000 1.124 471 R HN 0.492 nan 8.270 nan 0.000 0.463 472 E N 0.838 121.060 120.200 0.037 0.000 2.492 472 E HA -0.042 4.331 4.350 0.038 0.000 0.266 472 E C -0.515 176.107 176.600 0.037 0.000 1.047 472 E CA 0.879 57.309 56.400 0.050 0.000 0.968 472 E CB 0.488 30.208 29.700 0.033 0.000 0.960 472 E HN 0.379 nan 8.360 nan 0.000 0.452 473 T N 3.456 118.044 114.554 0.057 0.000 2.879 473 T HA 0.353 4.726 4.350 0.038 0.000 0.290 473 T C -2.442 172.282 174.700 0.041 0.000 0.993 473 T CA -1.518 60.613 62.100 0.052 0.000 0.975 473 T CB 1.573 70.484 68.868 0.071 0.000 0.981 473 T HN 0.219 nan 8.240 nan 0.000 0.439 474 P HA 0.242 nan 4.420 nan 0.000 0.272 474 P C -2.363 174.943 177.300 0.010 0.000 1.223 474 P CA -1.168 61.940 63.100 0.013 0.000 0.784 474 P CB -0.176 31.527 31.700 0.005 0.000 0.923 475 P HA 0.230 nan 4.420 nan 0.000 0.269 475 P C -0.122 177.164 177.300 -0.022 0.000 1.215 475 P CA 0.380 63.463 63.100 -0.027 0.000 0.780 475 P CB 0.745 32.407 31.700 -0.064 0.000 0.898 476 G N 1.218 110.004 108.800 -0.023 0.000 2.548 476 G HA2 0.420 4.403 3.960 0.038 0.000 0.301 476 G HA3 0.420 4.403 3.960 0.038 0.000 0.301 476 G C -2.506 172.382 174.900 -0.020 0.000 1.349 476 G CA -0.750 44.341 45.100 -0.016 0.000 0.792 476 G HN 0.172 nan 8.290 nan 0.000 0.481 477 P HA 0.078 nan 4.420 nan 0.000 0.223 477 P C 0.235 177.529 177.300 -0.009 0.000 1.151 477 P CA 1.129 64.219 63.100 -0.017 0.000 0.787 477 P CB 0.437 32.130 31.700 -0.012 0.000 0.788 478 K N -1.148 119.254 120.400 0.003 0.000 2.557 478 K HA 0.317 4.660 4.320 0.038 0.000 0.261 478 K C -0.260 176.355 176.600 0.026 0.000 0.932 478 K CA -0.712 55.584 56.287 0.015 0.000 0.829 478 K CB 1.176 33.686 32.500 0.017 0.000 1.358 478 K HN -0.404 nan 8.250 nan 0.000 0.430 479 R N -0.026 120.498 120.500 0.039 0.000 3.758 479 R HA -0.146 4.217 4.340 0.038 0.000 0.299 479 R C -0.141 176.189 176.300 0.051 0.000 1.182 479 R CA 1.106 57.236 56.100 0.051 0.000 0.809 479 R CB -2.358 27.971 30.300 0.049 0.000 1.249 479 R HN 0.849 nan 8.270 nan 0.000 0.497 480 G N -0.875 107.949 108.800 0.041 0.000 2.502 480 G HA2 0.606 4.589 3.960 0.038 0.000 0.305 480 G HA3 0.606 4.589 3.960 0.038 0.000 0.305 480 G C 0.418 175.352 174.900 0.057 0.000 1.190 480 G CA 0.084 45.206 45.100 0.038 0.000 0.933 480 G HN 0.260 nan 8.290 nan 0.000 0.503 481 G N -1.255 107.581 108.800 0.060 0.000 2.572 481 G HA2 0.413 4.396 3.960 0.038 0.000 0.261 481 G HA3 0.413 4.396 3.960 0.038 0.000 0.261 481 G C -0.756 174.204 174.900 0.098 0.000 1.197 481 G CA -0.564 44.596 45.100 0.099 0.000 0.870 481 G HN 0.452 nan 8.290 nan 0.000 0.548 482 F N 0.217 120.182 119.950 0.024 0.000 2.427 482 F HA 0.436 4.989 4.527 0.044 0.000 0.352 482 F C 0.469 176.283 175.800 0.023 0.000 1.100 482 F CA -0.349 57.661 58.000 0.016 0.000 1.191 482 F CB 1.039 40.052 39.000 0.021 0.000 1.128 482 F HN 0.441 nan 8.300 nan 0.000 0.533 483 E N 3.940 123.784 120.200 -0.593 0.000 2.256 483 E HA 0.317 4.690 4.350 0.038 0.000 0.268 483 E C -1.165 175.102 176.600 -0.555 0.000 0.877 483 E CA -0.793 55.407 56.400 -0.334 0.000 0.757 483 E CB 1.548 31.140 29.700 -0.180 0.000 1.183 483 E HN 0.624 nan 8.360 nan 0.000 0.418 484 S N 2.631 118.237 115.700 -0.157 0.000 2.562 484 S HA -0.031 4.462 4.470 0.038 0.000 0.281 484 S C -0.446 174.134 174.600 -0.034 0.000 1.333 484 S CA -0.277 57.911 58.200 -0.020 0.000 1.052 484 S CB 0.071 63.383 63.200 0.186 0.000 0.884 484 S HN 0.473 nan 8.310 nan 0.000 0.506 485 Y N 2.671 122.896 120.300 -0.124 0.000 2.717 485 Y HA -0.056 4.517 4.550 0.037 0.000 0.330 485 Y C 0.940 176.815 175.900 -0.042 0.000 1.217 485 Y CA 0.239 58.281 58.100 -0.098 0.000 1.506 485 Y CB 0.131 38.528 38.460 -0.105 0.000 1.268 485 Y HN 0.594 nan 8.280 nan 0.000 0.561 486 Q N 5.195 124.598 119.800 -0.662 0.000 3.179 486 Q HA 0.011 4.374 4.340 0.038 0.000 0.328 486 Q C -0.155 175.537 176.000 -0.513 0.000 1.336 486 Q CA -0.046 55.490 55.803 -0.445 0.000 0.939 486 Q CB -0.220 28.332 28.738 -0.309 0.000 1.658 486 Q HN 0.650 nan 8.270 nan 0.000 0.486 487 E N 1.448 121.415 120.200 -0.387 0.000 2.452 487 E HA -0.035 4.338 4.350 0.038 0.000 0.261 487 E C -0.197 176.363 176.600 -0.067 0.000 0.987 487 E CA -0.289 56.025 56.400 -0.143 0.000 0.926 487 E CB 0.618 30.380 29.700 0.103 0.000 0.934 487 E HN 0.135 nan 8.360 nan 0.000 0.452 488 R N 2.975 123.460 120.500 -0.024 0.000 2.340 488 R HA 0.248 4.611 4.340 0.038 0.000 0.300 488 R C -1.483 174.836 176.300 0.032 0.000 1.069 488 R CA -0.271 55.827 56.100 -0.003 0.000 0.984 488 R CB 0.954 31.260 30.300 0.011 0.000 1.003 488 R HN 0.286 nan 8.270 nan 0.000 0.459 489 V N 4.707 124.634 119.914 0.022 0.000 2.487 489 V HA 0.439 4.582 4.120 0.038 0.000 0.298 489 V C -0.581 175.526 176.094 0.022 0.000 1.028 489 V CA -0.608 61.711 62.300 0.031 0.000 0.860 489 V CB 1.702 33.541 31.823 0.026 0.000 0.991 489 V HN 0.833 nan 8.190 nan 0.000 0.427 490 E N 2.697 122.911 120.200 0.025 0.000 2.294 490 E HA 0.683 5.056 4.350 0.038 0.000 0.272 490 E C -0.166 176.441 176.600 0.011 0.000 0.896 490 E CA -0.396 56.012 56.400 0.014 0.000 0.802 490 E CB 2.353 32.062 29.700 0.015 0.000 1.267 490 E HN 0.999 nan 8.360 nan 0.000 0.406 491 G N 2.417 111.219 108.800 0.003 0.000 2.320 491 G HA2 0.116 4.099 3.960 0.038 0.000 0.297 491 G HA3 0.116 4.099 3.960 0.038 0.000 0.297 491 G C -1.513 173.382 174.900 -0.008 0.000 1.344 491 G CA -1.045 44.053 45.100 -0.004 0.000 0.851 491 G HN 0.355 nan 8.290 nan 0.000 0.567 492 N N 0.089 118.780 118.700 -0.014 0.000 2.495 492 N HA 0.449 5.212 4.740 0.038 0.000 0.280 492 N C -0.235 175.262 175.510 -0.021 0.000 1.168 492 N CA -0.555 52.486 53.050 -0.016 0.000 0.978 492 N CB 1.021 39.498 38.487 -0.017 0.000 1.191 492 N HN 0.440 nan 8.380 nan 0.000 0.497 493 K N 1.051 121.438 120.400 -0.022 0.000 2.351 493 K HA 0.186 4.529 4.320 0.038 0.000 0.287 493 K C -0.683 175.896 176.600 -0.035 0.000 1.068 493 K CA -0.136 56.134 56.287 -0.028 0.000 0.998 493 K CB -0.296 32.189 32.500 -0.026 0.000 0.968 493 K HN 0.375 nan 8.250 nan 0.000 0.464 494 V N 0.219 120.107 119.914 -0.043 0.000 2.925 494 V HA 0.472 4.615 4.120 0.038 0.000 0.311 494 V C -0.586 175.469 176.094 -0.066 0.000 1.104 494 V CA -1.352 60.918 62.300 -0.050 0.000 0.954 494 V CB 2.059 33.854 31.823 -0.047 0.000 1.022 494 V HN 0.618 nan 8.190 nan 0.000 0.427 495 R N 2.269 122.725 120.500 -0.072 0.000 2.522 495 R HA 0.587 4.950 4.340 0.038 0.000 0.290 495 R C -0.484 175.768 176.300 -0.080 0.000 1.216 495 R CA -0.114 55.930 56.100 -0.092 0.000 1.250 495 R CB 0.689 30.922 30.300 -0.111 0.000 1.143 495 R HN 0.937 nan 8.270 nan 0.000 0.553 496 E N 2.066 122.215 120.200 -0.084 0.000 2.321 496 E HA 0.227 4.600 4.350 0.038 0.000 0.278 496 E C -1.301 175.232 176.600 -0.112 0.000 0.902 496 E CA -1.007 55.346 56.400 -0.078 0.000 0.758 496 E CB 1.600 31.261 29.700 -0.066 0.000 1.213 496 E HN 0.126 nan 8.360 nan 0.000 0.426 497 R N 1.758 122.196 120.500 -0.103 0.000 2.390 497 R HA 0.226 4.589 4.340 0.038 0.000 0.291 497 R C -0.533 175.650 176.300 -0.195 0.000 1.070 497 R CA 0.052 56.050 56.100 -0.170 0.000 1.014 497 R CB 1.233 31.491 30.300 -0.069 0.000 1.007 497 R HN 0.393 nan 8.270 nan 0.000 0.466 498 S N 4.973 120.444 115.700 -0.382 0.000 2.537 498 S HA 0.099 4.592 4.470 0.038 0.000 0.286 498 S C -1.534 173.045 174.600 -0.036 0.000 1.299 498 S CA -1.220 56.845 58.200 -0.224 0.000 1.067 498 S CB 0.656 63.671 63.200 -0.309 0.000 0.864 498 S HN 0.537 nan 8.310 nan 0.000 0.494 499 P HA -0.126 nan 4.420 nan 0.000 0.217 499 P C 1.602 178.958 177.300 0.093 0.000 1.148 499 P CA 1.367 64.493 63.100 0.043 0.000 0.828 499 P CB -0.131 31.583 31.700 0.024 0.000 0.783 500 S N -1.888 113.903 115.700 0.153 0.000 2.469 500 S HA -0.140 4.353 4.470 0.038 0.000 0.238 500 S C 1.498 176.266 174.600 0.280 0.000 0.998 500 S CA 0.922 59.245 58.200 0.204 0.000 0.957 500 S CB -1.483 61.871 63.200 0.258 0.000 0.764 500 S HN -0.029 nan 8.310 nan 0.000 0.514 501 F N 2.320 122.267 119.950 -0.005 0.000 2.811 501 F HA 0.356 4.904 4.527 0.035 0.000 0.301 501 F C 2.064 177.807 175.800 -0.095 0.000 1.151 501 F CA -0.681 57.312 58.000 -0.011 0.000 1.412 501 F CB -0.797 38.228 39.000 0.042 0.000 1.113 501 F HN 0.375 nan 8.300 nan 0.000 0.579 502 G N 0.005 108.804 108.800 -0.001 0.000 3.474 502 G HA2 0.028 4.011 3.960 0.038 0.000 0.269 502 G HA3 0.028 4.011 3.960 0.038 0.000 0.269 502 G C 0.100 174.555 174.900 -0.741 0.000 1.339 502 G CA 0.080 45.013 45.100 -0.278 0.000 1.258 502 G HN 0.067 nan 8.290 nan 0.000 0.560 503 E N 0.047 119.784 120.200 -0.772 0.000 2.241 503 E HA 0.340 4.713 4.350 0.038 0.000 0.263 503 E C -0.811 175.398 176.600 -0.652 0.000 0.882 503 E CA -0.753 55.254 56.400 -0.654 0.000 0.769 503 E CB 1.470 31.027 29.700 -0.238 0.000 1.185 503 E HN 0.205 nan 8.360 nan 0.000 0.415 504 Y N 2.668 122.764 120.300 -0.340 0.000 2.453 504 Y HA 0.182 4.755 4.550 0.038 0.000 0.247 504 Y C 0.721 176.336 175.900 -0.476 0.000 1.124 504 Y CA -0.124 57.673 58.100 -0.506 0.000 1.243 504 Y CB 0.373 38.355 38.460 -0.798 0.000 1.213 504 Y HN 0.446 nan 8.280 nan 0.000 0.523 505 Y N -1.408 118.967 120.300 0.126 0.000 2.483 505 Y HA 0.079 4.654 4.550 0.040 0.000 0.258 505 Y C 2.425 178.382 175.900 0.095 0.000 1.083 505 Y CA 0.269 58.440 58.100 0.118 0.000 1.283 505 Y CB -0.335 38.201 38.460 0.127 0.000 1.178 505 Y HN 0.048 nan 8.280 nan 0.000 0.515 506 S N -0.629 115.202 115.700 0.217 0.000 2.383 506 S HA -0.191 4.302 4.470 0.038 0.000 0.227 506 S C 1.430 176.121 174.600 0.152 0.000 1.026 506 S CA 1.594 59.909 58.200 0.193 0.000 0.981 506 S CB -0.530 62.789 63.200 0.198 0.000 0.818 506 S HN 0.428 nan 8.310 nan 0.000 0.472 507 H N 2.689 121.675 119.070 -0.140 0.000 2.363 507 H HA 0.212 4.792 4.556 0.039 0.000 0.301 507 H C -0.650 174.491 175.328 -0.312 0.000 1.074 507 H CA 1.092 56.914 56.048 -0.377 0.000 1.354 507 H CB -1.740 27.555 29.762 -0.779 0.000 1.397 507 H HN 0.382 nan 8.280 nan 0.000 0.516 508 P HA -0.182 nan 4.420 nan 0.000 0.216 508 P C 1.529 179.017 177.300 0.314 0.000 1.153 508 P CA 1.769 65.020 63.100 0.252 0.000 0.858 508 P CB 0.094 31.959 31.700 0.275 0.000 0.789 509 R N -0.481 120.154 120.500 0.225 0.000 2.075 509 R HA -0.106 4.257 4.340 0.038 0.000 0.232 509 R C 2.157 178.590 176.300 0.221 0.000 1.126 509 R CA 1.067 57.305 56.100 0.231 0.000 0.963 509 R CB -1.088 29.310 30.300 0.163 0.000 0.858 509 R HN 0.046 nan 8.270 nan 0.000 0.435 510 L N 0.594 121.891 121.223 0.123 0.000 2.012 510 L HA -0.148 4.215 4.340 0.038 0.000 0.210 510 L C 2.030 178.959 176.870 0.099 0.000 1.073 510 L CA 1.798 56.671 54.840 0.055 0.000 0.748 510 L CB -0.776 41.241 42.059 -0.070 0.000 0.891 510 L HN 0.259 nan 8.230 nan 0.000 0.431 511 F N -0.734 119.250 119.950 0.056 0.000 2.095 511 F HA -0.287 4.264 4.527 0.041 0.000 0.298 511 F C 2.333 178.141 175.800 0.013 0.000 1.104 511 F CA 2.225 60.241 58.000 0.026 0.000 1.232 511 F CB -0.666 38.395 39.000 0.102 0.000 0.987 511 F HN 0.401 nan 8.300 nan 0.000 0.475 512 W N 1.421 122.709 121.300 -0.019 0.000 2.333 512 W HA -0.251 4.432 4.660 0.038 0.000 0.316 512 W C 1.728 178.129 176.519 -0.198 0.000 1.215 512 W CA 1.846 59.133 57.345 -0.098 0.000 1.278 512 W CB -0.762 28.725 29.460 0.046 0.000 1.154 512 W HN 0.072 nan 8.180 nan 0.000 0.486 513 L N 1.209 122.368 121.223 -0.107 0.000 2.456 513 L HA -0.141 4.222 4.340 0.038 0.000 0.224 513 L C 2.254 178.937 176.870 -0.312 0.000 1.148 513 L CA 0.927 55.623 54.840 -0.240 0.000 0.825 513 L CB -0.610 41.433 42.059 -0.028 0.000 0.937 513 L HN -0.113 nan 8.230 nan 0.000 0.450 514 S N -1.558 113.936 115.700 -0.344 0.000 2.548 514 S HA 0.065 4.558 4.470 0.038 0.000 0.215 514 S C 0.721 175.041 174.600 -0.466 0.000 0.976 514 S CA 0.020 58.017 58.200 -0.339 0.000 0.908 514 S CB 0.091 63.122 63.200 -0.280 0.000 0.781 514 S HN 0.293 nan 8.310 nan 0.000 0.519 515 Q N 2.279 121.700 119.800 -0.631 0.000 2.260 515 Q HA 0.281 4.644 4.340 0.038 0.000 0.242 515 Q C 0.584 176.198 176.000 -0.643 0.000 0.932 515 Q CA -0.116 55.276 55.803 -0.683 0.000 0.891 515 Q CB 0.491 28.756 28.738 -0.789 0.000 1.222 515 Q HN 0.426 nan 8.270 nan 0.000 0.453 516 T N -1.567 112.566 114.554 -0.701 0.000 2.802 516 T HA 0.122 4.495 4.350 0.038 0.000 0.305 516 T C -1.742 172.499 174.700 -0.766 0.000 1.053 516 T CA -1.176 60.468 62.100 -0.760 0.000 1.058 516 T CB 0.290 68.459 68.868 -1.165 0.000 0.988 516 T HN 0.238 nan 8.240 nan 0.000 0.539 517 P HA 0.017 nan 4.420 nan 0.000 0.218 517 P C 1.344 178.438 177.300 -0.343 0.000 1.149 517 P CA 0.859 63.739 63.100 -0.367 0.000 0.817 517 P CB -0.229 31.371 31.700 -0.165 0.000 0.785 518 F N -0.139 119.610 119.950 -0.334 0.000 2.206 518 F HA 0.046 4.595 4.527 0.038 0.000 0.298 518 F C 1.809 177.234 175.800 -0.625 0.000 1.090 518 F CA 0.850 58.581 58.000 -0.447 0.000 1.323 518 F CB -1.576 37.155 39.000 -0.448 0.000 1.028 518 F HN -0.116 nan 8.300 nan 0.000 0.492 519 E N 0.649 120.242 120.200 -1.013 0.000 2.077 519 E HA -0.221 4.152 4.350 0.038 0.000 0.193 519 E C 2.208 178.595 176.600 -0.355 0.000 0.989 519 E CA 1.478 57.523 56.400 -0.593 0.000 0.800 519 E CB -0.321 28.988 29.700 -0.652 0.000 0.746 519 E HN 0.624 nan 8.360 nan 0.000 0.452 520 Q N 0.419 119.932 119.800 -0.479 0.000 2.077 520 Q HA -0.223 4.140 4.340 0.038 0.000 0.206 520 Q C 2.289 178.310 176.000 0.035 0.000 0.989 520 Q CA 1.426 56.995 55.803 -0.390 0.000 0.853 520 Q CB -0.219 28.013 28.738 -0.844 0.000 0.907 520 Q HN 0.136 nan 8.270 nan 0.000 0.418 521 R N -0.053 120.439 120.500 -0.014 0.000 2.091 521 R HA -0.178 4.185 4.340 0.038 0.000 0.238 521 R C 1.836 178.306 176.300 0.283 0.000 1.136 521 R CA 1.707 57.891 56.100 0.139 0.000 0.959 521 R CB -0.112 30.246 30.300 0.096 0.000 0.856 521 R HN 0.496 nan 8.270 nan 0.000 0.437 522 H N -0.694 118.465 119.070 0.148 0.000 2.395 522 H HA -0.038 4.541 4.556 0.038 0.000 0.299 522 H C 2.168 177.605 175.328 0.182 0.000 1.070 522 H CA 1.141 57.291 56.048 0.169 0.000 1.356 522 H CB 0.092 29.959 29.762 0.175 0.000 1.401 522 H HN 0.208 nan 8.280 nan 0.000 0.524 523 I N 0.293 121.072 120.570 0.348 0.000 2.179 523 I HA -0.263 3.930 4.170 0.038 0.000 0.242 523 I C 2.276 178.672 176.117 0.464 0.000 1.088 523 I CA 0.806 62.346 61.300 0.400 0.000 1.357 523 I CB -0.128 38.201 38.000 0.550 0.000 1.051 523 I HN 0.086 nan 8.210 nan 0.000 0.409 524 V N 0.881 121.060 119.914 0.441 0.000 2.287 524 V HA -0.323 3.820 4.120 0.038 0.000 0.248 524 V C 2.035 178.296 176.094 0.278 0.000 1.053 524 V CA 2.125 64.632 62.300 0.346 0.000 1.027 524 V CB -0.682 31.308 31.823 0.278 0.000 0.646 524 V HN 0.425 nan 8.190 nan 0.000 0.447 525 D N 0.390 120.939 120.400 0.248 0.000 2.144 525 D HA -0.093 4.570 4.640 0.038 0.000 0.200 525 D C 2.161 178.532 176.300 0.119 0.000 0.978 525 D CA 1.541 55.654 54.000 0.188 0.000 0.833 525 D CB -0.538 40.377 40.800 0.192 0.000 0.961 525 D HN 0.489 nan 8.370 nan 0.000 0.470 526 G N -0.034 108.817 108.800 0.084 0.000 2.404 526 G HA2 -0.217 3.766 3.960 0.038 0.000 0.215 526 G HA3 -0.217 3.766 3.960 0.038 0.000 0.215 526 G C 1.453 176.348 174.900 -0.009 0.000 1.174 526 G CA 0.071 45.128 45.100 -0.071 0.000 0.780 526 G HN 0.160 nan 8.290 nan 0.000 0.537 527 F N 1.833 121.816 119.950 0.055 0.000 2.126 527 F HA -0.086 4.464 4.527 0.038 0.000 0.299 527 F C 3.145 178.860 175.800 -0.142 0.000 1.096 527 F CA 1.628 59.596 58.000 -0.053 0.000 1.255 527 F CB -0.262 38.710 39.000 -0.047 0.000 0.997 527 F HN 0.082 nan 8.300 nan 0.000 0.479 528 S N -0.286 115.499 115.700 0.143 0.000 2.368 528 S HA -0.189 4.304 4.470 0.038 0.000 0.224 528 S C 1.862 176.478 174.600 0.027 0.000 1.029 528 S CA 1.157 59.392 58.200 0.059 0.000 0.988 528 S CB -0.701 62.557 63.200 0.098 0.000 0.838 528 S HN 0.396 nan 8.310 nan 0.000 0.462 529 F N 2.603 122.505 119.950 -0.080 0.000 2.113 529 F HA -0.093 4.456 4.527 0.037 0.000 0.297 529 F C 2.345 178.076 175.800 -0.115 0.000 1.103 529 F CA 1.473 59.414 58.000 -0.098 0.000 1.248 529 F CB -0.278 38.600 39.000 -0.202 0.000 0.999 529 F HN 0.128 nan 8.300 nan 0.000 0.475 530 E N 0.577 120.767 120.200 -0.017 0.000 2.051 530 E HA -0.223 4.150 4.350 0.038 0.000 0.192 530 E C 2.354 178.754 176.600 -0.333 0.000 0.991 530 E CA 1.671 58.020 56.400 -0.084 0.000 0.799 530 E CB -0.547 29.241 29.700 0.145 0.000 0.748 530 E HN 0.478 nan 8.360 nan 0.000 0.449 531 L N 1.355 122.300 121.223 -0.462 0.000 2.201 531 L HA -0.120 4.243 4.340 0.038 0.000 0.212 531 L C 2.688 179.386 176.870 -0.286 0.000 1.105 531 L CA 1.035 55.577 54.840 -0.497 0.000 0.775 531 L CB -0.380 41.396 42.059 -0.471 0.000 0.913 531 L HN 0.142 nan 8.230 nan 0.000 0.440 532 S N -0.911 114.635 115.700 -0.256 0.000 2.474 532 S HA -0.102 4.391 4.470 0.038 0.000 0.235 532 S C 1.775 176.255 174.600 -0.200 0.000 0.997 532 S CA 0.589 58.666 58.200 -0.205 0.000 0.949 532 S CB -0.096 62.980 63.200 -0.207 0.000 0.766 532 S HN 0.240 nan 8.310 nan 0.000 0.517 533 K N 1.207 121.464 120.400 -0.238 0.000 2.404 533 K HA 0.347 4.690 4.320 0.038 0.000 0.194 533 K C -0.076 176.516 176.600 -0.013 0.000 1.023 533 K CA -0.038 56.167 56.287 -0.136 0.000 1.094 533 K CB -0.029 32.379 32.500 -0.155 0.000 0.841 533 K HN 0.324 nan 8.250 nan 0.000 0.523 534 V N 2.273 122.160 119.914 -0.044 0.000 2.427 534 V HA 0.007 4.150 4.120 0.038 0.000 0.268 534 V C 1.678 177.755 176.094 -0.028 0.000 1.046 534 V CA -0.084 62.215 62.300 -0.001 0.000 0.970 534 V CB 1.237 33.025 31.823 -0.059 0.000 1.001 534 V HN -0.132 nan 8.190 nan 0.000 0.476 535 V N 5.101 125.020 119.914 0.009 0.000 2.453 535 V HA -0.032 4.111 4.120 0.038 0.000 0.247 535 V C 1.327 177.404 176.094 -0.027 0.000 1.048 535 V CA 1.164 63.465 62.300 0.003 0.000 1.049 535 V CB -0.490 31.352 31.823 0.031 0.000 0.672 535 V HN 0.757 nan 8.190 nan 0.000 0.457 536 R N 1.020 121.479 120.500 -0.068 0.000 2.248 536 R HA 0.168 4.531 4.340 0.038 0.000 0.337 536 R C -1.708 174.465 176.300 -0.212 0.000 1.085 536 R CA -1.319 54.705 56.100 -0.128 0.000 0.934 536 R CB 0.532 30.689 30.300 -0.238 0.000 1.034 536 R HN 0.262 nan 8.270 nan 0.000 0.465 537 P HA -0.205 nan 4.420 nan 0.000 0.218 537 P C 0.761 178.010 177.300 -0.084 0.000 1.149 537 P CA 1.105 64.165 63.100 -0.067 0.000 0.817 537 P CB -0.015 31.688 31.700 0.006 0.000 0.785 538 Y N -0.995 119.305 120.300 0.000 0.000 2.256 538 Y HA -0.149 4.423 4.550 0.038 0.000 0.288 538 Y C 1.914 177.821 175.900 0.011 0.000 1.155 538 Y CA 0.842 58.944 58.100 0.002 0.000 1.203 538 Y CB -1.846 36.616 38.460 0.003 0.000 0.980 538 Y HN -0.097 nan 8.280 nan 0.000 0.530 539 I N 0.973 121.104 120.570 -0.732 0.000 2.252 539 I HA -0.258 3.935 4.170 0.038 0.000 0.245 539 I C 2.548 178.576 176.117 -0.149 0.000 1.102 539 I CA 1.506 62.573 61.300 -0.389 0.000 1.385 539 I CB -0.425 37.352 38.000 -0.372 0.000 1.064 539 I HN 0.196 nan 8.210 nan 0.000 0.414 540 R N 0.891 121.291 120.500 -0.166 0.000 2.091 540 R HA -0.195 4.168 4.340 0.038 0.000 0.238 540 R C 2.108 178.357 176.300 -0.086 0.000 1.136 540 R CA 1.545 57.562 56.100 -0.139 0.000 0.959 540 R CB -0.486 29.729 30.300 -0.141 0.000 0.856 540 R HN 0.468 nan 8.270 nan 0.000 0.437 541 E N 0.528 120.699 120.200 -0.049 0.000 2.077 541 E HA -0.152 4.221 4.350 0.038 0.000 0.193 541 E C 2.158 178.763 176.600 0.008 0.000 0.989 541 E CA 1.030 57.424 56.400 -0.011 0.000 0.800 541 E CB -0.017 29.701 29.700 0.030 0.000 0.746 541 E HN 0.280 nan 8.360 nan 0.000 0.452 542 R N 0.274 120.793 120.500 0.032 0.000 2.092 542 R HA -0.091 4.272 4.340 0.038 0.000 0.231 542 R C 2.398 178.724 176.300 0.043 0.000 1.119 542 R CA 0.972 57.105 56.100 0.055 0.000 0.970 542 R CB -0.241 30.112 30.300 0.089 0.000 0.864 542 R HN 0.053 nan 8.270 nan 0.000 0.440 543 V N 0.406 120.341 119.914 0.034 0.000 2.343 543 V HA -0.209 3.934 4.120 0.038 0.000 0.247 543 V C 2.291 178.367 176.094 -0.029 0.000 1.051 543 V CA 1.524 63.856 62.300 0.052 0.000 1.036 543 V CB -0.286 31.582 31.823 0.076 0.000 0.654 543 V HN 0.127 nan 8.190 nan 0.000 0.451 544 V N 0.491 120.363 119.914 -0.070 0.000 2.332 544 V HA -0.328 3.815 4.120 0.038 0.000 0.248 544 V C 2.303 178.359 176.094 -0.063 0.000 1.055 544 V CA 2.495 64.733 62.300 -0.103 0.000 1.038 544 V CB -0.719 31.047 31.823 -0.095 0.000 0.651 544 V HN 0.655 nan 8.190 nan 0.000 0.450 545 D N -0.609 119.787 120.400 -0.008 0.000 2.149 545 D HA -0.217 4.446 4.640 0.038 0.000 0.198 545 D C 2.275 178.655 176.300 0.133 0.000 0.990 545 D CA 1.485 55.514 54.000 0.049 0.000 0.839 545 D CB -0.049 40.795 40.800 0.075 0.000 0.948 545 D HN 0.519 nan 8.370 nan 0.000 0.460 546 Q N -0.460 119.389 119.800 0.082 0.000 2.084 546 Q HA -0.095 4.268 4.340 0.038 0.000 0.202 546 Q C 2.487 178.522 176.000 0.058 0.000 0.978 546 Q CA 0.857 56.719 55.803 0.099 0.000 0.844 546 Q CB -0.091 28.719 28.738 0.120 0.000 0.898 546 Q HN 0.401 nan 8.270 nan 0.000 0.426 547 L N 0.187 121.374 121.223 -0.060 0.000 2.079 547 L HA -0.207 4.156 4.340 0.038 0.000 0.210 547 L C 2.428 179.186 176.870 -0.186 0.000 1.081 547 L CA 0.970 55.693 54.840 -0.195 0.000 0.752 547 L CB -0.640 41.197 42.059 -0.369 0.000 0.896 547 L HN 0.222 nan 8.230 nan 0.000 0.433 548 A N -0.834 121.903 122.820 -0.138 0.000 2.067 548 A HA -0.196 4.147 4.320 0.038 0.000 0.219 548 A C 1.775 179.195 177.584 -0.274 0.000 1.158 548 A CA 1.226 53.148 52.037 -0.192 0.000 0.661 548 A CB -0.721 18.172 19.000 -0.179 0.000 0.801 548 A HN 0.451 nan 8.150 nan 0.000 0.452 549 H N -1.136 117.729 119.070 -0.342 0.000 2.547 549 H HA 0.223 4.803 4.556 0.039 0.000 0.272 549 H C 1.552 176.603 175.328 -0.461 0.000 0.989 549 H CA 1.132 56.833 56.048 -0.578 0.000 1.214 549 H CB 0.045 29.044 29.762 -1.272 0.000 1.389 549 H HN 0.513 nan 8.280 nan 0.000 0.577 550 I N -1.323 119.153 120.570 -0.156 0.000 2.899 550 I HA 0.092 4.285 4.170 0.038 0.000 0.257 550 I C -0.181 175.864 176.117 -0.120 0.000 1.115 550 I CA 0.381 61.650 61.300 -0.051 0.000 1.451 550 I CB 0.716 38.715 38.000 -0.002 0.000 1.251 550 I HN 0.075 nan 8.210 nan 0.000 0.456 551 D N -0.219 120.040 120.400 -0.236 0.000 2.804 551 D HA 0.150 4.813 4.640 0.038 0.000 0.209 551 D C 0.277 176.419 176.300 -0.264 0.000 1.314 551 D CA -0.333 53.512 54.000 -0.258 0.000 0.894 551 D CB 1.442 41.955 40.800 -0.478 0.000 1.615 551 D HN -0.046 nan 8.370 nan 0.000 0.571 552 L N 2.928 124.056 121.223 -0.160 0.000 2.083 552 L HA -0.089 4.274 4.340 0.038 0.000 0.209 552 L C 1.221 178.019 176.870 -0.120 0.000 1.083 552 L CA 1.873 56.632 54.840 -0.135 0.000 0.752 552 L CB -0.416 41.592 42.059 -0.086 0.000 0.899 552 L HN 0.559 nan 8.230 nan 0.000 0.433 553 T N 0.535 115.044 114.554 -0.075 0.000 2.812 553 T HA -0.160 4.213 4.350 0.038 0.000 0.264 553 T C 1.801 176.461 174.700 -0.068 0.000 1.042 553 T CA 1.275 63.377 62.100 0.003 0.000 1.140 553 T CB -0.220 68.738 68.868 0.150 0.000 0.870 553 T HN 0.261 nan 8.240 nan 0.000 0.445 554 L N 1.941 122.972 121.223 -0.320 0.000 1.989 554 L HA -0.001 4.362 4.340 0.038 0.000 0.211 554 L C 2.614 179.272 176.870 -0.353 0.000 1.071 554 L CA 2.189 56.681 54.840 -0.580 0.000 0.749 554 L CB -1.261 40.021 42.059 -1.296 0.000 0.890 554 L HN 0.215 nan 8.230 nan 0.000 0.431 555 A N -1.131 121.490 122.820 -0.331 0.000 1.883 555 A HA -0.289 4.054 4.320 0.038 0.000 0.217 555 A C 2.230 179.719 177.584 -0.158 0.000 1.186 555 A CA 2.023 53.912 52.037 -0.247 0.000 0.624 555 A CB -0.718 18.154 19.000 -0.213 0.000 0.822 555 A HN 0.697 nan 8.150 nan 0.000 0.444 556 Q N -0.871 118.860 119.800 -0.116 0.000 2.084 556 Q HA -0.111 4.252 4.340 0.038 0.000 0.202 556 Q C 2.438 178.413 176.000 -0.042 0.000 0.978 556 Q CA 1.451 57.215 55.803 -0.065 0.000 0.844 556 Q CB -0.375 28.339 28.738 -0.040 0.000 0.898 556 Q HN 0.702 nan 8.270 nan 0.000 0.426 557 A N 0.050 122.852 122.820 -0.030 0.000 1.898 557 A HA -0.130 4.213 4.320 0.038 0.000 0.216 557 A C 2.284 179.868 177.584 0.001 0.000 1.181 557 A CA 1.294 53.339 52.037 0.014 0.000 0.620 557 A CB -0.590 18.450 19.000 0.067 0.000 0.819 557 A HN 0.216 nan 8.150 nan 0.000 0.442 558 V N -0.123 119.763 119.914 -0.048 0.000 2.307 558 V HA -0.214 3.929 4.120 0.038 0.000 0.245 558 V C 3.070 179.131 176.094 -0.055 0.000 1.045 558 V CA 1.817 64.085 62.300 -0.053 0.000 1.024 558 V CB -1.312 30.429 31.823 -0.137 0.000 0.651 558 V HN 0.604 nan 8.190 nan 0.000 0.449 559 A N 0.019 122.795 122.820 -0.073 0.000 1.917 559 A HA -0.338 4.005 4.320 0.038 0.000 0.219 559 A C 2.305 179.869 177.584 -0.033 0.000 1.182 559 A CA 2.544 54.546 52.037 -0.059 0.000 0.633 559 A CB -0.571 18.392 19.000 -0.062 0.000 0.819 559 A HN 0.548 nan 8.150 nan 0.000 0.448 560 K N -0.368 120.021 120.400 -0.019 0.000 2.032 560 K HA -0.189 4.154 4.320 0.038 0.000 0.209 560 K C 1.569 178.172 176.600 0.006 0.000 1.048 560 K CA 1.753 58.039 56.287 -0.002 0.000 0.927 560 K CB -0.196 32.310 32.500 0.010 0.000 0.712 560 K HN 0.447 nan 8.250 nan 0.000 0.441 561 N N 0.199 118.906 118.700 0.011 0.000 2.453 561 N HA -0.104 4.659 4.740 0.038 0.000 0.183 561 N C 0.646 176.157 175.510 0.001 0.000 1.041 561 N CA 0.722 53.784 53.050 0.021 0.000 0.900 561 N CB 0.113 38.625 38.487 0.041 0.000 0.961 561 N HN 0.154 nan 8.380 nan 0.000 0.443 562 L N -0.527 120.685 121.223 -0.018 0.000 2.728 562 L HA 0.317 4.680 4.340 0.038 0.000 0.238 562 L C 1.090 177.945 176.870 -0.025 0.000 1.143 562 L CA 0.000 54.820 54.840 -0.034 0.000 0.937 562 L CB -0.837 41.187 42.059 -0.058 0.000 1.225 562 L HN 0.152 nan 8.230 nan 0.000 0.507 563 G N 1.024 109.816 108.800 -0.014 0.000 2.305 563 G HA2 -0.298 3.685 3.960 0.038 0.000 0.287 563 G HA3 -0.298 3.685 3.960 0.038 0.000 0.287 563 G C 0.345 175.236 174.900 -0.014 0.000 1.036 563 G CA 0.432 45.526 45.100 -0.010 0.000 0.887 563 G HN 0.341 nan 8.290 nan 0.000 0.505 564 I N -0.367 120.190 120.570 -0.021 0.000 2.460 564 I HA 0.425 4.618 4.170 0.038 0.000 0.298 564 I C 0.310 176.413 176.117 -0.023 0.000 0.989 564 I CA -0.698 60.588 61.300 -0.024 0.000 1.173 564 I CB 1.782 39.761 38.000 -0.035 0.000 1.338 564 I HN 0.051 nan 8.210 nan 0.000 0.456 565 E N 4.656 124.844 120.200 -0.020 0.000 2.171 565 E HA 0.333 4.706 4.350 0.038 0.000 0.271 565 E C -1.193 175.391 176.600 -0.026 0.000 0.916 565 E CA -1.090 55.297 56.400 -0.021 0.000 0.774 565 E CB 1.925 31.616 29.700 -0.014 0.000 1.128 565 E HN 0.255 nan 8.360 nan 0.000 0.403 566 L N 3.179 124.382 121.223 -0.034 0.000 2.490 566 L HA 0.005 4.368 4.340 0.038 0.000 0.274 566 L C 1.181 178.031 176.870 -0.034 0.000 1.201 566 L CA 0.599 55.414 54.840 -0.041 0.000 0.869 566 L CB 0.163 42.190 42.059 -0.054 0.000 1.123 566 L HN 0.601 nan 8.230 nan 0.000 0.484 567 T N -0.989 113.545 114.554 -0.033 0.000 2.726 567 T HA 0.102 4.475 4.350 0.038 0.000 0.294 567 T C 0.931 175.610 174.700 -0.035 0.000 1.013 567 T CA -0.471 61.612 62.100 -0.029 0.000 0.996 567 T CB 0.518 69.372 68.868 -0.023 0.000 1.016 567 T HN 0.554 nan 8.240 nan 0.000 0.529 568 D N 0.216 120.599 120.400 -0.030 0.000 2.123 568 D HA -0.071 4.592 4.640 0.038 0.000 0.196 568 D C 1.748 178.023 176.300 -0.042 0.000 0.992 568 D CA 1.210 55.191 54.000 -0.032 0.000 0.833 568 D CB -0.207 40.579 40.800 -0.024 0.000 0.954 568 D HN 0.584 nan 8.370 nan 0.000 0.455 569 D N 0.027 120.403 120.400 -0.041 0.000 2.117 569 D HA -0.130 4.533 4.640 0.038 0.000 0.197 569 D C 2.052 178.302 176.300 -0.083 0.000 0.987 569 D CA 0.805 54.774 54.000 -0.052 0.000 0.829 569 D CB -0.221 40.555 40.800 -0.040 0.000 0.961 569 D HN 0.371 nan 8.370 nan 0.000 0.460 570 Q N -0.341 119.409 119.800 -0.083 0.000 2.119 570 Q HA -0.075 4.288 4.340 0.038 0.000 0.201 570 Q C 1.869 177.796 176.000 -0.123 0.000 0.972 570 Q CA 0.420 56.151 55.803 -0.119 0.000 0.847 570 Q CB 0.065 28.747 28.738 -0.094 0.000 0.903 570 Q HN 0.157 nan 8.270 nan 0.000 0.433 571 L N 1.010 122.180 121.223 -0.088 0.000 2.362 571 L HA -0.100 4.263 4.340 0.038 0.000 0.219 571 L C 1.138 177.959 176.870 -0.081 0.000 1.134 571 L CA 1.449 56.242 54.840 -0.078 0.000 0.807 571 L CB -0.455 41.572 42.059 -0.054 0.000 0.927 571 L HN 0.257 nan 8.230 nan 0.000 0.447 572 N N -0.975 117.672 118.700 -0.088 0.000 2.203 572 N HA 0.177 4.940 4.740 0.038 0.000 0.207 572 N C 0.398 175.845 175.510 -0.105 0.000 1.130 572 N CA -0.034 52.968 53.050 -0.080 0.000 0.861 572 N CB 0.931 39.382 38.487 -0.060 0.000 1.005 572 N HN 0.222 nan 8.380 nan 0.000 0.507 573 I N 1.689 122.162 120.570 -0.161 0.000 2.598 573 I HA -0.041 4.152 4.170 0.038 0.000 0.284 573 I C 0.543 176.566 176.117 -0.157 0.000 1.140 573 I CA 0.350 61.522 61.300 -0.215 0.000 1.420 573 I CB 0.491 38.236 38.000 -0.425 0.000 1.387 573 I HN -0.174 nan 8.210 nan 0.000 0.553 574 T N 7.854 122.343 114.554 -0.109 0.000 2.888 574 T HA 0.150 4.523 4.350 0.038 0.000 0.301 574 T C -1.979 172.683 174.700 -0.063 0.000 1.001 574 T CA -0.736 61.325 62.100 -0.064 0.000 1.147 574 T CB 0.218 69.068 68.868 -0.030 0.000 0.931 574 T HN 0.362 nan 8.240 nan 0.000 0.541 575 P HA 0.200 nan 4.420 nan 0.000 0.270 575 P C -2.253 175.060 177.300 0.021 0.000 1.223 575 P CA -1.161 61.926 63.100 -0.021 0.000 0.785 575 P CB -0.279 31.421 31.700 -0.000 0.000 0.923 576 P HA 0.202 nan 4.420 nan 0.000 0.274 576 P C -2.406 174.948 177.300 0.091 0.000 1.237 576 P CA -1.394 61.772 63.100 0.109 0.000 0.793 576 P CB -0.847 30.964 31.700 0.185 0.000 0.977 577 P HA 0.068 nan 4.420 nan 0.000 0.270 577 P C -0.221 177.132 177.300 0.088 0.000 1.223 577 P CA 0.164 63.313 63.100 0.082 0.000 0.785 577 P CB 0.422 32.172 31.700 0.084 0.000 0.923 578 D N -0.207 120.237 120.400 0.073 0.000 2.361 578 D HA 0.086 4.749 4.640 0.038 0.000 0.239 578 D C -0.064 176.289 176.300 0.088 0.000 1.200 578 D CA 0.037 54.077 54.000 0.068 0.000 0.915 578 D CB 0.430 41.263 40.800 0.056 0.000 1.170 578 D HN 0.004 nan 8.370 nan 0.000 0.444 579 V N 2.143 122.099 119.914 0.070 0.000 2.368 579 V HA 0.049 4.192 4.120 0.038 0.000 0.266 579 V C 0.289 176.474 176.094 0.151 0.000 1.045 579 V CA -0.556 61.812 62.300 0.113 0.000 0.899 579 V CB -0.158 31.646 31.823 -0.031 0.000 1.006 579 V HN 0.565 nan 8.190 nan 0.000 0.470 580 N N 4.502 123.317 118.700 0.192 0.000 2.702 580 N HA -0.236 4.527 4.740 0.038 0.000 0.255 580 N C 1.178 176.754 175.510 0.110 0.000 0.983 580 N CA 1.124 54.271 53.050 0.161 0.000 0.768 580 N CB -0.850 37.775 38.487 0.230 0.000 0.918 580 N HN 1.317 nan 8.380 nan 0.000 0.540 581 G N -2.167 106.684 108.800 0.084 0.000 2.176 581 G HA2 -0.316 3.667 3.960 0.038 0.000 0.253 581 G HA3 -0.316 3.667 3.960 0.038 0.000 0.253 581 G C 0.073 175.005 174.900 0.053 0.000 0.979 581 G CA 0.230 45.366 45.100 0.060 0.000 0.641 581 G HN 0.396 nan 8.290 nan 0.000 0.530 582 L N 1.170 122.429 121.223 0.059 0.000 2.305 582 L HA 0.434 4.797 4.340 0.038 0.000 0.281 582 L C 1.593 178.479 176.870 0.028 0.000 1.085 582 L CA -0.246 54.619 54.840 0.041 0.000 0.813 582 L CB 1.203 43.286 42.059 0.041 0.000 1.157 582 L HN 0.261 nan 8.230 nan 0.000 0.436 583 K N 3.220 123.631 120.400 0.018 0.000 2.374 583 K HA 0.203 4.546 4.320 0.038 0.000 0.202 583 K C -0.290 176.305 176.600 -0.009 0.000 1.040 583 K CA -0.111 56.183 56.287 0.012 0.000 1.085 583 K CB 0.730 33.238 32.500 0.014 0.000 0.873 583 K HN 0.704 nan 8.250 nan 0.000 0.539 584 K N -0.359 120.032 120.400 -0.016 0.000 2.711 584 K HA 0.267 4.610 4.320 0.038 0.000 0.294 584 K C -2.171 174.412 176.600 -0.028 0.000 1.037 584 K CA -0.856 55.407 56.287 -0.041 0.000 0.858 584 K CB 0.980 33.435 32.500 -0.075 0.000 1.521 584 K HN -0.151 nan 8.250 nan 0.000 0.386 585 D N 1.299 121.676 120.400 -0.038 0.000 2.479 585 D HA 0.323 4.986 4.640 0.038 0.000 0.246 585 D C -2.193 174.092 176.300 -0.025 0.000 1.336 585 D CA -2.047 51.949 54.000 -0.008 0.000 0.967 585 D CB 2.189 43.006 40.800 0.028 0.000 1.275 585 D HN 0.259 nan 8.370 nan 0.000 0.577 586 P HA -0.090 nan 4.420 nan 0.000 0.225 586 P C 1.278 178.570 177.300 -0.014 0.000 1.148 586 P CA 0.768 63.840 63.100 -0.047 0.000 0.779 586 P CB 0.195 31.880 31.700 -0.025 0.000 0.780 587 S N -1.117 114.606 115.700 0.039 0.000 2.507 587 S HA -0.067 4.426 4.470 0.038 0.000 0.235 587 S C 1.661 176.347 174.600 0.144 0.000 0.988 587 S CA 0.793 59.054 58.200 0.101 0.000 0.944 587 S CB -1.386 61.895 63.200 0.134 0.000 0.762 587 S HN 0.151 nan 8.310 nan 0.000 0.526 588 L N 1.222 122.493 121.223 0.079 0.000 2.418 588 L HA 0.197 4.560 4.340 0.038 0.000 0.218 588 L C 1.522 178.294 176.870 -0.164 0.000 1.125 588 L CA 0.164 55.046 54.840 0.070 0.000 0.835 588 L CB -0.282 41.803 42.059 0.043 0.000 0.953 588 L HN 0.319 nan 8.230 nan 0.000 0.454 589 S N -0.304 115.281 115.700 -0.193 0.000 2.584 589 S HA 0.250 4.743 4.470 0.038 0.000 0.273 589 S C 1.120 175.605 174.600 -0.192 0.000 1.311 589 S CA -0.599 57.435 58.200 -0.277 0.000 1.034 589 S CB 1.165 64.200 63.200 -0.275 0.000 0.939 589 S HN 0.178 nan 8.310 nan 0.000 0.513 590 L N 3.274 124.298 121.223 -0.332 0.000 2.217 590 L HA 0.011 4.374 4.340 0.038 0.000 0.211 590 L C 0.735 177.353 176.870 -0.421 0.000 1.107 590 L CA 1.102 55.648 54.840 -0.490 0.000 0.783 590 L CB -0.264 41.186 42.059 -1.015 0.000 0.919 590 L HN 0.766 nan 8.230 nan 0.000 0.442 591 Y N -2.675 117.624 120.300 -0.000 0.000 2.476 591 Y HA 0.340 4.913 4.550 0.039 0.000 0.261 591 Y C 2.044 177.970 175.900 0.044 0.000 1.077 591 Y CA -0.287 57.864 58.100 0.087 0.000 1.240 591 Y CB -0.463 38.096 38.460 0.164 0.000 1.317 591 Y HN -0.071 nan 8.280 nan 0.000 0.540 592 A N 0.788 123.642 122.820 0.056 0.000 1.908 592 A HA -0.082 4.261 4.320 0.038 0.000 0.218 592 A C 0.933 178.553 177.584 0.060 0.000 1.181 592 A CA 1.195 53.237 52.037 0.008 0.000 0.627 592 A CB -0.752 18.196 19.000 -0.085 0.000 0.818 592 A HN 0.280 nan 8.150 nan 0.000 0.445 593 I N 0.769 121.381 120.570 0.070 0.000 2.312 593 I HA 0.246 4.439 4.170 0.038 0.000 0.290 593 I C -2.425 173.765 176.117 0.122 0.000 1.008 593 I CA -2.191 59.159 61.300 0.082 0.000 1.226 593 I CB 1.449 39.486 38.000 0.063 0.000 1.371 593 I HN 0.003 nan 8.210 nan 0.000 0.468 594 P HA -0.058 nan 4.420 nan 0.000 0.261 594 P C -0.235 177.140 177.300 0.125 0.000 1.173 594 P CA 0.621 63.809 63.100 0.146 0.000 0.760 594 P CB 0.479 32.247 31.700 0.114 0.000 0.783 595 D N 1.120 121.606 120.400 0.143 0.000 2.530 595 D HA 0.088 4.751 4.640 0.038 0.000 0.290 595 D C 0.498 176.861 176.300 0.104 0.000 1.398 595 D CA -0.200 53.868 54.000 0.114 0.000 0.848 595 D CB -0.292 40.577 40.800 0.116 0.000 1.279 595 D HN 0.380 nan 8.370 nan 0.000 0.483 596 G N 0.451 109.322 108.800 0.119 0.000 2.432 596 G HA2 0.351 4.334 3.960 0.038 0.000 0.239 596 G HA3 0.351 4.334 3.960 0.038 0.000 0.239 596 G C -0.564 174.373 174.900 0.061 0.000 1.291 596 G CA 0.008 45.169 45.100 0.100 0.000 0.863 596 G HN 0.207 nan 8.290 nan 0.000 0.560 597 D N 0.821 121.248 120.400 0.044 0.000 2.788 597 D HA 0.194 4.857 4.640 0.038 0.000 0.247 597 D C 0.970 177.279 176.300 0.014 0.000 1.236 597 D CA -0.633 53.379 54.000 0.021 0.000 0.898 597 D CB 1.912 42.717 40.800 0.009 0.000 1.401 597 D HN 0.284 nan 8.370 nan 0.000 0.549 598 V N 1.790 121.705 119.914 0.002 0.000 3.541 598 V HA 0.235 4.378 4.120 0.038 0.000 0.267 598 V C 0.997 177.069 176.094 -0.036 0.000 1.213 598 V CA 0.068 62.365 62.300 -0.006 0.000 1.149 598 V CB -0.738 31.078 31.823 -0.011 0.000 0.822 598 V HN 0.390 nan 8.190 nan 0.000 0.462 599 K N 1.304 121.676 120.400 -0.047 0.000 2.412 599 K HA 0.418 4.761 4.320 0.038 0.000 0.281 599 K C 1.262 177.815 176.600 -0.078 0.000 1.027 599 K CA 1.050 57.286 56.287 -0.085 0.000 0.989 599 K CB 0.231 32.688 32.500 -0.071 0.000 0.935 599 K HN 0.648 nan 8.250 nan 0.000 0.475 600 G N 3.080 111.796 108.800 -0.139 0.000 2.217 600 G HA2 -0.223 3.760 3.960 0.038 0.000 0.246 600 G HA3 -0.223 3.760 3.960 0.038 0.000 0.246 600 G C 0.060 174.996 174.900 0.060 0.000 0.990 600 G CA -0.162 44.930 45.100 -0.013 0.000 0.627 600 G HN 0.568 nan 8.290 nan 0.000 0.522 601 R N -0.078 120.430 120.500 0.013 0.000 2.726 601 R HA 0.618 4.981 4.340 0.038 0.000 0.272 601 R C 0.278 176.631 176.300 0.088 0.000 1.097 601 R CA -0.049 56.091 56.100 0.066 0.000 1.198 601 R CB 0.511 30.844 30.300 0.054 0.000 1.114 601 R HN 0.414 nan 8.270 nan 0.000 0.550 602 V N 0.596 120.584 119.914 0.123 0.000 2.709 602 V HA 0.394 4.537 4.120 0.038 0.000 0.308 602 V C -0.233 175.927 176.094 0.110 0.000 1.062 602 V CA -0.945 61.442 62.300 0.145 0.000 0.901 602 V CB 2.340 34.273 31.823 0.183 0.000 1.003 602 V HN 0.364 nan 8.190 nan 0.000 0.425 603 V N 2.582 122.554 119.914 0.097 0.000 2.581 603 V HA 0.797 4.940 4.120 0.038 0.000 0.303 603 V C 0.472 176.624 176.094 0.095 0.000 1.041 603 V CA -0.563 61.786 62.300 0.082 0.000 0.907 603 V CB 1.909 33.765 31.823 0.054 0.000 0.994 603 V HN 1.068 nan 8.190 nan 0.000 0.442 604 A N 5.649 128.531 122.820 0.105 0.000 2.331 604 A HA 0.794 5.137 4.320 0.038 0.000 0.283 604 A C -0.507 177.091 177.584 0.023 0.000 1.142 604 A CA -0.266 51.821 52.037 0.082 0.000 0.812 604 A CB 0.104 19.187 19.000 0.138 0.000 1.074 604 A HN 0.759 nan 8.150 nan 0.000 0.497 605 I N 3.218 123.796 120.570 0.013 0.000 2.410 605 I HA 0.223 4.416 4.170 0.038 0.000 0.286 605 I C -0.691 175.436 176.117 0.016 0.000 1.009 605 I CA -0.209 61.100 61.300 0.016 0.000 1.111 605 I CB 1.556 39.577 38.000 0.036 0.000 1.262 605 I HN 0.481 nan 8.210 nan 0.000 0.443 606 L N 7.227 128.450 121.223 0.000 0.000 2.268 606 L HA 0.436 4.799 4.340 0.038 0.000 0.289 606 L C 0.012 176.985 176.870 0.172 0.000 1.064 606 L CA -0.400 54.498 54.840 0.097 0.000 0.824 606 L CB 0.268 42.248 42.059 -0.132 0.000 1.202 606 L HN 0.450 nan 8.230 nan 0.000 0.433 607 L N 3.488 124.850 121.223 0.232 0.000 2.475 607 L HA 0.310 4.673 4.340 0.038 0.000 0.253 607 L C 0.179 177.214 176.870 0.275 0.000 1.198 607 L CA -0.369 54.559 54.840 0.145 0.000 0.814 607 L CB 0.729 42.778 42.059 -0.018 0.000 1.134 607 L HN 0.701 nan 8.230 nan 0.000 0.478 608 N N -2.306 116.453 118.700 0.098 0.000 2.629 608 N HA 0.212 4.975 4.740 0.038 0.000 0.279 608 N C -0.314 175.140 175.510 -0.093 0.000 1.344 608 N CA -0.751 52.399 53.050 0.165 0.000 0.789 608 N CB 0.735 39.324 38.487 0.171 0.000 1.508 608 N HN 0.550 nan 8.380 nan 0.000 0.516 609 D N -1.488 118.909 120.400 -0.005 0.000 2.363 609 D HA -0.098 4.565 4.640 0.038 0.000 0.226 609 D C -0.410 175.845 176.300 -0.075 0.000 1.020 609 D CA 0.833 54.767 54.000 -0.111 0.000 0.892 609 D CB -0.030 40.785 40.800 0.026 0.000 0.900 609 D HN 0.753 nan 8.370 nan 0.000 0.531 610 E N 0.571 120.747 120.200 -0.041 0.000 3.544 610 E HA 0.208 4.581 4.350 0.038 0.000 0.264 610 E C -1.163 175.420 176.600 -0.028 0.000 1.225 610 E CA -0.390 55.989 56.400 -0.036 0.000 1.045 610 E CB 1.058 30.747 29.700 -0.019 0.000 1.338 610 E HN -0.140 nan 8.360 nan 0.000 0.395 611 V N 2.373 122.262 119.914 -0.041 0.000 2.673 611 V HA -0.003 4.140 4.120 0.038 0.000 0.303 611 V C 0.933 177.011 176.094 -0.028 0.000 1.046 611 V CA 0.422 62.705 62.300 -0.028 0.000 1.126 611 V CB 0.623 32.424 31.823 -0.037 0.000 0.934 611 V HN 0.515 nan 8.190 nan 0.000 0.487 612 R N 3.681 124.166 120.500 -0.026 0.000 2.498 612 R HA 0.003 4.366 4.340 0.038 0.000 0.334 612 R C 1.660 177.938 176.300 -0.036 0.000 1.106 612 R CA 0.527 56.607 56.100 -0.034 0.000 0.995 612 R CB 0.090 30.365 30.300 -0.042 0.000 0.989 612 R HN 1.010 nan 8.270 nan 0.000 0.455 613 S N 2.968 118.649 115.700 -0.033 0.000 2.402 613 S HA -0.258 4.235 4.470 0.038 0.000 0.233 613 S C 1.945 176.526 174.600 -0.031 0.000 1.030 613 S CA 1.025 59.208 58.200 -0.030 0.000 1.003 613 S CB -0.139 63.045 63.200 -0.026 0.000 0.813 613 S HN 0.682 nan 8.310 nan 0.000 0.477 614 A N 2.010 124.809 122.820 -0.036 0.000 2.015 614 A HA -0.075 4.268 4.320 0.038 0.000 0.219 614 A C 1.926 179.478 177.584 -0.053 0.000 1.163 614 A CA 1.461 53.474 52.037 -0.039 0.000 0.646 614 A CB -0.619 18.356 19.000 -0.041 0.000 0.806 614 A HN 0.462 nan 8.150 nan 0.000 0.448 615 D N -0.261 120.099 120.400 -0.067 0.000 2.117 615 D HA -0.094 4.569 4.640 0.038 0.000 0.198 615 D C 1.878 178.147 176.300 -0.052 0.000 0.982 615 D CA 0.721 54.665 54.000 -0.093 0.000 0.828 615 D CB -0.235 40.496 40.800 -0.115 0.000 0.967 615 D HN 0.367 nan 8.370 nan 0.000 0.464 616 L N 0.479 121.684 121.223 -0.030 0.000 2.109 616 L HA -0.041 4.322 4.340 0.038 0.000 0.207 616 L C 2.333 179.201 176.870 -0.003 0.000 1.086 616 L CA 0.504 55.338 54.840 -0.009 0.000 0.760 616 L CB -0.149 41.904 42.059 -0.011 0.000 0.910 616 L HN 0.062 nan 8.230 nan 0.000 0.437 617 L N -0.299 120.917 121.223 -0.011 0.000 2.042 617 L HA -0.229 4.134 4.340 0.038 0.000 0.210 617 L C 2.770 179.641 176.870 0.002 0.000 1.076 617 L CA 1.458 56.295 54.840 -0.005 0.000 0.749 617 L CB -0.618 41.435 42.059 -0.009 0.000 0.893 617 L HN 0.289 nan 8.230 nan 0.000 0.432 618 A N -0.205 122.614 122.820 -0.002 0.000 1.929 618 A HA -0.111 4.232 4.320 0.038 0.000 0.216 618 A C 2.158 179.762 177.584 0.034 0.000 1.176 618 A CA 1.107 53.150 52.037 0.011 0.000 0.628 618 A CB -0.477 18.523 19.000 -0.000 0.000 0.816 618 A HN 0.333 nan 8.150 nan 0.000 0.444 619 I N -0.231 120.363 120.570 0.039 0.000 2.163 619 I HA -0.243 3.950 4.170 0.038 0.000 0.240 619 I C 2.322 178.469 176.117 0.051 0.000 1.081 619 I CA 1.160 62.503 61.300 0.072 0.000 1.353 619 I CB -0.301 37.747 38.000 0.080 0.000 1.054 619 I HN 0.267 nan 8.210 nan 0.000 0.407 620 L N 0.440 121.684 121.223 0.035 0.000 2.141 620 L HA -0.211 4.152 4.340 0.038 0.000 0.209 620 L C 2.614 179.498 176.870 0.023 0.000 1.094 620 L CA 1.207 56.064 54.840 0.029 0.000 0.763 620 L CB -0.636 41.438 42.059 0.025 0.000 0.908 620 L HN 0.260 nan 8.230 nan 0.000 0.437 621 K N 0.642 121.054 120.400 0.020 0.000 2.032 621 K HA -0.204 4.139 4.320 0.038 0.000 0.209 621 K C 2.073 178.682 176.600 0.014 0.000 1.048 621 K CA 1.635 57.931 56.287 0.015 0.000 0.927 621 K CB -0.026 32.483 32.500 0.014 0.000 0.712 621 K HN 0.285 nan 8.250 nan 0.000 0.441 622 A N 0.929 123.762 122.820 0.022 0.000 1.970 622 A HA 0.013 4.356 4.320 0.038 0.000 0.216 622 A C 2.089 179.678 177.584 0.007 0.000 1.170 622 A CA 0.592 52.640 52.037 0.020 0.000 0.645 622 A CB -0.303 18.719 19.000 0.037 0.000 0.816 622 A HN 0.258 nan 8.150 nan 0.000 0.447 623 L N -0.541 120.688 121.223 0.010 0.000 2.027 623 L HA -0.188 4.175 4.340 0.038 0.000 0.206 623 L C 2.593 179.446 176.870 -0.029 0.000 1.074 623 L CA 1.929 56.764 54.840 -0.008 0.000 0.745 623 L CB -0.474 41.589 42.059 0.006 0.000 0.898 623 L HN 0.427 nan 8.230 nan 0.000 0.433 624 K N 0.482 120.874 120.400 -0.013 0.000 2.074 624 K HA -0.231 4.112 4.320 0.038 0.000 0.209 624 K C 2.017 178.602 176.600 -0.026 0.000 1.048 624 K CA 1.634 57.910 56.287 -0.018 0.000 0.926 624 K CB -0.148 32.353 32.500 0.002 0.000 0.713 624 K HN 0.296 nan 8.250 nan 0.000 0.444 625 A N 0.613 123.423 122.820 -0.017 0.000 2.121 625 A HA -0.091 4.252 4.320 0.038 0.000 0.218 625 A C 1.407 178.975 177.584 -0.027 0.000 1.154 625 A CA 1.221 53.248 52.037 -0.017 0.000 0.679 625 A CB -0.062 18.934 19.000 -0.007 0.000 0.795 625 A HN 0.202 nan 8.150 nan 0.000 0.458 626 K N -1.474 118.903 120.400 -0.038 0.000 2.373 626 K HA 0.226 4.569 4.320 0.038 0.000 0.202 626 K C 0.852 177.403 176.600 -0.082 0.000 1.025 626 K CA 0.561 56.820 56.287 -0.048 0.000 1.115 626 K CB 0.382 32.859 32.500 -0.038 0.000 0.858 626 K HN 0.634 nan 8.250 nan 0.000 0.525 627 G N 1.775 110.511 108.800 -0.106 0.000 2.160 627 G HA2 -0.229 3.754 3.960 0.038 0.000 0.251 627 G HA3 -0.229 3.754 3.960 0.038 0.000 0.251 627 G C 0.062 174.757 174.900 -0.341 0.000 1.008 627 G CA 0.143 45.133 45.100 -0.184 0.000 0.724 627 G HN 0.121 nan 8.290 nan 0.000 0.514 628 V N 0.730 120.491 119.914 -0.256 0.000 2.439 628 V HA 0.510 4.653 4.120 0.038 0.000 0.282 628 V C 0.768 176.701 176.094 -0.268 0.000 1.039 628 V CA -0.726 61.422 62.300 -0.253 0.000 0.913 628 V CB 1.176 32.938 31.823 -0.101 0.000 0.983 628 V HN 0.455 nan 8.190 nan 0.000 0.460 629 H N 1.781 120.864 119.070 0.021 0.000 2.499 629 H HA 0.781 5.360 4.556 0.038 0.000 0.352 629 H C 0.170 175.519 175.328 0.035 0.000 1.237 629 H CA 0.034 56.097 56.048 0.026 0.000 1.343 629 H CB 1.269 31.048 29.762 0.029 0.000 1.578 629 H HN 0.833 nan 8.280 nan 0.000 0.577 630 A N 0.983 123.914 122.820 0.184 0.000 2.435 630 A HA 0.527 4.870 4.320 0.038 0.000 0.304 630 A C -1.160 176.481 177.584 0.096 0.000 1.064 630 A CA -1.024 51.082 52.037 0.114 0.000 0.727 630 A CB 1.156 20.204 19.000 0.080 0.000 1.284 630 A HN 0.777 nan 8.150 nan 0.000 0.415 631 K N 2.417 122.868 120.400 0.085 0.000 2.376 631 K HA 0.693 5.036 4.320 0.038 0.000 0.257 631 K C -1.524 175.105 176.600 0.049 0.000 0.939 631 K CA -0.518 55.809 56.287 0.068 0.000 0.809 631 K CB 1.469 34.018 32.500 0.081 0.000 1.121 631 K HN 0.516 nan 8.250 nan 0.000 0.425 632 L N 4.194 125.437 121.223 0.033 0.000 2.281 632 L HA 0.338 4.701 4.340 0.038 0.000 0.285 632 L C -0.705 176.171 176.870 0.011 0.000 1.074 632 L CA -1.081 53.771 54.840 0.020 0.000 0.817 632 L CB 0.534 42.596 42.059 0.005 0.000 1.168 632 L HN 0.504 nan 8.230 nan 0.000 0.434 633 L N 4.239 125.472 121.223 0.017 0.000 2.354 633 L HA 0.617 4.980 4.340 0.038 0.000 0.269 633 L C -0.572 176.225 176.870 -0.123 0.000 1.005 633 L CA -0.383 54.430 54.840 -0.045 0.000 0.819 633 L CB 1.746 43.810 42.059 0.009 0.000 1.311 633 L HN 0.370 nan 8.230 nan 0.000 0.423 634 Y N -0.595 119.298 120.300 -0.679 0.000 2.900 634 Y HA 0.308 4.881 4.550 0.038 0.000 0.318 634 Y C 0.828 176.004 175.900 -1.206 0.000 1.457 634 Y CA -0.391 57.192 58.100 -0.862 0.000 1.082 634 Y CB 1.315 39.586 38.460 -0.314 0.000 1.419 634 Y HN 0.536 nan 8.280 nan 0.000 0.459 635 S N 0.639 115.458 115.700 -1.467 0.000 2.558 635 S HA 0.254 4.747 4.470 0.038 0.000 0.217 635 S C 0.055 174.381 174.600 -0.456 0.000 0.975 635 S CA 0.325 58.012 58.200 -0.855 0.000 0.912 635 S CB -0.162 62.663 63.200 -0.626 0.000 0.776 635 S HN 0.600 nan 8.310 nan 0.000 0.526 636 R N -1.086 119.213 120.500 -0.335 0.000 2.766 636 R HA 0.629 4.992 4.340 0.038 0.000 0.270 636 R C -0.838 175.445 176.300 -0.028 0.000 1.035 636 R CA -1.106 54.925 56.100 -0.114 0.000 0.911 636 R CB 0.508 30.784 30.300 -0.040 0.000 1.243 636 R HN -0.092 nan 8.270 nan 0.000 0.460 637 M N -0.015 119.577 119.600 -0.013 0.000 2.154 637 M HA 0.530 5.033 4.480 0.038 0.000 0.251 637 M C 0.945 177.259 176.300 0.024 0.000 1.200 637 M CA 0.786 56.088 55.300 0.003 0.000 0.967 637 M CB 0.567 33.162 32.600 -0.008 0.000 1.362 637 M HN 1.062 nan 8.290 nan 0.000 0.522 638 G N 0.769 109.576 108.800 0.011 0.000 2.715 638 G HA2 -0.105 3.878 3.960 0.038 0.000 0.221 638 G HA3 -0.105 3.878 3.960 0.038 0.000 0.221 638 G C -0.951 173.943 174.900 -0.009 0.000 1.204 638 G CA 0.003 45.106 45.100 0.006 0.000 1.063 638 G HN 0.912 nan 8.290 nan 0.000 0.586 639 E N -0.951 119.236 120.200 -0.021 0.000 2.408 639 E HA 0.686 5.059 4.350 0.038 0.000 0.275 639 E C -0.342 176.196 176.600 -0.103 0.000 0.935 639 E CA -0.659 55.707 56.400 -0.056 0.000 0.775 639 E CB 2.582 32.256 29.700 -0.043 0.000 1.277 639 E HN 1.549 nan 8.360 nan 0.000 0.455 640 V N -1.659 118.153 119.914 -0.169 0.000 3.166 640 V HA 0.771 4.914 4.120 0.038 0.000 0.317 640 V C -0.418 175.595 176.094 -0.135 0.000 1.136 640 V CA -0.655 61.517 62.300 -0.213 0.000 1.035 640 V CB 1.721 33.291 31.823 -0.423 0.000 1.110 640 V HN 0.770 nan 8.190 nan 0.000 0.450 641 T N 1.634 116.119 114.554 -0.115 0.000 2.812 641 T HA 0.787 5.160 4.350 0.038 0.000 0.282 641 T C 0.147 174.805 174.700 -0.071 0.000 0.990 641 T CA 0.239 62.294 62.100 -0.076 0.000 0.960 641 T CB 1.332 70.169 68.868 -0.052 0.000 0.948 641 T HN 1.320 nan 8.240 nan 0.000 0.438 642 A N 2.149 124.934 122.820 -0.059 0.000 2.292 642 A HA 0.385 4.728 4.320 0.038 0.000 0.265 642 A C 1.464 179.026 177.584 -0.037 0.000 1.133 642 A CA -0.263 51.744 52.037 -0.049 0.000 0.807 642 A CB 0.054 19.029 19.000 -0.041 0.000 1.102 642 A HN 0.893 nan 8.150 nan 0.000 0.502 643 D N -0.449 119.932 120.400 -0.032 0.000 2.219 643 D HA -0.147 4.516 4.640 0.038 0.000 0.205 643 D C 0.476 176.762 176.300 -0.022 0.000 0.970 643 D CA 1.397 55.382 54.000 -0.025 0.000 0.851 643 D CB -0.296 40.489 40.800 -0.024 0.000 0.943 643 D HN 0.576 nan 8.370 nan 0.000 0.488 644 D N -1.339 119.047 120.400 -0.023 0.000 2.388 644 D HA 0.231 4.894 4.640 0.038 0.000 0.221 644 D C 1.570 177.858 176.300 -0.020 0.000 1.133 644 D CA 0.135 54.123 54.000 -0.020 0.000 0.831 644 D CB -0.087 40.702 40.800 -0.019 0.000 0.962 644 D HN 0.303 nan 8.370 nan 0.000 0.502 645 G N 0.017 108.803 108.800 -0.022 0.000 2.179 645 G HA2 -0.282 3.701 3.960 0.038 0.000 0.260 645 G HA3 -0.282 3.701 3.960 0.038 0.000 0.260 645 G C 0.400 175.285 174.900 -0.024 0.000 0.977 645 G CA 0.341 45.428 45.100 -0.022 0.000 0.641 645 G HN 0.442 nan 8.290 nan 0.000 0.533 646 T N 1.318 115.857 114.554 -0.026 0.000 2.853 646 T HA 0.419 4.792 4.350 0.038 0.000 0.298 646 T C 0.694 175.374 174.700 -0.033 0.000 0.978 646 T CA 0.018 62.103 62.100 -0.026 0.000 1.152 646 T CB 2.123 70.977 68.868 -0.024 0.000 0.914 646 T HN 0.420 nan 8.240 nan 0.000 0.539 647 V N 5.678 125.574 119.914 -0.030 0.000 2.498 647 V HA 0.327 4.470 4.120 0.038 0.000 0.279 647 V C 0.204 176.275 176.094 -0.038 0.000 1.048 647 V CA -0.515 61.764 62.300 -0.037 0.000 0.967 647 V CB 0.774 32.579 31.823 -0.029 0.000 0.988 647 V HN 0.687 nan 8.190 nan 0.000 0.473 648 L N 7.698 128.889 121.223 -0.053 0.000 2.342 648 L HA 0.464 4.827 4.340 0.038 0.000 0.276 648 L C -2.449 174.388 176.870 -0.055 0.000 0.997 648 L CA -1.758 53.050 54.840 -0.053 0.000 0.838 648 L CB 2.157 44.173 42.059 -0.071 0.000 1.224 648 L HN 0.420 nan 8.230 nan 0.000 0.416 649 P HA 0.241 nan 4.420 nan 0.000 0.275 649 P C -0.535 176.749 177.300 -0.026 0.000 1.227 649 P CA -0.071 63.013 63.100 -0.027 0.000 0.781 649 P CB 1.330 33.021 31.700 -0.014 0.000 0.906 650 I N 2.063 122.619 120.570 -0.023 0.000 2.353 650 I HA 0.236 4.429 4.170 0.038 0.000 0.293 650 I C 1.515 177.627 176.117 -0.008 0.000 0.992 650 I CA -0.367 60.923 61.300 -0.016 0.000 1.268 650 I CB 1.486 39.483 38.000 -0.004 0.000 1.387 650 I HN 0.353 nan 8.210 nan 0.000 0.478 651 A N 5.142 127.960 122.820 -0.004 0.000 1.903 651 A HA 0.622 4.965 4.320 0.038 0.000 0.213 651 A C 0.967 178.552 177.584 0.003 0.000 1.185 651 A CA 1.144 53.184 52.037 0.005 0.000 0.628 651 A CB 0.052 19.064 19.000 0.019 0.000 0.830 651 A HN 0.780 nan 8.150 nan 0.000 0.446 652 A N -1.817 120.998 122.820 -0.009 0.000 2.599 652 A HA 0.592 4.935 4.320 0.038 0.000 0.290 652 A C 0.015 177.552 177.584 -0.078 0.000 1.101 652 A CA 0.111 52.139 52.037 -0.015 0.000 0.674 652 A CB -0.115 18.902 19.000 0.028 0.000 1.277 652 A HN 0.731 nan 8.150 nan 0.000 0.419 653 T N -1.634 112.868 114.554 -0.087 0.000 2.816 653 T HA 0.518 4.891 4.350 0.038 0.000 0.282 653 T C 0.946 175.595 174.700 -0.085 0.000 0.993 653 T CA 0.087 62.064 62.100 -0.205 0.000 0.994 653 T CB 0.012 68.797 68.868 -0.140 0.000 1.025 653 T HN 0.449 nan 8.240 nan 0.000 0.529 654 F N 0.469 120.438 119.950 0.032 0.000 2.120 654 F HA -0.033 4.517 4.527 0.038 0.000 0.300 654 F C 2.912 178.847 175.800 0.225 0.000 1.095 654 F CA 0.987 59.062 58.000 0.125 0.000 1.249 654 F CB -0.563 38.487 39.000 0.084 0.000 0.995 654 F HN 0.698 nan 8.300 nan 0.000 0.480 655 A N 0.049 123.038 122.820 0.283 0.000 2.021 655 A HA 0.125 4.468 4.320 0.038 0.000 0.216 655 A C 2.377 180.030 177.584 0.115 0.000 1.163 655 A CA 1.188 53.330 52.037 0.175 0.000 0.676 655 A CB -1.215 17.846 19.000 0.102 0.000 0.818 655 A HN 0.376 nan 8.150 nan 0.000 0.453 656 G N -0.796 108.061 108.800 0.094 0.000 2.464 656 G HA2 0.303 4.286 3.960 0.038 0.000 0.217 656 G HA3 0.303 4.286 3.960 0.038 0.000 0.217 656 G C 0.675 175.626 174.900 0.085 0.000 1.138 656 G CA 0.890 46.027 45.100 0.062 0.000 0.793 656 G HN 0.961 nan 8.290 nan 0.000 0.539 657 A N 0.960 123.868 122.820 0.146 0.000 3.105 657 A HA 0.705 5.048 4.320 0.038 0.000 0.336 657 A C -2.642 175.102 177.584 0.266 0.000 1.042 657 A CA -1.197 50.943 52.037 0.171 0.000 0.851 657 A CB 1.099 20.197 19.000 0.163 0.000 1.068 657 A HN 0.104 nan 8.150 nan 0.000 0.477 658 P HA 0.036 nan 4.420 nan 0.000 0.271 658 P C 1.337 178.461 177.300 -0.294 0.000 1.233 658 P CA 0.312 63.347 63.100 -0.108 0.000 0.789 658 P CB 0.735 32.366 31.700 -0.116 0.000 0.951 659 S N 0.855 116.021 115.700 -0.889 0.000 2.442 659 S HA -0.150 4.343 4.470 0.038 0.000 0.236 659 S C 1.803 176.263 174.600 -0.233 0.000 1.007 659 S CA 0.955 58.808 58.200 -0.578 0.000 0.965 659 S CB -1.350 61.427 63.200 -0.705 0.000 0.773 659 S HN 0.335 nan 8.310 nan 0.000 0.504 660 L N 1.778 122.863 121.223 -0.231 0.000 2.089 660 L HA -0.141 4.222 4.340 0.038 0.000 0.213 660 L C 2.913 179.613 176.870 -0.283 0.000 1.079 660 L CA 1.811 56.511 54.840 -0.233 0.000 0.758 660 L CB -1.457 40.438 42.059 -0.272 0.000 0.891 660 L HN 0.662 nan 8.230 nan 0.000 0.433 661 T N -3.426 111.030 114.554 -0.164 0.000 3.107 661 T HA 0.251 4.624 4.350 0.038 0.000 0.249 661 T C 0.277 175.068 174.700 0.152 0.000 1.096 661 T CA 0.130 62.212 62.100 -0.030 0.000 1.012 661 T CB -0.343 68.592 68.868 0.111 0.000 0.977 661 T HN 0.164 nan 8.240 nan 0.000 0.527 662 V N -2.867 117.099 119.914 0.086 0.000 3.126 662 V HA 0.584 4.727 4.120 0.038 0.000 0.314 662 V C -0.269 175.872 176.094 0.079 0.000 1.138 662 V CA -0.964 61.412 62.300 0.127 0.000 1.034 662 V CB 2.216 34.130 31.823 0.152 0.000 1.075 662 V HN -0.012 nan 8.190 nan 0.000 0.442 663 D N 1.041 121.489 120.400 0.081 0.000 2.366 663 D HA 0.505 5.168 4.640 0.038 0.000 0.205 663 D C 0.534 176.822 176.300 -0.019 0.000 1.022 663 D CA 1.448 55.471 54.000 0.039 0.000 0.868 663 D CB 1.518 42.363 40.800 0.074 0.000 0.953 663 D HN 1.018 nan 8.370 nan 0.000 0.514 664 A N 0.145 122.970 122.820 0.008 0.000 2.597 664 A HA 0.512 4.855 4.320 0.038 0.000 0.292 664 A C -1.571 176.031 177.584 0.030 0.000 1.057 664 A CA -0.554 51.475 52.037 -0.014 0.000 0.674 664 A CB 1.477 20.457 19.000 -0.033 0.000 1.278 664 A HN -0.109 nan 8.150 nan 0.000 0.416 665 V N 1.702 121.627 119.914 0.018 0.000 2.531 665 V HA 0.553 4.696 4.120 0.038 0.000 0.301 665 V C -0.613 175.489 176.094 0.014 0.000 1.034 665 V CA -0.209 62.114 62.300 0.039 0.000 0.865 665 V CB 1.488 33.350 31.823 0.065 0.000 0.995 665 V HN 0.701 nan 8.190 nan 0.000 0.424 666 I N 4.499 125.086 120.570 0.028 0.000 2.433 666 I HA 0.576 4.769 4.170 0.038 0.000 0.292 666 I C -0.802 175.346 176.117 0.053 0.000 1.001 666 I CA -0.947 60.396 61.300 0.073 0.000 1.119 666 I CB 2.218 40.288 38.000 0.116 0.000 1.289 666 I HN 0.281 nan 8.210 nan 0.000 0.438 667 V N 7.394 127.359 119.914 0.085 0.000 2.376 667 V HA 0.384 4.527 4.120 0.038 0.000 0.287 667 V C -2.211 173.941 176.094 0.097 0.000 1.015 667 V CA -1.578 60.761 62.300 0.065 0.000 0.834 667 V CB 1.353 33.203 31.823 0.045 0.000 1.001 667 V HN 0.561 nan 8.190 nan 0.000 0.428 668 P HA 0.448 nan 4.420 nan 0.000 0.278 668 P C -0.228 177.085 177.300 0.022 0.000 1.258 668 P CA -0.281 62.829 63.100 0.018 0.000 0.811 668 P CB 1.212 32.915 31.700 0.005 0.000 1.063 669 A N 0.367 123.175 122.820 -0.021 0.000 2.310 669 A HA 0.645 4.988 4.320 0.038 0.000 0.260 669 A C 0.817 178.399 177.584 -0.002 0.000 1.112 669 A CA 0.766 52.796 52.037 -0.012 0.000 0.804 669 A CB -0.919 18.055 19.000 -0.044 0.000 1.081 669 A HN 0.861 nan 8.150 nan 0.000 0.499 670 G N -0.452 108.348 108.800 -0.001 0.000 2.240 670 G HA2 0.048 4.031 3.960 0.038 0.000 0.199 670 G HA3 0.048 4.031 3.960 0.038 0.000 0.199 670 G C -0.491 174.415 174.900 0.009 0.000 1.342 670 G CA -0.061 45.040 45.100 0.000 0.000 1.145 670 G HN 1.078 nan 8.290 nan 0.000 0.477 671 N N 1.954 120.665 118.700 0.019 0.000 2.744 671 N HA 0.191 4.954 4.740 0.038 0.000 0.290 671 N C 1.730 177.270 175.510 0.051 0.000 1.206 671 N CA -0.268 52.798 53.050 0.027 0.000 1.119 671 N CB -0.298 38.208 38.487 0.031 0.000 1.449 671 N HN 0.406 nan 8.380 nan 0.000 0.514 672 I N 0.804 121.391 120.570 0.028 0.000 2.676 672 I HA -0.145 4.048 4.170 0.038 0.000 0.259 672 I C 2.008 178.130 176.117 0.008 0.000 1.194 672 I CA 0.482 61.801 61.300 0.031 0.000 1.473 672 I CB -1.376 36.603 38.000 -0.034 0.000 1.096 672 I HN 0.436 nan 8.210 nan 0.000 0.443 673 A N 0.964 123.781 122.820 -0.004 0.000 2.032 673 A HA -0.291 4.052 4.320 0.038 0.000 0.221 673 A C 2.070 179.679 177.584 0.043 0.000 1.165 673 A CA 2.200 54.236 52.037 -0.003 0.000 0.645 673 A CB -0.720 18.278 19.000 -0.003 0.000 0.807 673 A HN 0.416 nan 8.150 nan 0.000 0.453 674 D N -0.056 120.395 120.400 0.085 0.000 2.178 674 D HA -0.116 4.547 4.640 0.038 0.000 0.201 674 D C 1.527 177.920 176.300 0.156 0.000 0.980 674 D CA 1.680 55.759 54.000 0.131 0.000 0.842 674 D CB -0.145 40.768 40.800 0.189 0.000 0.948 674 D HN 0.660 nan 8.370 nan 0.000 0.472 675 I N -4.385 116.293 120.570 0.181 0.000 4.456 675 I HA 0.470 4.663 4.170 0.038 0.000 0.329 675 I C 1.935 178.194 176.117 0.237 0.000 1.313 675 I CA -0.062 61.373 61.300 0.224 0.000 1.205 675 I CB -0.046 38.136 38.000 0.304 0.000 1.179 675 I HN -0.118 nan 8.210 nan 0.000 0.419 676 A N 1.476 124.381 122.820 0.142 0.000 2.042 676 A HA -0.209 4.134 4.320 0.038 0.000 0.222 676 A C 1.392 179.003 177.584 0.045 0.000 1.167 676 A CA 2.339 54.362 52.037 -0.024 0.000 0.649 676 A CB -0.538 18.362 19.000 -0.166 0.000 0.809 676 A HN 0.556 nan 8.150 nan 0.000 0.457 677 D N -1.227 119.211 120.400 0.063 0.000 2.535 677 D HA 0.067 4.730 4.640 0.038 0.000 0.229 677 D C -0.252 176.086 176.300 0.063 0.000 1.238 677 D CA -0.248 53.782 54.000 0.050 0.000 0.824 677 D CB -0.187 40.626 40.800 0.021 0.000 1.045 677 D HN 0.300 nan 8.370 nan 0.000 0.500 678 N N 1.062 119.815 118.700 0.088 0.000 2.401 678 N HA 0.051 4.814 4.740 0.038 0.000 0.255 678 N C 1.433 176.976 175.510 0.055 0.000 1.110 678 N CA 0.049 53.143 53.050 0.074 0.000 0.949 678 N CB 1.339 39.885 38.487 0.098 0.000 1.110 678 N HN 0.051 nan 8.380 nan 0.000 0.490 679 G N 3.560 112.391 108.800 0.052 0.000 2.513 679 G HA2 -0.307 3.676 3.960 0.038 0.000 0.219 679 G HA3 -0.307 3.676 3.960 0.038 0.000 0.219 679 G C 1.002 175.941 174.900 0.066 0.000 1.160 679 G CA 0.727 45.857 45.100 0.051 0.000 0.767 679 G HN 0.580 nan 8.290 nan 0.000 0.571 680 D N 0.823 121.267 120.400 0.073 0.000 2.123 680 D HA -0.049 4.614 4.640 0.038 0.000 0.196 680 D C 2.805 179.082 176.300 -0.038 0.000 0.992 680 D CA 1.392 55.461 54.000 0.115 0.000 0.833 680 D CB -0.506 40.431 40.800 0.228 0.000 0.954 680 D HN 0.333 nan 8.370 nan 0.000 0.455 681 A N 0.771 123.419 122.820 -0.287 0.000 1.898 681 A HA -0.160 4.183 4.320 0.038 0.000 0.216 681 A C 2.015 179.353 177.584 -0.410 0.000 1.181 681 A CA 1.152 52.766 52.037 -0.705 0.000 0.620 681 A CB -0.415 18.154 19.000 -0.718 0.000 0.819 681 A HN 0.148 nan 8.150 nan 0.000 0.442 682 N N -1.393 117.215 118.700 -0.153 0.000 2.084 682 N HA -0.190 4.573 4.740 0.038 0.000 0.190 682 N C 1.694 177.172 175.510 -0.053 0.000 1.030 682 N CA 1.800 54.814 53.050 -0.060 0.000 0.849 682 N CB -0.461 38.077 38.487 0.084 0.000 1.012 682 N HN 0.689 nan 8.380 nan 0.000 0.423 683 Y N 0.579 120.827 120.300 -0.087 0.000 2.224 683 Y HA -0.277 4.296 4.550 0.038 0.000 0.289 683 Y C 2.417 178.258 175.900 -0.098 0.000 1.146 683 Y CA 1.263 59.315 58.100 -0.080 0.000 1.182 683 Y CB -0.375 38.048 38.460 -0.063 0.000 0.983 683 Y HN 0.013 nan 8.280 nan 0.000 0.524 684 Y N 0.505 120.666 120.300 -0.232 0.000 2.069 684 Y HA -0.367 4.206 4.550 0.039 0.000 0.278 684 Y C 2.154 177.846 175.900 -0.346 0.000 1.175 684 Y CA 2.323 60.255 58.100 -0.281 0.000 1.134 684 Y CB -0.628 37.660 38.460 -0.288 0.000 0.965 684 Y HN 0.124 nan 8.280 nan 0.000 0.498 685 L N -1.072 120.079 121.223 -0.121 0.000 2.093 685 L HA -0.271 4.092 4.340 0.038 0.000 0.208 685 L C 2.461 179.211 176.870 -0.201 0.000 1.085 685 L CA 1.412 56.157 54.840 -0.158 0.000 0.755 685 L CB -0.554 41.360 42.059 -0.241 0.000 0.904 685 L HN 0.310 nan 8.230 nan 0.000 0.435 686 M N -0.545 118.879 119.600 -0.293 0.000 2.080 686 M HA -0.251 4.252 4.480 0.038 0.000 0.260 686 M C 2.272 178.310 176.300 -0.438 0.000 1.068 686 M CA 1.838 56.951 55.300 -0.313 0.000 1.109 686 M CB -0.527 31.879 32.600 -0.324 0.000 1.342 686 M HN 0.243 nan 8.290 nan 0.000 0.405 687 E N 0.649 120.387 120.200 -0.770 0.000 2.051 687 E HA -0.183 4.190 4.350 0.038 0.000 0.192 687 E C 2.021 178.243 176.600 -0.630 0.000 0.991 687 E CA 1.322 57.231 56.400 -0.817 0.000 0.799 687 E CB 0.011 29.180 29.700 -0.885 0.000 0.748 687 E HN 0.472 nan 8.360 nan 0.000 0.449 688 A N 0.208 122.785 122.820 -0.407 0.000 1.933 688 A HA -0.200 4.143 4.320 0.038 0.000 0.218 688 A C 2.005 179.479 177.584 -0.184 0.000 1.175 688 A CA 1.411 53.306 52.037 -0.238 0.000 0.628 688 A CB -0.842 18.085 19.000 -0.122 0.000 0.814 688 A HN 0.550 nan 8.150 nan 0.000 0.444 689 Y N 0.491 120.628 120.300 -0.271 0.000 2.089 689 Y HA -0.205 4.368 4.550 0.039 0.000 0.282 689 Y C 2.425 178.199 175.900 -0.211 0.000 1.139 689 Y CA 2.369 60.342 58.100 -0.211 0.000 1.123 689 Y CB -0.305 38.047 38.460 -0.181 0.000 0.980 689 Y HN 0.292 nan 8.280 nan 0.000 0.493 690 K N -0.469 119.816 120.400 -0.191 0.000 2.074 690 K HA -0.260 4.083 4.320 0.038 0.000 0.209 690 K C 1.185 177.669 176.600 -0.194 0.000 1.048 690 K CA 2.210 58.358 56.287 -0.232 0.000 0.926 690 K CB -0.515 31.810 32.500 -0.291 0.000 0.713 690 K HN 0.613 nan 8.250 nan 0.000 0.444 691 H N 0.357 119.305 119.070 -0.204 0.000 2.566 691 H HA 0.159 4.738 4.556 0.039 0.000 0.280 691 H C 0.122 175.288 175.328 -0.270 0.000 1.042 691 H CA 0.238 56.162 56.048 -0.207 0.000 1.168 691 H CB 0.033 29.673 29.762 -0.204 0.000 1.340 691 H HN 0.154 nan 8.280 nan 0.000 0.597 692 L N -0.412 120.661 121.223 -0.250 0.000 4.351 692 L HA -0.272 4.091 4.340 0.038 0.000 0.410 692 L C -0.256 176.357 176.870 -0.429 0.000 1.150 692 L CA 0.568 55.174 54.840 -0.389 0.000 0.961 692 L CB -1.663 40.153 42.059 -0.405 0.000 2.130 692 L HN 0.321 nan 8.230 nan 0.000 0.787 693 K N 1.152 121.364 120.400 -0.314 0.000 2.174 693 K HA 0.422 4.765 4.320 0.038 0.000 0.275 693 K C -2.099 174.364 176.600 -0.229 0.000 1.015 693 K CA -1.762 54.360 56.287 -0.274 0.000 0.933 693 K CB 0.574 32.968 32.500 -0.178 0.000 1.025 693 K HN -0.203 nan 8.250 nan 0.000 0.463 694 P HA 0.007 nan 4.420 nan 0.000 0.264 694 P C -0.768 176.468 177.300 -0.107 0.000 1.193 694 P CA 0.478 63.478 63.100 -0.166 0.000 0.763 694 P CB 0.331 31.932 31.700 -0.165 0.000 0.810 695 I N 2.133 122.655 120.570 -0.080 0.000 2.474 695 I HA 0.623 4.816 4.170 0.038 0.000 0.294 695 I C -0.041 176.037 176.117 -0.065 0.000 1.005 695 I CA -0.825 60.450 61.300 -0.042 0.000 1.113 695 I CB 2.094 40.097 38.000 0.005 0.000 1.289 695 I HN 0.262 nan 8.210 nan 0.000 0.436 696 A N 7.584 130.377 122.820 -0.045 0.000 2.343 696 A HA 0.912 5.255 4.320 0.038 0.000 0.316 696 A C -1.081 176.622 177.584 0.199 0.000 1.104 696 A CA -0.448 51.551 52.037 -0.063 0.000 0.768 696 A CB 0.989 19.809 19.000 -0.300 0.000 1.213 696 A HN 0.666 nan 8.150 nan 0.000 0.456 697 L N 1.963 123.374 121.223 0.313 0.000 2.406 697 L HA 0.744 5.107 4.340 0.038 0.000 0.272 697 L C 0.150 177.215 176.870 0.325 0.000 0.980 697 L CA -0.557 54.457 54.840 0.289 0.000 0.831 697 L CB 2.057 44.227 42.059 0.185 0.000 1.253 697 L HN 0.788 nan 8.230 nan 0.000 0.406 698 A N 1.960 124.858 122.820 0.130 0.000 2.337 698 A HA 0.864 5.207 4.320 0.038 0.000 0.329 698 A C 0.713 178.272 177.584 -0.042 0.000 1.146 698 A CA 0.228 52.208 52.037 -0.095 0.000 0.800 698 A CB 1.258 20.023 19.000 -0.392 0.000 1.220 698 A HN 0.979 nan 8.150 nan 0.000 0.472 699 G N 1.642 110.408 108.800 -0.057 0.000 2.698 699 G HA2 -0.396 3.587 3.960 0.038 0.000 0.337 699 G HA3 -0.396 3.587 3.960 0.038 0.000 0.337 699 G C 0.649 175.541 174.900 -0.013 0.000 1.286 699 G CA 1.212 46.292 45.100 -0.034 0.000 1.000 699 G HN 0.745 nan 8.290 nan 0.000 0.547 700 D N 1.288 121.675 120.400 -0.020 0.000 2.351 700 D HA 0.179 4.842 4.640 0.038 0.000 0.216 700 D C 2.605 178.888 176.300 -0.029 0.000 0.968 700 D CA 1.523 55.503 54.000 -0.033 0.000 0.899 700 D CB -0.671 40.106 40.800 -0.039 0.000 0.907 700 D HN 0.726 nan 8.370 nan 0.000 0.514 701 A N 0.292 123.136 122.820 0.040 0.000 2.125 701 A HA -0.160 4.183 4.320 0.038 0.000 0.219 701 A C 2.039 179.708 177.584 0.142 0.000 1.156 701 A CA 0.814 52.942 52.037 0.153 0.000 0.671 701 A CB -0.319 18.804 19.000 0.205 0.000 0.794 701 A HN 0.155 nan 8.150 nan 0.000 0.459 702 R N -0.798 119.739 120.500 0.061 0.000 2.280 702 R HA -0.049 4.314 4.340 0.038 0.000 0.207 702 R C 1.615 177.910 176.300 -0.008 0.000 1.043 702 R CA 0.972 57.102 56.100 0.050 0.000 1.006 702 R CB -0.120 30.202 30.300 0.036 0.000 0.885 702 R HN 0.262 nan 8.270 nan 0.000 0.467 703 K N 0.177 120.521 120.400 -0.093 0.000 2.218 703 K HA -0.137 4.206 4.320 0.038 0.000 0.205 703 K C 1.222 177.682 176.600 -0.232 0.000 1.046 703 K CA 1.460 57.628 56.287 -0.199 0.000 0.933 703 K CB -0.247 32.063 32.500 -0.316 0.000 0.728 703 K HN 0.168 nan 8.250 nan 0.000 0.454 704 F N 0.685 120.612 119.950 -0.040 0.000 2.502 704 F HA -0.094 4.456 4.527 0.039 0.000 0.298 704 F C 1.729 177.481 175.800 -0.081 0.000 1.111 704 F CA 0.642 58.607 58.000 -0.059 0.000 1.445 704 F CB -0.015 38.950 39.000 -0.058 0.000 1.081 704 F HN -0.049 nan 8.300 nan 0.000 0.558 705 K N 0.285 120.732 120.400 0.078 0.000 2.228 705 K HA -0.240 4.103 4.320 0.038 0.000 0.205 705 K C 2.191 178.765 176.600 -0.044 0.000 1.045 705 K CA 1.165 57.448 56.287 -0.005 0.000 0.931 705 K CB -0.323 32.170 32.500 -0.011 0.000 0.727 705 K HN 0.290 nan 8.250 nan 0.000 0.458 706 A N 0.413 123.215 122.820 -0.029 0.000 1.968 706 A HA -0.086 4.257 4.320 0.038 0.000 0.217 706 A C 2.057 179.616 177.584 -0.042 0.000 1.169 706 A CA 1.553 53.564 52.037 -0.042 0.000 0.638 706 A CB -0.488 18.484 19.000 -0.046 0.000 0.812 706 A HN 0.236 nan 8.150 nan 0.000 0.446 707 T N 0.769 115.317 114.554 -0.010 0.000 2.867 707 T HA -0.039 4.334 4.350 0.038 0.000 0.268 707 T C 1.435 176.070 174.700 -0.107 0.000 1.057 707 T CA 1.437 63.528 62.100 -0.015 0.000 1.136 707 T CB -0.446 68.459 68.868 0.062 0.000 0.874 707 T HN 0.722 nan 8.240 nan 0.000 0.466 708 I N -2.369 118.084 120.570 -0.196 0.000 3.914 708 I HA 0.402 4.595 4.170 0.038 0.000 0.333 708 I C -0.363 175.498 176.117 -0.426 0.000 1.449 708 I CA -0.551 60.487 61.300 -0.436 0.000 1.135 708 I CB 0.001 37.551 38.000 -0.751 0.000 1.073 708 I HN -0.180 nan 8.210 nan 0.000 0.401 709 K N 1.963 122.235 120.400 -0.213 0.000 3.148 709 K HA -0.115 4.228 4.320 0.038 0.000 0.267 709 K C -0.260 176.266 176.600 -0.123 0.000 0.996 709 K CA 0.534 56.739 56.287 -0.136 0.000 0.737 709 K CB -1.591 30.851 32.500 -0.096 0.000 1.308 709 K HN 0.469 nan 8.250 nan 0.000 0.470 710 I N 0.582 121.078 120.570 -0.123 0.000 2.342 710 I HA 0.220 4.413 4.170 0.038 0.000 0.291 710 I C 1.374 177.471 176.117 -0.034 0.000 1.010 710 I CA -0.814 60.444 61.300 -0.071 0.000 1.308 710 I CB 0.903 38.863 38.000 -0.066 0.000 1.400 710 I HN 0.204 nan 8.210 nan 0.000 0.488 711 A N 5.117 127.928 122.820 -0.015 0.000 2.466 711 A HA 0.048 4.391 4.320 0.038 0.000 0.238 711 A C 1.161 178.741 177.584 -0.007 0.000 1.074 711 A CA -0.167 51.864 52.037 -0.009 0.000 0.774 711 A CB 0.101 19.101 19.000 -0.000 0.000 1.015 711 A HN 0.765 nan 8.150 nan 0.000 0.498 712 D N 0.699 121.095 120.400 -0.007 0.000 2.149 712 D HA -0.226 4.437 4.640 0.038 0.000 0.194 712 D C 1.976 178.276 176.300 0.001 0.000 1.001 712 D CA 2.317 56.314 54.000 -0.004 0.000 0.849 712 D CB -0.225 40.572 40.800 -0.005 0.000 0.939 712 D HN 0.832 nan 8.370 nan 0.000 0.449 713 Q N 0.133 119.935 119.800 0.002 0.000 2.500 713 Q HA 0.218 4.581 4.340 0.038 0.000 0.213 713 Q C 1.170 177.174 176.000 0.007 0.000 0.974 713 Q CA 0.755 56.561 55.803 0.005 0.000 0.918 713 Q CB -0.070 28.671 28.738 0.005 0.000 0.980 713 Q HN 0.186 nan 8.270 nan 0.000 0.505 714 G N 0.757 109.562 108.800 0.007 0.000 2.698 714 G HA2 -0.240 3.743 3.960 0.038 0.000 0.225 714 G HA3 -0.240 3.743 3.960 0.038 0.000 0.225 714 G C -1.178 173.730 174.900 0.012 0.000 1.345 714 G CA -0.254 44.852 45.100 0.010 0.000 0.871 714 G HN 0.407 nan 8.290 nan 0.000 0.540 715 E N -0.678 119.530 120.200 0.013 0.000 2.381 715 E HA 0.372 4.745 4.350 0.038 0.000 0.286 715 E C -0.645 175.956 176.600 0.002 0.000 0.960 715 E CA -0.743 55.668 56.400 0.018 0.000 0.793 715 E CB 0.966 30.695 29.700 0.047 0.000 1.225 715 E HN 0.460 nan 8.360 nan 0.000 0.420 716 E N 1.792 121.986 120.200 -0.011 0.000 2.493 716 E HA 0.151 4.524 4.350 0.038 0.000 0.255 716 E C 0.795 177.359 176.600 -0.059 0.000 0.999 716 E CA 1.725 58.103 56.400 -0.036 0.000 0.934 716 E CB 0.990 30.668 29.700 -0.037 0.000 0.940 716 E HN 0.886 nan 8.360 nan 0.000 0.473 717 G N 3.188 111.939 108.800 -0.082 0.000 2.194 717 G HA2 -0.209 3.774 3.960 0.038 0.000 0.236 717 G HA3 -0.209 3.774 3.960 0.038 0.000 0.236 717 G C 0.186 175.040 174.900 -0.077 0.000 0.987 717 G CA -0.298 44.734 45.100 -0.113 0.000 0.635 717 G HN 0.422 nan 8.290 nan 0.000 0.520 718 I N 2.048 122.596 120.570 -0.036 0.000 2.355 718 I HA 0.488 4.681 4.170 0.038 0.000 0.288 718 I C 0.467 176.551 176.117 -0.056 0.000 0.999 718 I CA -1.136 60.151 61.300 -0.021 0.000 1.163 718 I CB 1.240 39.257 38.000 0.028 0.000 1.316 718 I HN -0.109 nan 8.210 nan 0.000 0.454 719 V N 7.368 127.213 119.914 -0.115 0.000 2.465 719 V HA 0.424 4.567 4.120 0.038 0.000 0.279 719 V C 0.170 176.230 176.094 -0.057 0.000 1.045 719 V CA -0.441 61.746 62.300 -0.189 0.000 0.938 719 V CB 1.362 32.908 31.823 -0.461 0.000 0.986 719 V HN 0.874 nan 8.190 nan 0.000 0.467 720 E N 4.019 124.262 120.200 0.072 0.000 2.335 720 E HA 0.848 5.221 4.350 0.038 0.000 0.280 720 E C -1.068 175.687 176.600 0.258 0.000 0.918 720 E CA -0.941 55.595 56.400 0.226 0.000 0.765 720 E CB 2.439 32.212 29.700 0.120 0.000 1.218 720 E HN 0.793 nan 8.360 nan 0.000 0.425 721 A N 2.047 125.040 122.820 0.288 0.000 2.586 721 A HA 0.400 4.743 4.320 0.038 0.000 0.290 721 A C -0.433 177.166 177.584 0.025 0.000 1.086 721 A CA -0.605 51.525 52.037 0.154 0.000 0.665 721 A CB 1.336 20.469 19.000 0.222 0.000 1.279 721 A HN 0.579 nan 8.150 nan 0.000 0.423 722 D N 0.471 120.867 120.400 -0.005 0.000 2.158 722 D HA -0.006 4.657 4.640 0.038 0.000 0.197 722 D C 1.129 177.371 176.300 -0.097 0.000 0.995 722 D CA 2.528 56.505 54.000 -0.038 0.000 0.846 722 D CB 0.065 40.848 40.800 -0.027 0.000 0.941 722 D HN 0.814 nan 8.370 nan 0.000 0.456 723 S N -2.272 113.333 115.700 -0.158 0.000 2.671 723 S HA 0.661 5.154 4.470 0.038 0.000 0.277 723 S C -0.085 174.219 174.600 -0.493 0.000 1.165 723 S CA -0.392 57.654 58.200 -0.257 0.000 0.822 723 S CB 1.725 64.832 63.200 -0.155 0.000 1.150 723 S HN -0.041 nan 8.310 nan 0.000 0.479 724 A N 0.927 123.407 122.820 -0.567 0.000 2.346 724 A HA 0.333 4.676 4.320 0.038 0.000 0.242 724 A C 0.614 178.073 177.584 -0.208 0.000 1.323 724 A CA 0.316 51.923 52.037 -0.717 0.000 0.940 724 A CB -2.063 16.628 19.000 -0.515 0.000 0.943 724 A HN 0.998 nan 8.150 nan 0.000 0.501 725 D N -0.850 119.476 120.400 -0.123 0.000 2.045 725 D HA 0.036 4.699 4.640 0.038 0.000 0.229 725 D C 1.368 177.710 176.300 0.070 0.000 1.406 725 D CA 0.883 54.878 54.000 -0.009 0.000 0.910 725 D CB -0.056 40.748 40.800 0.006 0.000 1.473 725 D HN 0.019 nan 8.370 nan 0.000 0.554 726 G N -1.669 107.169 108.800 0.062 0.000 2.396 726 G HA2 -0.206 3.777 3.960 0.038 0.000 0.214 726 G HA3 -0.206 3.777 3.960 0.038 0.000 0.214 726 G C 1.627 176.579 174.900 0.087 0.000 1.166 726 G CA 0.827 45.968 45.100 0.068 0.000 0.793 726 G HN 0.555 nan 8.290 nan 0.000 0.533 727 S N -0.054 115.698 115.700 0.087 0.000 2.382 727 S HA -0.142 4.351 4.470 0.038 0.000 0.228 727 S C 2.104 176.770 174.600 0.110 0.000 1.027 727 S CA 1.459 59.706 58.200 0.078 0.000 0.991 727 S CB -0.469 62.769 63.200 0.063 0.000 0.823 727 S HN 0.338 nan 8.310 nan 0.000 0.469 728 F N 1.898 121.846 119.950 -0.004 0.000 2.091 728 F HA -0.140 4.410 4.527 0.038 0.000 0.299 728 F C 2.207 178.003 175.800 -0.006 0.000 1.103 728 F CA 2.067 60.065 58.000 -0.004 0.000 1.228 728 F CB -0.265 38.734 39.000 -0.002 0.000 0.984 728 F HN 0.227 nan 8.300 nan 0.000 0.477 729 M N -0.114 119.614 119.600 0.214 0.000 2.254 729 M HA -0.134 4.369 4.480 0.038 0.000 0.265 729 M C 1.725 178.019 176.300 -0.010 0.000 1.066 729 M CA 1.183 56.537 55.300 0.089 0.000 1.123 729 M CB -1.298 31.384 32.600 0.137 0.000 1.388 729 M HN 0.113 nan 8.290 nan 0.000 0.425 730 D N 0.698 121.101 120.400 0.005 0.000 2.117 730 D HA -0.148 4.515 4.640 0.038 0.000 0.197 730 D C 1.969 178.239 176.300 -0.049 0.000 0.987 730 D CA 1.243 55.234 54.000 -0.015 0.000 0.829 730 D CB -0.061 40.740 40.800 0.001 0.000 0.961 730 D HN 0.458 nan 8.370 nan 0.000 0.460 731 E N 0.198 120.351 120.200 -0.078 0.000 2.047 731 E HA -0.108 4.265 4.350 0.038 0.000 0.191 731 E C 2.104 178.616 176.600 -0.147 0.000 0.987 731 E CA 0.113 56.449 56.400 -0.107 0.000 0.799 731 E CB -0.031 29.593 29.700 -0.127 0.000 0.752 731 E HN 0.131 nan 8.360 nan 0.000 0.449 732 L N 1.095 122.190 121.223 -0.213 0.000 1.989 732 L HA -0.214 4.149 4.340 0.038 0.000 0.211 732 L C 2.218 179.015 176.870 -0.121 0.000 1.071 732 L CA 1.741 56.458 54.840 -0.206 0.000 0.749 732 L CB -0.645 41.252 42.059 -0.270 0.000 0.890 732 L HN 0.251 nan 8.230 nan 0.000 0.431 733 L N -0.636 120.537 121.223 -0.084 0.000 2.127 733 L HA -0.231 4.132 4.340 0.038 0.000 0.211 733 L C 2.446 179.288 176.870 -0.048 0.000 1.089 733 L CA 1.587 56.395 54.840 -0.052 0.000 0.757 733 L CB -0.774 41.266 42.059 -0.032 0.000 0.899 733 L HN 0.294 nan 8.230 nan 0.000 0.434 734 T N 0.143 114.665 114.554 -0.054 0.000 2.708 734 T HA -0.170 4.203 4.350 0.038 0.000 0.266 734 T C 1.948 176.614 174.700 -0.058 0.000 1.037 734 T CA 1.272 63.346 62.100 -0.045 0.000 1.146 734 T CB -0.269 68.574 68.868 -0.041 0.000 0.865 734 T HN 0.202 nan 8.240 nan 0.000 0.435 735 L N 0.267 121.436 121.223 -0.090 0.000 2.042 735 L HA -0.104 4.259 4.340 0.038 0.000 0.210 735 L C 2.712 179.514 176.870 -0.113 0.000 1.076 735 L CA 1.383 56.150 54.840 -0.122 0.000 0.749 735 L CB -0.578 41.389 42.059 -0.153 0.000 0.893 735 L HN 0.310 nan 8.230 nan 0.000 0.432 736 M N -0.796 118.754 119.600 -0.083 0.000 2.229 736 M HA -0.150 4.353 4.480 0.038 0.000 0.264 736 M C 2.416 178.714 176.300 -0.003 0.000 1.063 736 M CA 1.605 56.874 55.300 -0.051 0.000 1.114 736 M CB -0.452 32.128 32.600 -0.034 0.000 1.387 736 M HN 0.308 nan 8.290 nan 0.000 0.420 737 A N 0.183 123.001 122.820 -0.002 0.000 2.067 737 A HA 0.094 4.437 4.320 0.038 0.000 0.219 737 A C 2.116 179.737 177.584 0.062 0.000 1.158 737 A CA 1.615 53.671 52.037 0.031 0.000 0.661 737 A CB -0.556 18.457 19.000 0.021 0.000 0.801 737 A HN 0.488 nan 8.150 nan 0.000 0.452 738 A N -2.774 120.062 122.820 0.026 0.000 2.345 738 A HA 0.391 4.734 4.320 0.038 0.000 0.225 738 A C 0.876 178.471 177.584 0.018 0.000 1.243 738 A CA 1.138 53.200 52.037 0.042 0.000 0.875 738 A CB -0.390 18.595 19.000 -0.024 0.000 0.929 738 A HN 0.880 nan 8.150 nan 0.000 0.502 739 H N -1.215 117.783 119.070 -0.119 0.000 4.806 739 H HA -0.172 4.407 4.556 0.038 0.000 0.061 739 H C -0.001 175.097 175.328 -0.384 0.000 0.604 739 H CA 2.328 58.284 56.048 -0.154 0.000 0.938 739 H CB -0.592 29.174 29.762 0.007 0.000 0.431 739 H HN 0.447 nan 8.280 nan 0.000 0.803 740 R N -0.245 119.679 120.500 -0.960 0.000 2.808 740 R HA 0.615 4.978 4.340 0.038 0.000 0.272 740 R C -0.716 174.749 176.300 -1.393 0.000 0.995 740 R CA -0.304 55.004 56.100 -1.320 0.000 0.917 740 R CB 1.823 31.002 30.300 -1.867 0.000 1.217 740 R HN 0.084 nan 8.270 nan 0.000 0.471 741 V N 2.469 121.789 119.914 -0.990 0.000 2.258 741 V HA 0.115 4.258 4.120 0.038 0.000 0.258 741 V C 0.626 176.343 176.094 -0.629 0.000 1.121 741 V CA -0.403 61.477 62.300 -0.701 0.000 0.942 741 V CB -0.157 31.404 31.823 -0.438 0.000 1.170 741 V HN 0.720 nan 8.190 nan 0.000 0.487 742 W N 1.646 122.665 121.300 -0.468 0.000 2.425 742 W HA -0.144 4.539 4.660 0.038 0.000 0.277 742 W C 2.472 178.781 176.519 -0.350 0.000 1.231 742 W CA 0.767 57.747 57.345 -0.608 0.000 1.248 742 W CB -0.359 28.325 29.460 -1.293 0.000 1.117 742 W HN 0.652 nan 8.180 nan 0.000 0.568 743 S N 0.689 116.340 115.700 -0.081 0.000 2.507 743 S HA -0.130 4.363 4.470 0.038 0.000 0.235 743 S C 1.676 176.241 174.600 -0.058 0.000 0.988 743 S CA 0.809 58.986 58.200 -0.039 0.000 0.944 743 S CB -0.388 62.788 63.200 -0.039 0.000 0.762 743 S HN 0.417 nan 8.310 nan 0.000 0.526 744 R N 0.603 121.028 120.500 -0.126 0.000 2.275 744 R HA 0.275 4.638 4.340 0.038 0.000 0.199 744 R C 1.727 177.966 176.300 -0.102 0.000 0.989 744 R CA 0.302 56.307 56.100 -0.158 0.000 1.016 744 R CB -0.328 29.768 30.300 -0.341 0.000 0.918 744 R HN 0.459 nan 8.270 nan 0.000 0.473 745 I N 1.697 122.246 120.570 -0.034 0.000 2.194 745 I HA -0.207 3.986 4.170 0.038 0.000 0.246 745 I C -0.843 175.302 176.117 0.045 0.000 1.093 745 I CA 1.252 62.572 61.300 0.034 0.000 1.355 745 I CB -0.657 37.413 38.000 0.116 0.000 1.046 745 I HN 0.148 nan 8.210 nan 0.000 0.413 746 P HA -0.106 nan 4.420 nan 0.000 0.230 746 P C 1.016 178.348 177.300 0.053 0.000 1.158 746 P CA 1.179 64.311 63.100 0.053 0.000 0.769 746 P CB -0.031 31.698 31.700 0.049 0.000 0.807 747 K N -0.225 120.204 120.400 0.047 0.000 2.314 747 K HA 0.102 4.445 4.320 0.038 0.000 0.198 747 K C 1.935 178.606 176.600 0.117 0.000 1.045 747 K CA 0.668 57.009 56.287 0.090 0.000 0.988 747 K CB -0.293 32.289 32.500 0.138 0.000 0.783 747 K HN 0.274 nan 8.250 nan 0.000 0.484 748 I N -1.123 119.487 120.570 0.066 0.000 2.830 748 I HA -0.087 4.106 4.170 0.038 0.000 0.263 748 I C 0.877 177.043 176.117 0.080 0.000 1.230 748 I CA 1.155 62.499 61.300 0.074 0.000 1.480 748 I CB -0.089 37.905 38.000 -0.010 0.000 1.095 748 I HN -0.131 nan 8.210 nan 0.000 0.455 749 D N 2.302 122.748 120.400 0.077 0.000 2.263 749 D HA -0.132 4.531 4.640 0.038 0.000 0.208 749 D C 1.814 178.155 176.300 0.069 0.000 0.971 749 D CA 1.240 55.285 54.000 0.075 0.000 0.867 749 D CB 0.067 40.911 40.800 0.074 0.000 0.929 749 D HN 0.447 nan 8.370 nan 0.000 0.492 750 K N -0.226 120.215 120.400 0.069 0.000 2.361 750 K HA 0.231 4.574 4.320 0.038 0.000 0.194 750 K C 0.817 177.449 176.600 0.053 0.000 1.032 750 K CA -0.145 56.176 56.287 0.057 0.000 1.048 750 K CB 1.035 33.566 32.500 0.052 0.000 0.842 750 K HN 0.128 nan 8.250 nan 0.000 0.526 751 I N 3.679 124.289 120.570 0.066 0.000 2.396 751 I HA 0.146 4.339 4.170 0.038 0.000 0.289 751 I C -2.263 173.884 176.117 0.050 0.000 1.056 751 I CA -2.419 58.914 61.300 0.054 0.000 1.365 751 I CB 0.951 39.002 38.000 0.085 0.000 1.407 751 I HN -0.016 nan 8.210 nan 0.000 0.509 752 P HA 0.346 nan 4.420 nan 0.000 0.266 752 P C -0.976 176.381 177.300 0.094 0.000 1.586 752 P CA -0.058 63.079 63.100 0.060 0.000 1.088 752 P CB 0.559 32.289 31.700 0.050 0.000 1.584 753 A N 0.000 122.878 122.820 0.097 0.000 2.254 753 A HA 0.000 4.343 4.320 0.038 0.000 0.244 753 A CA 0.000 52.141 52.037 0.174 0.000 0.836 753 A CB 0.000 18.967 19.000 -0.055 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486