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 3pq7_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 0.000 174.563 174.600 -0.061 0.000 1.055 28 S CA 0.000 58.171 58.200 -0.048 0.000 1.107 28 S CB 0.000 63.171 63.200 -0.048 0.000 0.593 29 L N 2.888 124.065 121.223 -0.076 0.000 2.463 29 L HA 0.450 4.820 4.340 0.050 0.000 0.219 29 L C 1.517 178.309 176.870 -0.130 0.000 1.088 29 L CA 0.396 55.187 54.840 -0.082 0.000 0.849 29 L CB -0.380 41.642 42.059 -0.062 0.000 1.012 29 L HN 0.704 nan 8.230 nan 0.000 0.468 30 A N 1.581 124.268 122.820 -0.221 0.000 2.448 30 A HA 0.322 4.672 4.320 0.050 0.000 0.239 30 A C -2.039 175.402 177.584 -0.238 0.000 1.080 30 A CA -0.787 51.002 52.037 -0.414 0.000 0.779 30 A CB -0.646 17.811 19.000 -0.905 0.000 1.026 30 A HN -0.004 nan 8.150 nan 0.000 0.499 31 P HA 0.135 nan 4.420 nan 0.000 0.276 31 P C 0.312 177.604 177.300 -0.014 0.000 1.230 31 P CA -0.149 62.925 63.100 -0.044 0.000 0.776 31 P CB 0.980 32.694 31.700 0.023 0.000 0.888 32 E N 2.419 122.615 120.200 -0.008 0.000 2.172 32 E HA -0.270 4.110 4.350 0.050 0.000 0.213 32 E C 1.128 177.750 176.600 0.037 0.000 1.051 32 E CA 2.358 58.764 56.400 0.010 0.000 0.860 32 E CB -0.550 29.153 29.700 0.005 0.000 0.755 32 E HN 0.628 nan 8.360 nan 0.000 0.462 33 D N -1.842 118.585 120.400 0.046 0.000 2.349 33 D HA 0.065 4.735 4.640 0.050 0.000 0.224 33 D C 1.218 177.565 176.300 0.078 0.000 1.029 33 D CA 0.905 54.935 54.000 0.050 0.000 0.879 33 D CB -0.332 40.490 40.800 0.037 0.000 0.906 33 D HN 0.296 nan 8.370 nan 0.000 0.528 34 G N 0.462 109.351 108.800 0.148 0.000 2.155 34 G HA2 -0.369 3.622 3.960 0.050 0.000 0.257 34 G HA3 -0.369 3.622 3.960 0.050 0.000 0.257 34 G C 1.049 176.020 174.900 0.118 0.000 0.983 34 G CA 0.878 46.105 45.100 0.212 0.000 0.676 34 G HN 0.711 nan 8.290 nan 0.000 0.528 35 S N 0.609 116.395 115.700 0.144 0.000 2.603 35 S HA -0.039 4.461 4.470 0.050 0.000 0.229 35 S C 1.929 176.577 174.600 0.079 0.000 0.972 35 S CA 1.153 59.394 58.200 0.069 0.000 0.935 35 S CB -0.564 62.670 63.200 0.057 0.000 0.769 35 S HN 0.935 nan 8.310 nan 0.000 0.536 36 H N 1.042 120.119 119.070 0.010 0.000 2.495 36 H HA 0.230 4.816 4.556 0.050 0.000 0.287 36 H C 0.844 176.183 175.328 0.018 0.000 1.033 36 H CA 0.498 56.553 56.048 0.012 0.000 1.307 36 H CB -0.304 29.464 29.762 0.010 0.000 1.401 36 H HN 0.386 nan 8.280 nan 0.000 0.555 37 R N 2.157 122.361 120.500 -0.494 0.000 2.343 37 R HA 0.369 4.739 4.340 0.050 0.000 0.320 37 R C -2.721 173.485 176.300 -0.155 0.000 0.956 37 R CA -2.042 53.840 56.100 -0.362 0.000 0.836 37 R CB 1.083 31.076 30.300 -0.511 0.000 1.151 37 R HN 0.072 nan 8.270 nan 0.000 0.450 38 P HA 0.113 nan 4.420 nan 0.000 0.268 38 P C -0.976 176.315 177.300 -0.014 0.000 1.205 38 P CA -0.283 62.807 63.100 -0.017 0.000 0.771 38 P CB 1.022 32.737 31.700 0.025 0.000 0.858 39 A N 2.852 125.669 122.820 -0.005 0.000 2.498 39 A HA 0.386 4.737 4.320 0.050 0.000 0.239 39 A C 0.891 178.486 177.584 0.017 0.000 1.068 39 A CA 0.142 52.180 52.037 0.001 0.000 0.766 39 A CB -0.371 18.632 19.000 0.005 0.000 1.003 39 A HN 0.577 nan 8.150 nan 0.000 0.497 40 A N 2.931 125.761 122.820 0.017 0.000 3.135 40 A HA 0.497 4.847 4.320 0.050 0.000 0.253 40 A C 0.317 177.919 177.584 0.030 0.000 1.638 40 A CA 0.089 52.143 52.037 0.027 0.000 1.295 40 A CB -0.839 18.174 19.000 0.022 0.000 1.106 40 A HN 0.883 nan 8.150 nan 0.000 0.648 41 E N -0.263 119.957 120.200 0.034 0.000 2.412 41 E HA 0.537 4.917 4.350 0.050 0.000 0.279 41 E C -3.252 173.372 176.600 0.039 0.000 0.984 41 E CA -2.509 53.912 56.400 0.035 0.000 0.788 41 E CB 1.402 31.117 29.700 0.025 0.000 1.277 41 E HN 0.089 nan 8.360 nan 0.000 0.455 42 P HA 0.061 nan 4.420 nan 0.000 0.271 42 P C -0.573 176.737 177.300 0.017 0.000 1.216 42 P CA 0.132 63.249 63.100 0.029 0.000 0.771 42 P CB 0.779 32.484 31.700 0.009 0.000 0.864 43 T N 0.248 114.808 114.554 0.011 0.000 2.903 43 T HA 0.599 4.979 4.350 0.050 0.000 0.299 43 T C -2.965 171.710 174.700 -0.042 0.000 1.093 43 T CA -2.512 59.588 62.100 -0.001 0.000 1.002 43 T CB 1.480 70.353 68.868 0.008 0.000 1.127 43 T HN 0.116 nan 8.240 nan 0.000 0.488 44 P HA 0.373 nan 4.420 nan 0.000 0.272 44 P C -2.753 174.409 177.300 -0.230 0.000 1.240 44 P CA -1.647 61.310 63.100 -0.238 0.000 0.791 44 P CB -1.025 30.590 31.700 -0.142 0.000 0.978 45 P HA 0.045 nan 4.420 nan 0.000 0.262 45 P C 1.028 178.282 177.300 -0.077 0.000 1.182 45 P CA 1.470 64.469 63.100 -0.167 0.000 0.761 45 P CB -0.273 31.323 31.700 -0.173 0.000 0.795 46 G N 2.789 111.572 108.800 -0.028 0.000 2.184 46 G HA2 -0.350 3.640 3.960 0.050 0.000 0.264 46 G HA3 -0.350 3.640 3.960 0.050 0.000 0.264 46 G C 1.132 176.030 174.900 -0.003 0.000 0.975 46 G CA 0.431 45.528 45.100 -0.005 0.000 0.642 46 G HN 0.671 nan 8.290 nan 0.000 0.536 47 A N -1.272 121.542 122.820 -0.011 0.000 1.968 47 A HA 0.399 4.749 4.320 0.050 0.000 0.217 47 A C 1.392 178.979 177.584 0.005 0.000 1.169 47 A CA 1.928 53.963 52.037 -0.003 0.000 0.638 47 A CB 0.020 19.016 19.000 -0.006 0.000 0.812 47 A HN 0.492 nan 8.150 nan 0.000 0.446 48 Q N -0.996 118.810 119.800 0.011 0.000 2.456 48 Q HA 0.446 4.817 4.340 0.050 0.000 0.283 48 Q C -2.924 173.091 176.000 0.024 0.000 1.084 48 Q CA -2.097 53.716 55.803 0.017 0.000 0.801 48 Q CB 0.989 29.741 28.738 0.022 0.000 1.434 48 Q HN 0.079 nan 8.270 nan 0.000 0.419 49 P HA 0.038 nan 4.420 nan 0.000 0.268 49 P C -0.251 177.080 177.300 0.052 0.000 1.205 49 P CA 0.036 63.151 63.100 0.024 0.000 0.771 49 P CB 0.217 31.929 31.700 0.020 0.000 0.858 50 T N -0.553 114.032 114.554 0.052 0.000 2.860 50 T HA 0.584 4.965 4.350 0.050 0.000 0.299 50 T C -0.016 174.769 174.700 0.142 0.000 1.045 50 T CA -0.503 61.678 62.100 0.134 0.000 1.071 50 T CB 0.610 69.503 68.868 0.042 0.000 0.985 50 T HN 0.565 nan 8.240 nan 0.000 0.537 51 A N 1.956 124.958 122.820 0.304 0.000 2.587 51 A HA 0.774 5.124 4.320 0.050 0.000 0.293 51 A C -3.020 174.821 177.584 0.429 0.000 1.087 51 A CA -2.077 50.114 52.037 0.257 0.000 0.692 51 A CB 0.760 19.862 19.000 0.171 0.000 1.291 51 A HN 0.665 nan 8.150 nan 0.000 0.407 52 P HA 0.120 nan 4.420 nan 0.000 0.265 52 P C 1.166 178.621 177.300 0.258 0.000 1.187 52 P CA 0.847 64.164 63.100 0.361 0.000 0.766 52 P CB 0.588 32.420 31.700 0.221 0.000 0.820 53 G N 1.848 110.762 108.800 0.190 0.000 2.432 53 G HA2 -0.241 3.749 3.960 0.050 0.000 0.219 53 G HA3 -0.241 3.749 3.960 0.050 0.000 0.219 53 G C 1.492 176.412 174.900 0.035 0.000 1.135 53 G CA 0.921 46.047 45.100 0.044 0.000 0.767 53 G HN 0.586 nan 8.290 nan 0.000 0.550 54 S N 0.008 115.732 115.700 0.041 0.000 2.481 54 S HA 0.136 4.636 4.470 0.050 0.000 0.231 54 S C 2.175 176.795 174.600 0.034 0.000 0.996 54 S CA 0.580 58.788 58.200 0.014 0.000 0.942 54 S CB -0.165 63.036 63.200 0.002 0.000 0.768 54 S HN 0.304 nan 8.310 nan 0.000 0.520 55 L N -0.177 121.084 121.223 0.063 0.000 2.298 55 L HA 0.249 4.619 4.340 0.050 0.000 0.209 55 L C 2.692 179.598 176.870 0.059 0.000 1.084 55 L CA 0.734 55.611 54.840 0.060 0.000 0.816 55 L CB -0.341 41.762 42.059 0.074 0.000 0.967 55 L HN 0.235 nan 8.230 nan 0.000 0.460 56 K N 1.478 121.924 120.400 0.077 0.000 2.057 56 K HA 0.003 4.353 4.320 0.050 0.000 0.206 56 K C 0.762 177.393 176.600 0.053 0.000 1.050 56 K CA 1.389 57.721 56.287 0.075 0.000 0.935 56 K CB 0.043 32.604 32.500 0.102 0.000 0.715 56 K HN 0.161 nan 8.250 nan 0.000 0.439 57 A N 0.498 123.341 122.820 0.039 0.000 3.317 57 A HA 0.362 4.713 4.320 0.050 0.000 0.307 57 A C -2.274 175.315 177.584 0.008 0.000 1.003 57 A CA -0.990 51.065 52.037 0.030 0.000 0.882 57 A CB 0.652 19.672 19.000 0.033 0.000 1.136 57 A HN 0.119 nan 8.150 nan 0.000 0.488 58 P HA -0.044 nan 4.420 nan 0.000 0.223 58 P C 0.081 177.375 177.300 -0.011 0.000 1.151 58 P CA 1.112 64.212 63.100 -0.001 0.000 0.787 58 P CB 0.360 32.064 31.700 0.007 0.000 0.788 59 D N -1.225 119.173 120.400 -0.004 0.000 2.340 59 D HA 0.037 4.707 4.640 0.050 0.000 0.217 59 D C 0.142 176.430 176.300 -0.020 0.000 1.081 59 D CA 0.456 54.450 54.000 -0.010 0.000 0.842 59 D CB -0.240 40.561 40.800 0.001 0.000 0.934 59 D HN 0.059 nan 8.370 nan 0.000 0.511 60 T N 2.576 117.114 114.554 -0.026 0.000 2.737 60 T HA 0.302 4.683 4.350 0.050 0.000 0.296 60 T C 0.453 175.108 174.700 -0.075 0.000 0.922 60 T CA -0.335 61.735 62.100 -0.050 0.000 1.079 60 T CB 1.005 69.841 68.868 -0.054 0.000 0.892 60 T HN -0.136 nan 8.240 nan 0.000 0.514 61 R N 3.175 123.624 120.500 -0.085 0.000 2.795 61 R HA 0.624 4.994 4.340 0.050 0.000 0.275 61 R C -0.565 175.674 176.300 -0.100 0.000 0.981 61 R CA -0.988 55.056 56.100 -0.093 0.000 0.917 61 R CB 1.950 32.204 30.300 -0.077 0.000 1.202 61 R HN 0.813 nan 8.270 nan 0.000 0.469 62 N N -1.898 116.745 118.700 -0.095 0.000 2.934 62 N HA 0.037 4.807 4.740 0.050 0.000 0.253 62 N C 0.236 175.700 175.510 -0.076 0.000 1.466 62 N CA -0.839 52.167 53.050 -0.072 0.000 0.858 62 N CB 0.841 39.314 38.487 -0.022 0.000 1.459 62 N HN 0.588 nan 8.380 nan 0.000 0.532 63 E N -0.255 119.914 120.200 -0.051 0.000 2.110 63 E HA -0.249 4.131 4.350 0.050 0.000 0.193 63 E C 1.084 177.614 176.600 -0.116 0.000 0.988 63 E CA 1.346 57.712 56.400 -0.058 0.000 0.804 63 E CB 0.089 29.780 29.700 -0.014 0.000 0.745 63 E HN 0.494 nan 8.360 nan 0.000 0.458 64 K N 0.706 121.001 120.400 -0.174 0.000 2.025 64 K HA -0.076 4.274 4.320 0.050 0.000 0.207 64 K C 2.087 178.522 176.600 -0.276 0.000 1.049 64 K CA 1.193 57.279 56.287 -0.334 0.000 0.933 64 K CB -0.390 31.735 32.500 -0.624 0.000 0.714 64 K HN 0.182 nan 8.250 nan 0.000 0.438 65 L N 0.851 121.926 121.223 -0.247 0.000 2.083 65 L HA -0.207 4.163 4.340 0.050 0.000 0.209 65 L C 1.886 178.640 176.870 -0.193 0.000 1.083 65 L CA 1.228 55.897 54.840 -0.285 0.000 0.752 65 L CB -0.575 41.310 42.059 -0.290 0.000 0.899 65 L HN 0.268 nan 8.230 nan 0.000 0.433 66 N N -0.295 118.317 118.700 -0.146 0.000 2.142 66 N HA -0.162 4.608 4.740 0.050 0.000 0.186 66 N C 2.066 177.517 175.510 -0.100 0.000 1.023 66 N CA 1.680 54.666 53.050 -0.105 0.000 0.852 66 N CB -0.486 37.953 38.487 -0.081 0.000 0.998 66 N HN 0.339 nan 8.380 nan 0.000 0.424 67 S N 0.498 116.130 115.700 -0.113 0.000 2.469 67 S HA -0.021 4.479 4.470 0.050 0.000 0.238 67 S C 1.763 176.299 174.600 -0.106 0.000 0.998 67 S CA 0.539 58.678 58.200 -0.102 0.000 0.957 67 S CB -0.510 62.625 63.200 -0.109 0.000 0.764 67 S HN 0.271 nan 8.310 nan 0.000 0.514 68 L N 0.694 121.839 121.223 -0.130 0.000 2.599 68 L HA 0.203 4.574 4.340 0.050 0.000 0.230 68 L C 2.579 179.399 176.870 -0.082 0.000 1.141 68 L CA 0.540 55.311 54.840 -0.115 0.000 0.877 68 L CB -0.385 41.589 42.059 -0.143 0.000 1.009 68 L HN 0.275 nan 8.230 nan 0.000 0.447 69 E N 1.070 121.225 120.200 -0.074 0.000 2.204 69 E HA -0.246 4.134 4.350 0.050 0.000 0.195 69 E C 1.661 178.237 176.600 -0.038 0.000 0.990 69 E CA 1.371 57.740 56.400 -0.051 0.000 0.821 69 E CB -0.047 29.626 29.700 -0.045 0.000 0.750 69 E HN 0.566 nan 8.360 nan 0.000 0.477 70 D N -0.635 119.740 120.400 -0.042 0.000 2.310 70 D HA -0.127 4.543 4.640 0.050 0.000 0.212 70 D C 1.556 177.837 176.300 -0.031 0.000 0.965 70 D CA 1.370 55.350 54.000 -0.033 0.000 0.879 70 D CB -0.180 40.600 40.800 -0.035 0.000 0.921 70 D HN 0.295 nan 8.370 nan 0.000 0.510 71 V N -3.634 116.259 119.914 -0.035 0.000 3.556 71 V HA 0.342 4.492 4.120 0.050 0.000 0.287 71 V C 0.799 176.881 176.094 -0.020 0.000 1.422 71 V CA -0.719 61.564 62.300 -0.028 0.000 1.038 71 V CB -0.362 31.444 31.823 -0.029 0.000 0.850 71 V HN -0.166 nan 8.190 nan 0.000 0.437 72 R N 2.097 122.585 120.500 -0.020 0.000 2.491 72 R HA 0.460 4.830 4.340 0.050 0.000 0.283 72 R C -0.225 176.071 176.300 -0.007 0.000 1.072 72 R CA 0.053 56.148 56.100 -0.007 0.000 1.048 72 R CB 0.799 31.096 30.300 -0.006 0.000 0.983 72 R HN 0.388 nan 8.270 nan 0.000 0.450 73 K N 1.018 121.418 120.400 -0.000 0.000 2.397 73 K HA 0.355 4.705 4.320 0.050 0.000 0.253 73 K C -0.190 176.420 176.600 0.017 0.000 0.932 73 K CA -0.497 55.778 56.287 -0.019 0.000 0.795 73 K CB 1.876 34.346 32.500 -0.049 0.000 1.159 73 K HN 0.715 nan 8.250 nan 0.000 0.424 74 G N 0.447 109.277 108.800 0.049 0.000 2.630 74 G HA2 0.285 4.275 3.960 0.050 0.000 0.223 74 G HA3 0.285 4.275 3.960 0.050 0.000 0.223 74 G C 0.323 175.322 174.900 0.165 0.000 1.434 74 G CA 0.326 45.505 45.100 0.132 0.000 1.057 74 G HN 0.728 nan 8.290 nan 0.000 0.570 75 S N -2.589 113.291 115.700 0.300 0.000 2.323 75 S HA 0.099 4.599 4.470 0.050 0.000 0.233 75 S C 0.155 174.927 174.600 0.287 0.000 0.898 75 S CA -0.084 58.288 58.200 0.287 0.000 1.321 75 S CB -0.071 63.214 63.200 0.140 0.000 0.921 75 S HN 0.513 nan 8.310 nan 0.000 0.398 76 E N 3.174 123.463 120.200 0.149 0.000 2.384 76 E HA 0.349 4.729 4.350 0.050 0.000 0.266 76 E C -0.233 176.291 176.600 -0.127 0.000 1.012 76 E CA 0.044 56.460 56.400 0.026 0.000 0.901 76 E CB 0.043 29.749 29.700 0.009 0.000 0.967 76 E HN 0.385 nan 8.360 nan 0.000 0.435 77 N N 0.417 119.053 118.700 -0.107 0.000 2.828 77 N HA -0.206 4.564 4.740 0.050 0.000 0.248 77 N C -1.130 174.246 175.510 -0.224 0.000 1.044 77 N CA 1.177 54.117 53.050 -0.182 0.000 0.851 77 N CB -1.328 37.007 38.487 -0.253 0.000 1.136 77 N HN 0.406 nan 8.380 nan 0.000 0.572 78 Y N 0.555 120.860 120.300 0.008 0.000 2.457 78 Y HA 0.641 5.222 4.550 0.051 0.000 0.333 78 Y C 0.864 176.766 175.900 0.004 0.000 1.119 78 Y CA -0.622 57.481 58.100 0.006 0.000 1.143 78 Y CB 1.107 39.572 38.460 0.007 0.000 1.230 78 Y HN 0.115 nan 8.280 nan 0.000 0.469 79 A N 2.589 125.521 122.820 0.187 0.000 2.388 79 A HA 0.399 4.749 4.320 0.050 0.000 0.257 79 A C -0.696 176.935 177.584 0.078 0.000 1.095 79 A CA -0.506 51.590 52.037 0.098 0.000 0.791 79 A CB 0.048 19.094 19.000 0.076 0.000 1.029 79 A HN 0.718 nan 8.150 nan 0.000 0.489 80 L N 3.101 124.351 121.223 0.046 0.000 2.410 80 L HA 0.486 4.856 4.340 0.050 0.000 0.273 80 L C 0.684 177.562 176.870 0.013 0.000 1.144 80 L CA 1.200 56.054 54.840 0.023 0.000 0.863 80 L CB 0.343 42.407 42.059 0.008 0.000 1.140 80 L HN 0.908 nan 8.230 nan 0.000 0.463 81 T N 0.370 114.926 114.554 0.004 0.000 2.887 81 T HA 0.660 5.040 4.350 0.050 0.000 0.292 81 T C 0.213 174.914 174.700 0.001 0.000 1.087 81 T CA -0.198 61.907 62.100 0.007 0.000 1.009 81 T CB 0.992 69.867 68.868 0.012 0.000 1.203 81 T HN 0.797 nan 8.240 nan 0.000 0.518 82 T N 0.402 114.971 114.554 0.024 0.000 2.701 82 T HA 0.185 4.565 4.350 0.050 0.000 0.303 82 T C 1.134 175.850 174.700 0.028 0.000 1.030 82 T CA -0.455 61.669 62.100 0.039 0.000 1.010 82 T CB -0.103 68.832 68.868 0.112 0.000 1.007 82 T HN 0.577 nan 8.240 nan 0.000 0.532 83 N N 0.599 119.319 118.700 0.033 0.000 2.364 83 N HA -0.087 4.683 4.740 0.050 0.000 0.183 83 N C 1.654 177.185 175.510 0.035 0.000 1.022 83 N CA 0.725 53.788 53.050 0.023 0.000 0.883 83 N CB -0.233 38.278 38.487 0.040 0.000 0.965 83 N HN 0.576 nan 8.380 nan 0.000 0.438 84 Q N -0.472 119.363 119.800 0.058 0.000 2.444 84 Q HA 0.170 4.540 4.340 0.050 0.000 0.206 84 Q C 0.885 176.910 176.000 0.042 0.000 0.948 84 Q CA 0.367 56.201 55.803 0.050 0.000 0.946 84 Q CB 0.328 29.103 28.738 0.062 0.000 1.027 84 Q HN 0.437 nan 8.270 nan 0.000 0.513 85 G N 0.264 109.085 108.800 0.036 0.000 2.157 85 G HA2 -0.238 3.752 3.960 0.050 0.000 0.239 85 G HA3 -0.238 3.752 3.960 0.050 0.000 0.239 85 G C 0.132 175.058 174.900 0.043 0.000 0.982 85 G CA 0.098 45.214 45.100 0.026 0.000 0.650 85 G HN 0.232 nan 8.290 nan 0.000 0.527 86 V N 1.929 121.884 119.914 0.069 0.000 2.461 86 V HA 0.360 4.510 4.120 0.050 0.000 0.275 86 V C 1.282 177.415 176.094 0.064 0.000 1.047 86 V CA -0.529 61.824 62.300 0.088 0.000 0.955 86 V CB 1.136 33.056 31.823 0.162 0.000 0.988 86 V HN 0.380 nan 8.190 nan 0.000 0.471 87 R N 4.469 124.999 120.500 0.051 0.000 2.489 87 R HA 0.315 4.685 4.340 0.050 0.000 0.287 87 R C -0.469 175.844 176.300 0.021 0.000 1.053 87 R CA -0.039 56.081 56.100 0.034 0.000 1.036 87 R CB 0.410 30.730 30.300 0.034 0.000 0.966 87 R HN 0.583 nan 8.270 nan 0.000 0.432 88 I N 2.468 123.039 120.570 0.000 0.000 2.342 88 I HA 0.079 4.279 4.170 0.050 0.000 0.291 88 I C 1.118 177.223 176.117 -0.020 0.000 1.010 88 I CA 0.075 61.359 61.300 -0.026 0.000 1.308 88 I CB 1.773 39.746 38.000 -0.045 0.000 1.400 88 I HN 0.764 nan 8.210 nan 0.000 0.488 89 A N 4.201 127.005 122.820 -0.026 0.000 1.911 89 A HA -0.010 4.340 4.320 0.050 0.000 0.212 89 A C 0.732 178.300 177.584 -0.027 0.000 1.189 89 A CA 0.983 53.008 52.037 -0.019 0.000 0.639 89 A CB 0.030 19.021 19.000 -0.014 0.000 0.839 89 A HN 0.693 nan 8.150 nan 0.000 0.449 90 D N -0.623 119.753 120.400 -0.040 0.000 2.389 90 D HA 0.318 4.988 4.640 0.050 0.000 0.256 90 D C -1.281 174.986 176.300 -0.054 0.000 1.239 90 D CA -0.384 53.591 54.000 -0.042 0.000 0.925 90 D CB 1.051 41.827 40.800 -0.040 0.000 1.145 90 D HN 0.053 nan 8.370 nan 0.000 0.542 91 D N 1.926 122.297 120.400 -0.049 0.000 2.370 91 D HA 0.047 4.717 4.640 0.050 0.000 0.230 91 D C 0.649 176.917 176.300 -0.053 0.000 1.143 91 D CA 0.326 54.294 54.000 -0.055 0.000 0.834 91 D CB 0.496 41.269 40.800 -0.046 0.000 0.944 91 D HN 0.260 nan 8.370 nan 0.000 0.504 92 Q N -0.708 119.062 119.800 -0.050 0.000 2.246 92 Q HA 0.255 4.625 4.340 0.050 0.000 0.222 92 Q C -0.153 175.817 176.000 -0.049 0.000 0.851 92 Q CA 0.136 55.911 55.803 -0.047 0.000 0.945 92 Q CB 0.822 29.536 28.738 -0.039 0.000 1.122 92 Q HN 0.182 nan 8.270 nan 0.000 0.508 93 N N 0.197 118.865 118.700 -0.052 0.000 2.277 93 N HA 0.298 5.069 4.740 0.050 0.000 0.286 93 N C -0.982 174.494 175.510 -0.057 0.000 1.140 93 N CA -0.254 52.766 53.050 -0.049 0.000 0.799 93 N CB 2.131 40.593 38.487 -0.040 0.000 1.596 93 N HN -0.170 nan 8.380 nan 0.000 0.473 94 S N 0.758 116.427 115.700 -0.051 0.000 2.603 94 S HA 0.241 4.742 4.470 0.050 0.000 0.268 94 S C 0.180 174.755 174.600 -0.042 0.000 1.317 94 S CA -0.524 57.646 58.200 -0.050 0.000 1.012 94 S CB 0.625 63.802 63.200 -0.039 0.000 0.926 94 S HN 0.386 nan 8.310 nan 0.000 0.539 95 L N 3.607 124.806 121.223 -0.040 0.000 2.313 95 L HA 0.425 4.795 4.340 0.050 0.000 0.282 95 L C 0.061 176.924 176.870 -0.013 0.000 1.092 95 L CA 0.345 55.170 54.840 -0.025 0.000 0.831 95 L CB -0.102 41.944 42.059 -0.021 0.000 1.159 95 L HN 0.720 nan 8.230 nan 0.000 0.442 96 R N 4.219 124.713 120.500 -0.010 0.000 2.808 96 R HA 0.869 5.239 4.340 0.050 0.000 0.272 96 R C -1.188 175.111 176.300 -0.001 0.000 0.995 96 R CA -0.862 55.235 56.100 -0.005 0.000 0.917 96 R CB 1.189 31.483 30.300 -0.009 0.000 1.217 96 R HN 0.579 nan 8.270 nan 0.000 0.471 97 A N 1.392 124.212 122.820 0.001 0.000 2.527 97 A HA 0.603 4.953 4.320 0.050 0.000 0.313 97 A C 0.592 178.176 177.584 0.000 0.000 1.410 97 A CA 0.244 52.282 52.037 0.003 0.000 1.060 97 A CB -0.770 18.233 19.000 0.005 0.000 1.137 97 A HN 1.249 nan 8.150 nan 0.000 0.542 98 G N 1.286 110.086 108.800 -0.001 0.000 2.705 98 G HA2 0.032 4.022 3.960 0.050 0.000 0.686 98 G HA3 0.032 4.022 3.960 0.050 0.000 0.686 98 G C 0.653 175.550 174.900 -0.005 0.000 1.285 98 G CA 0.127 45.226 45.100 -0.003 0.000 0.800 98 G HN 1.886 nan 8.290 nan 0.000 0.611 99 S N -0.170 115.526 115.700 -0.006 0.000 2.555 99 S HA 0.040 4.540 4.470 0.050 0.000 0.230 99 S C 1.483 176.077 174.600 -0.009 0.000 0.978 99 S CA 1.254 59.448 58.200 -0.009 0.000 0.934 99 S CB 0.091 63.286 63.200 -0.009 0.000 0.766 99 S HN 0.740 nan 8.310 nan 0.000 0.533 100 R N 0.846 121.341 120.500 -0.007 0.000 2.613 100 R HA 0.340 4.710 4.340 0.050 0.000 0.361 100 R C 0.856 177.152 176.300 -0.006 0.000 1.072 100 R CA 0.014 56.110 56.100 -0.007 0.000 1.089 100 R CB 0.783 31.079 30.300 -0.006 0.000 1.343 100 R HN 0.441 nan 8.270 nan 0.000 0.571 101 G N 1.642 110.439 108.800 -0.005 0.000 2.557 101 G HA2 0.396 4.386 3.960 0.050 0.000 0.302 101 G HA3 0.396 4.386 3.960 0.050 0.000 0.302 101 G C -2.398 172.499 174.900 -0.004 0.000 1.311 101 G CA -1.091 44.007 45.100 -0.003 0.000 1.030 101 G HN -0.098 nan 8.290 nan 0.000 0.509 102 P HA 0.234 nan 4.420 nan 0.000 0.274 102 P C -0.201 177.098 177.300 -0.000 0.000 1.231 102 P CA -0.097 63.003 63.100 -0.000 0.000 0.790 102 P CB 0.816 32.517 31.700 0.003 0.000 0.951 103 T N 2.277 116.830 114.554 -0.001 0.000 2.907 103 T HA 0.273 4.653 4.350 0.050 0.000 0.298 103 T C 0.444 175.147 174.700 0.006 0.000 1.017 103 T CA -0.157 61.942 62.100 -0.001 0.000 1.118 103 T CB -0.006 68.859 68.868 -0.005 0.000 0.948 103 T HN 0.182 nan 8.240 nan 0.000 0.531 104 L N 3.608 124.837 121.223 0.010 0.000 2.312 104 L HA 0.307 4.678 4.340 0.050 0.000 0.281 104 L C 1.369 178.257 176.870 0.030 0.000 1.070 104 L CA -0.760 54.092 54.840 0.020 0.000 0.805 104 L CB 0.901 42.974 42.059 0.023 0.000 1.174 104 L HN 0.513 nan 8.230 nan 0.000 0.434 105 L N 2.524 123.768 121.223 0.035 0.000 2.265 105 L HA -0.177 4.193 4.340 0.050 0.000 0.215 105 L C 2.264 179.175 176.870 0.068 0.000 1.117 105 L CA 1.577 56.445 54.840 0.045 0.000 0.782 105 L CB -0.581 41.502 42.059 0.039 0.000 0.914 105 L HN 0.786 nan 8.230 nan 0.000 0.441 106 E N -1.612 118.631 120.200 0.073 0.000 2.516 106 E HA -0.163 4.217 4.350 0.050 0.000 0.199 106 E C 0.175 176.882 176.600 0.178 0.000 1.069 106 E CA 0.192 56.663 56.400 0.118 0.000 0.876 106 E CB -0.496 29.265 29.700 0.101 0.000 0.843 106 E HN 0.363 nan 8.360 nan 0.000 0.530 107 D N 1.261 121.720 120.400 0.099 0.000 2.498 107 D HA -0.045 4.625 4.640 0.050 0.000 0.229 107 D C 0.413 176.741 176.300 0.048 0.000 1.188 107 D CA -0.501 53.514 54.000 0.026 0.000 1.028 107 D CB -0.225 40.558 40.800 -0.029 0.000 1.087 107 D HN 0.324 nan 8.370 nan 0.000 0.510 108 F N 1.799 121.758 119.950 0.014 0.000 2.558 108 F HA 0.112 4.669 4.527 0.050 0.000 0.298 108 F C 1.517 177.329 175.800 0.021 0.000 1.119 108 F CA 0.098 58.110 58.000 0.020 0.000 1.451 108 F CB -0.498 38.513 39.000 0.019 0.000 1.091 108 F HN 0.175 nan 8.300 nan 0.000 0.563 109 I N 0.301 120.489 120.570 -0.637 0.000 2.233 109 I HA -0.176 4.024 4.170 0.050 0.000 0.243 109 I C 2.464 178.476 176.117 -0.176 0.000 1.093 109 I CA 0.898 61.920 61.300 -0.463 0.000 1.380 109 I CB -0.506 37.165 38.000 -0.548 0.000 1.067 109 I HN 0.275 nan 8.210 nan 0.000 0.413 110 L N 1.221 122.357 121.223 -0.145 0.000 1.989 110 L HA -0.221 4.149 4.340 0.050 0.000 0.211 110 L C 2.632 179.495 176.870 -0.012 0.000 1.071 110 L CA 1.934 56.732 54.840 -0.070 0.000 0.749 110 L CB -0.600 41.423 42.059 -0.059 0.000 0.890 110 L HN 0.061 nan 8.230 nan 0.000 0.431 111 R N -0.681 119.831 120.500 0.020 0.000 2.092 111 R HA -0.166 4.204 4.340 0.050 0.000 0.231 111 R C 2.317 178.673 176.300 0.093 0.000 1.119 111 R CA 1.448 57.588 56.100 0.066 0.000 0.970 111 R CB -0.363 29.991 30.300 0.090 0.000 0.864 111 R HN 0.587 nan 8.270 nan 0.000 0.440 112 E N 1.154 121.414 120.200 0.099 0.000 2.058 112 E HA -0.251 4.129 4.350 0.050 0.000 0.194 112 E C 1.940 178.616 176.600 0.127 0.000 0.997 112 E CA 1.336 57.811 56.400 0.125 0.000 0.801 112 E CB 0.083 29.861 29.700 0.131 0.000 0.746 112 E HN 0.142 nan 8.360 nan 0.000 0.450 113 K N 0.236 120.680 120.400 0.073 0.000 2.063 113 K HA -0.155 4.195 4.320 0.050 0.000 0.208 113 K C 2.107 178.779 176.600 0.120 0.000 1.048 113 K CA 1.400 57.730 56.287 0.070 0.000 0.928 113 K CB -0.027 32.472 32.500 -0.002 0.000 0.713 113 K HN 0.162 nan 8.250 nan 0.000 0.442 114 I N 1.093 121.717 120.570 0.091 0.000 2.353 114 I HA -0.161 4.039 4.170 0.050 0.000 0.248 114 I C 2.123 178.344 176.117 0.173 0.000 1.119 114 I CA 1.195 62.567 61.300 0.120 0.000 1.417 114 I CB -1.442 36.593 38.000 0.057 0.000 1.078 114 I HN 0.206 nan 8.210 nan 0.000 0.421 115 T N -0.079 114.567 114.554 0.153 0.000 2.684 115 T HA -0.236 4.144 4.350 0.050 0.000 0.267 115 T C 1.966 176.785 174.700 0.198 0.000 1.036 115 T CA 1.553 63.759 62.100 0.177 0.000 1.148 115 T CB -0.447 68.538 68.868 0.196 0.000 0.863 115 T HN 0.341 nan 8.240 nan 0.000 0.436 116 H N -0.106 119.052 119.070 0.147 0.000 2.353 116 H HA -0.056 4.531 4.556 0.051 0.000 0.300 116 H C 2.199 177.579 175.328 0.087 0.000 1.090 116 H CA 1.527 57.648 56.048 0.120 0.000 1.327 116 H CB -0.467 29.348 29.762 0.088 0.000 1.383 116 H HN 0.389 nan 8.280 nan 0.000 0.508 117 F N 2.111 122.121 119.950 0.099 0.000 2.095 117 F HA -0.218 4.341 4.527 0.053 0.000 0.298 117 F C 1.970 177.716 175.800 -0.091 0.000 1.104 117 F CA 1.879 59.886 58.000 0.011 0.000 1.232 117 F CB -0.347 38.653 39.000 -0.001 0.000 0.987 117 F HN 0.075 nan 8.300 nan 0.000 0.475 118 D N -1.291 119.015 120.400 -0.157 0.000 2.309 118 D HA -0.130 4.540 4.640 0.050 0.000 0.212 118 D C 1.177 177.076 176.300 -0.669 0.000 0.968 118 D CA 1.129 54.872 54.000 -0.428 0.000 0.882 118 D CB -0.349 40.175 40.800 -0.461 0.000 0.918 118 D HN 0.494 nan 8.370 nan 0.000 0.503 119 H N -0.489 118.465 119.070 -0.194 0.000 2.567 119 H HA 0.220 4.806 4.556 0.049 0.000 0.267 119 H C 1.025 176.199 175.328 -0.256 0.000 1.148 119 H CA -0.124 55.808 56.048 -0.194 0.000 1.031 119 H CB 0.499 30.164 29.762 -0.162 0.000 1.691 119 H HN 0.256 nan 8.280 nan 0.000 0.588 120 E N 0.713 120.757 120.200 -0.260 0.000 2.153 120 E HA -0.065 4.315 4.350 0.050 0.000 0.194 120 E C 0.507 176.961 176.600 -0.242 0.000 0.988 120 E CA 0.700 56.921 56.400 -0.298 0.000 0.811 120 E CB 0.412 29.909 29.700 -0.338 0.000 0.746 120 E HN 0.162 nan 8.360 nan 0.000 0.466 121 R N 1.117 121.533 120.500 -0.140 0.000 2.404 121 R HA 0.378 4.749 4.340 0.050 0.000 0.291 121 R C 0.386 176.727 176.300 0.067 0.000 1.025 121 R CA -0.324 55.764 56.100 -0.020 0.000 0.991 121 R CB 0.888 31.168 30.300 -0.034 0.000 1.053 121 R HN 0.154 nan 8.270 nan 0.000 0.479 122 I N -0.923 119.749 120.570 0.171 0.000 2.910 122 I HA 0.599 4.799 4.170 0.050 0.000 0.310 122 I C -2.239 173.943 176.117 0.109 0.000 1.043 122 I CA -2.872 58.518 61.300 0.150 0.000 1.053 122 I CB 1.849 39.974 38.000 0.208 0.000 1.242 122 I HN 0.248 nan 8.210 nan 0.000 0.452 123 P HA 0.113 nan 4.420 nan 0.000 0.269 123 P C -1.000 176.334 177.300 0.057 0.000 1.209 123 P CA -0.110 63.021 63.100 0.052 0.000 0.776 123 P CB 0.426 32.146 31.700 0.034 0.000 0.876 124 E N 2.291 122.526 120.200 0.058 0.000 2.374 124 E HA 0.194 4.574 4.350 0.050 0.000 0.260 124 E C -0.477 176.152 176.600 0.048 0.000 1.101 124 E CA -0.844 55.595 56.400 0.065 0.000 0.907 124 E CB 0.601 30.345 29.700 0.074 0.000 1.014 124 E HN 0.243 nan 8.360 nan 0.000 0.427 125 R N 1.076 121.610 120.500 0.056 0.000 2.638 125 R HA -0.044 4.326 4.340 0.050 0.000 0.268 125 R C 1.220 177.556 176.300 0.061 0.000 1.006 125 R CA -0.349 55.782 56.100 0.052 0.000 1.088 125 R CB 0.211 30.561 30.300 0.084 0.000 0.950 125 R HN 0.584 nan 8.270 nan 0.000 0.419 126 I N 1.991 122.591 120.570 0.050 0.000 2.226 126 I HA -0.134 4.066 4.170 0.050 0.000 0.245 126 I C 1.222 177.392 176.117 0.089 0.000 1.100 126 I CA 1.491 62.828 61.300 0.062 0.000 1.374 126 I CB -1.037 37.003 38.000 0.067 0.000 1.057 126 I HN 0.411 nan 8.210 nan 0.000 0.413 127 V N -3.386 116.615 119.914 0.144 0.000 3.102 127 V HA 0.518 4.668 4.120 0.050 0.000 0.312 127 V C 0.404 176.668 176.094 0.282 0.000 1.135 127 V CA -0.850 61.561 62.300 0.186 0.000 1.022 127 V CB 1.810 33.809 31.823 0.294 0.000 1.056 127 V HN 0.418 nan 8.190 nan 0.000 0.436 128 H N 0.250 119.384 119.070 0.107 0.000 2.862 128 H HA -0.216 4.367 4.556 0.045 0.000 0.290 128 H C 1.518 176.894 175.328 0.081 0.000 1.211 128 H CA 0.797 56.902 56.048 0.095 0.000 1.140 128 H CB -1.217 28.591 29.762 0.076 0.000 1.341 128 H HN 1.162 nan 8.280 nan 0.000 0.392 129 A N 0.714 123.624 122.820 0.151 0.000 2.015 129 A HA -0.087 4.263 4.320 0.050 0.000 0.219 129 A C 1.667 179.342 177.584 0.151 0.000 1.163 129 A CA 1.232 53.348 52.037 0.132 0.000 0.646 129 A CB -0.056 19.000 19.000 0.093 0.000 0.806 129 A HN 0.270 nan 8.150 nan 0.000 0.448 130 R N 0.096 120.687 120.500 0.150 0.000 2.202 130 R HA 0.524 4.894 4.340 0.050 0.000 0.334 130 R C -0.124 176.304 176.300 0.213 0.000 1.036 130 R CA 0.713 56.921 56.100 0.180 0.000 0.878 130 R CB 0.408 30.799 30.300 0.151 0.000 1.067 130 R HN 0.311 nan 8.270 nan 0.000 0.457 131 G N 0.837 109.789 108.800 0.254 0.000 2.646 131 G HA2 0.520 4.511 3.960 0.050 0.000 0.291 131 G HA3 0.520 4.511 3.960 0.050 0.000 0.291 131 G C -1.652 173.409 174.900 0.267 0.000 1.445 131 G CA -0.619 44.600 45.100 0.198 0.000 0.814 131 G HN 0.514 nan 8.290 nan 0.000 0.495 132 S N -1.124 114.678 115.700 0.169 0.000 2.548 132 S HA 0.888 5.388 4.470 0.050 0.000 0.276 132 S C -0.262 174.350 174.600 0.021 0.000 1.129 132 S CA -0.148 58.206 58.200 0.257 0.000 0.931 132 S CB 1.784 65.248 63.200 0.440 0.000 1.068 132 S HN 1.669 nan 8.310 nan 0.000 0.480 133 A N 1.423 124.222 122.820 -0.035 0.000 2.498 133 A HA 1.025 5.375 4.320 0.050 0.000 0.298 133 A C -0.932 176.445 177.584 -0.346 0.000 1.075 133 A CA -0.726 51.060 52.037 -0.418 0.000 0.714 133 A CB 1.635 20.253 19.000 -0.637 0.000 1.299 133 A HN 1.392 nan 8.150 nan 0.000 0.407 134 A N 0.754 123.213 122.820 -0.601 0.000 2.606 134 A HA 0.724 5.074 4.320 0.050 0.000 0.293 134 A C -1.018 176.357 177.584 -0.348 0.000 1.082 134 A CA -0.659 51.192 52.037 -0.309 0.000 0.685 134 A CB 0.762 19.670 19.000 -0.153 0.000 1.284 134 A HN 0.883 nan 8.150 nan 0.000 0.408 135 H N -0.219 118.876 119.070 0.043 0.000 2.505 135 H HA 0.651 5.238 4.556 0.052 0.000 0.351 135 H C 0.676 176.000 175.328 -0.007 0.000 1.151 135 H CA 1.022 57.144 56.048 0.123 0.000 1.339 135 H CB 1.758 31.590 29.762 0.115 0.000 1.483 135 H HN 1.119 nan 8.280 nan 0.000 0.558 136 G N 0.606 109.503 108.800 0.162 0.000 2.510 136 G HA2 0.367 4.357 3.960 0.050 0.000 0.277 136 G HA3 0.367 4.357 3.960 0.050 0.000 0.277 136 G C -1.991 173.048 174.900 0.231 0.000 1.223 136 G CA -0.615 44.542 45.100 0.096 0.000 0.887 136 G HN 0.638 nan 8.290 nan 0.000 0.485 137 Y N -1.899 118.437 120.300 0.059 0.000 2.638 137 Y HA 0.831 5.411 4.550 0.050 0.000 0.335 137 Y C -1.769 174.273 175.900 0.235 0.000 1.155 137 Y CA -1.874 56.309 58.100 0.139 0.000 1.046 137 Y CB 1.904 40.424 38.460 0.099 0.000 1.303 137 Y HN 0.787 nan 8.280 nan 0.000 0.460 138 F N 1.999 122.100 119.950 0.251 0.000 2.563 138 F HA 0.698 5.257 4.527 0.053 0.000 0.316 138 F C -1.189 174.830 175.800 0.365 0.000 1.076 138 F CA -0.606 57.556 58.000 0.270 0.000 0.921 138 F CB 2.376 41.667 39.000 0.485 0.000 1.209 138 F HN 0.779 nan 8.300 nan 0.000 0.462 139 Q N 6.665 125.977 119.800 -0.814 0.000 2.284 139 Q HA 0.474 4.844 4.340 0.050 0.000 0.269 139 Q C -2.874 172.580 176.000 -0.909 0.000 1.026 139 Q CA -2.394 53.098 55.803 -0.519 0.000 0.831 139 Q CB 2.931 31.634 28.738 -0.060 0.000 1.322 139 Q HN 0.329 nan 8.270 nan 0.000 0.419 140 P HA 0.019 nan 4.420 nan 0.000 0.274 140 P C -0.482 176.754 177.300 -0.106 0.000 1.237 140 P CA 0.214 63.114 63.100 -0.333 0.000 0.793 140 P CB 0.441 32.105 31.700 -0.061 0.000 0.977 141 Y N 0.398 120.643 120.300 -0.091 0.000 2.457 141 Y HA -0.032 4.549 4.550 0.051 0.000 0.292 141 Y C 1.376 177.254 175.900 -0.036 0.000 1.125 141 Y CA 0.192 58.261 58.100 -0.053 0.000 1.254 141 Y CB 0.331 38.766 38.460 -0.042 0.000 1.012 141 Y HN 0.368 nan 8.280 nan 0.000 0.555 142 K N -1.169 119.304 120.400 0.121 0.000 2.642 142 K HA 0.266 4.616 4.320 0.050 0.000 0.290 142 K C -1.154 175.459 176.600 0.023 0.000 1.006 142 K CA -0.856 55.469 56.287 0.062 0.000 0.869 142 K CB 1.278 33.813 32.500 0.059 0.000 1.499 142 K HN -0.257 nan 8.250 nan 0.000 0.403 143 S N 1.047 116.756 115.700 0.014 0.000 2.533 143 S HA 0.178 4.678 4.470 0.050 0.000 0.282 143 S C 0.453 175.046 174.600 -0.010 0.000 1.304 143 S CA -0.635 57.564 58.200 -0.002 0.000 1.063 143 S CB -0.174 63.027 63.200 0.001 0.000 0.881 143 S HN 0.526 nan 8.310 nan 0.000 0.493 144 L N 4.774 125.980 121.223 -0.028 0.000 2.791 144 L HA 0.156 4.527 4.340 0.050 0.000 0.239 144 L C 1.721 178.576 176.870 -0.026 0.000 1.203 144 L CA -0.185 54.644 54.840 -0.020 0.000 1.002 144 L CB -0.166 41.885 42.059 -0.012 0.000 1.295 144 L HN 0.614 nan 8.230 nan 0.000 0.504 145 S N -0.148 115.535 115.700 -0.028 0.000 2.440 145 S HA -0.165 4.335 4.470 0.050 0.000 0.238 145 S C 1.294 175.877 174.600 -0.028 0.000 1.010 145 S CA 1.096 59.277 58.200 -0.032 0.000 0.972 145 S CB -0.125 63.062 63.200 -0.023 0.000 0.774 145 S HN 0.483 nan 8.310 nan 0.000 0.501 146 D N 1.628 122.017 120.400 -0.018 0.000 2.218 146 D HA -0.041 4.629 4.640 0.050 0.000 0.204 146 D C 1.737 178.021 176.300 -0.027 0.000 0.976 146 D CA 0.952 54.942 54.000 -0.018 0.000 0.853 146 D CB -0.124 40.671 40.800 -0.008 0.000 0.939 146 D HN 0.658 nan 8.370 nan 0.000 0.481 147 I N -4.352 116.202 120.570 -0.026 0.000 4.312 147 I HA 0.223 4.423 4.170 0.050 0.000 0.324 147 I C 0.468 176.543 176.117 -0.070 0.000 1.298 147 I CA -0.006 61.270 61.300 -0.040 0.000 1.231 147 I CB 1.150 39.148 38.000 -0.005 0.000 1.152 147 I HN -0.252 nan 8.210 nan 0.000 0.421 148 T N 1.591 116.105 114.554 -0.066 0.000 2.956 148 T HA 0.326 4.706 4.350 0.050 0.000 0.312 148 T C -0.134 174.509 174.700 -0.095 0.000 1.151 148 T CA -0.713 61.327 62.100 -0.101 0.000 1.024 148 T CB 1.774 70.570 68.868 -0.120 0.000 1.140 148 T HN 0.426 nan 8.240 nan 0.000 0.473 149 K N 2.463 122.805 120.400 -0.097 0.000 2.437 149 K HA 0.582 4.932 4.320 0.050 0.000 0.198 149 K C 0.695 177.250 176.600 -0.075 0.000 1.024 149 K CA -0.364 55.878 56.287 -0.075 0.000 1.148 149 K CB 0.233 32.696 32.500 -0.063 0.000 0.860 149 K HN 0.490 nan 8.250 nan 0.000 0.515 150 A N 2.098 124.847 122.820 -0.118 0.000 2.545 150 A HA -0.058 4.292 4.320 0.050 0.000 0.253 150 A C 0.594 178.128 177.584 -0.083 0.000 1.074 150 A CA 0.102 52.074 52.037 -0.109 0.000 0.760 150 A CB 0.036 18.896 19.000 -0.234 0.000 1.005 150 A HN 0.511 nan 8.150 nan 0.000 0.506 151 D N 2.239 122.666 120.400 0.045 0.000 2.144 151 D HA -0.231 4.439 4.640 0.050 0.000 0.199 151 D C 1.347 177.714 176.300 0.111 0.000 0.984 151 D CA 2.159 56.203 54.000 0.074 0.000 0.834 151 D CB -0.243 40.623 40.800 0.111 0.000 0.955 151 D HN 0.742 nan 8.370 nan 0.000 0.465 152 F N -0.538 119.436 119.950 0.040 0.000 2.451 152 F HA 0.122 4.680 4.527 0.051 0.000 0.299 152 F C 1.102 176.997 175.800 0.159 0.000 1.101 152 F CA 0.442 58.509 58.000 0.111 0.000 1.436 152 F CB -0.264 38.804 39.000 0.114 0.000 1.074 152 F HN -0.055 nan 8.300 nan 0.000 0.553 153 L N 0.883 121.800 121.223 -0.510 0.000 2.818 153 L HA 0.189 4.559 4.340 0.050 0.000 0.243 153 L C 1.906 178.691 176.870 -0.141 0.000 1.185 153 L CA 0.325 54.941 54.840 -0.373 0.000 0.988 153 L CB -0.194 41.528 42.059 -0.561 0.000 1.292 153 L HN 0.323 nan 8.230 nan 0.000 0.519 154 S N -2.642 113.018 115.700 -0.066 0.000 2.478 154 S HA 0.045 4.545 4.470 0.050 0.000 0.222 154 S C 0.536 175.136 174.600 -0.000 0.000 1.008 154 S CA -0.111 58.072 58.200 -0.028 0.000 0.928 154 S CB 0.333 63.529 63.200 -0.007 0.000 0.781 154 S HN 0.373 nan 8.310 nan 0.000 0.518 155 D N 0.542 120.953 120.400 0.019 0.000 2.927 155 D HA 0.251 4.921 4.640 0.050 0.000 0.219 155 D C -2.571 173.752 176.300 0.039 0.000 1.248 155 D CA -1.618 52.399 54.000 0.029 0.000 0.861 155 D CB 2.370 43.191 40.800 0.036 0.000 1.677 155 D HN -0.162 nan 8.370 nan 0.000 0.511 156 P HA -0.113 nan 4.420 nan 0.000 0.223 156 P C 0.767 178.095 177.300 0.048 0.000 1.144 156 P CA 0.967 64.092 63.100 0.041 0.000 0.783 156 P CB -0.199 31.533 31.700 0.053 0.000 0.771 157 N N -0.835 117.894 118.700 0.049 0.000 2.461 157 N HA -0.041 4.729 4.740 0.050 0.000 0.188 157 N C 0.632 176.185 175.510 0.072 0.000 1.134 157 N CA -0.315 52.766 53.050 0.052 0.000 0.878 157 N CB -0.227 38.284 38.487 0.041 0.000 0.972 157 N HN -0.029 nan 8.380 nan 0.000 0.456 158 K N 1.579 122.035 120.400 0.093 0.000 2.310 158 K HA 0.268 4.618 4.320 0.050 0.000 0.290 158 K C -0.903 175.810 176.600 0.188 0.000 1.077 158 K CA -0.194 56.178 56.287 0.142 0.000 0.922 158 K CB 0.615 33.217 32.500 0.170 0.000 1.057 158 K HN 0.179 nan 8.250 nan 0.000 0.479 159 I N 3.576 124.254 120.570 0.180 0.000 2.321 159 I HA 0.160 4.361 4.170 0.050 0.000 0.291 159 I C -0.223 176.071 176.117 0.295 0.000 0.998 159 I CA -0.450 60.985 61.300 0.225 0.000 1.227 159 I CB 1.921 39.990 38.000 0.115 0.000 1.368 159 I HN 0.489 nan 8.210 nan 0.000 0.466 160 T N 7.514 122.332 114.554 0.440 0.000 2.772 160 T HA 0.355 4.736 4.350 0.050 0.000 0.288 160 T C -2.459 172.501 174.700 0.433 0.000 0.994 160 T CA -1.407 60.969 62.100 0.461 0.000 0.951 160 T CB 1.401 70.646 68.868 0.628 0.000 0.933 160 T HN 0.227 nan 8.240 nan 0.000 0.447 161 P HA 0.269 nan 4.420 nan 0.000 0.269 161 P C -0.738 176.799 177.300 0.395 0.000 1.215 161 P CA -0.448 62.839 63.100 0.313 0.000 0.780 161 P CB 0.531 32.333 31.700 0.169 0.000 0.898 162 V N -0.535 119.559 119.914 0.300 0.000 3.007 162 V HA 0.714 4.864 4.120 0.050 0.000 0.311 162 V C -1.370 174.883 176.094 0.266 0.000 1.120 162 V CA -0.931 61.452 62.300 0.138 0.000 0.980 162 V CB 2.162 33.839 31.823 -0.245 0.000 1.033 162 V HN 0.314 nan 8.190 nan 0.000 0.429 163 F N 2.943 122.891 119.950 -0.003 0.000 2.493 163 F HA 0.849 5.404 4.527 0.046 0.000 0.329 163 F C -0.725 174.976 175.800 -0.165 0.000 1.126 163 F CA -0.889 57.038 58.000 -0.123 0.000 0.937 163 F CB 1.920 40.877 39.000 -0.071 0.000 1.146 163 F HN 0.532 nan 8.300 nan 0.000 0.442 164 V N 6.745 126.184 119.914 -0.791 0.000 2.555 164 V HA 0.564 4.714 4.120 0.050 0.000 0.302 164 V C -0.619 174.791 176.094 -1.141 0.000 1.038 164 V CA -0.853 60.911 62.300 -0.893 0.000 0.887 164 V CB 1.931 33.157 31.823 -0.996 0.000 0.991 164 V HN 0.731 nan 8.190 nan 0.000 0.434 165 R N 3.572 123.396 120.500 -1.125 0.000 2.480 165 R HA 0.606 4.976 4.340 0.050 0.000 0.306 165 R C -1.596 174.086 176.300 -1.029 0.000 0.958 165 R CA -0.431 55.101 56.100 -0.947 0.000 0.861 165 R CB 1.138 31.056 30.300 -0.637 0.000 1.171 165 R HN 0.551 nan 8.270 nan 0.000 0.445 166 F N 1.849 121.381 119.950 -0.696 0.000 2.399 166 F HA 0.517 5.074 4.527 0.051 0.000 0.328 166 F C 0.492 175.938 175.800 -0.590 0.000 1.084 166 F CA -0.214 57.263 58.000 -0.872 0.000 1.053 166 F CB 2.108 40.077 39.000 -1.719 0.000 1.209 166 F HN 0.596 nan 8.300 nan 0.000 0.502 167 S N -1.052 114.577 115.700 -0.119 0.000 2.588 167 S HA 0.586 5.086 4.470 0.050 0.000 0.269 167 S C -0.569 174.177 174.600 0.242 0.000 1.157 167 S CA -0.864 57.410 58.200 0.123 0.000 0.824 167 S CB 1.255 64.567 63.200 0.187 0.000 1.126 167 S HN 0.754 nan 8.310 nan 0.000 0.464 168 T N -1.120 113.576 114.554 0.235 0.000 2.865 168 T HA 0.660 5.040 4.350 0.050 0.000 0.302 168 T C 0.889 175.568 174.700 -0.034 0.000 1.078 168 T CA 0.081 62.277 62.100 0.159 0.000 0.942 168 T CB 0.122 69.084 68.868 0.156 0.000 1.387 168 T HN 0.723 nan 8.240 nan 0.000 0.557 169 V N -0.236 119.613 119.914 -0.108 0.000 3.029 169 V HA 0.137 4.287 4.120 0.050 0.000 0.230 169 V C 2.733 178.751 176.094 -0.127 0.000 1.254 169 V CA 0.259 62.367 62.300 -0.321 0.000 1.276 169 V CB -0.373 31.323 31.823 -0.212 0.000 1.080 169 V HN 0.844 nan 8.190 nan 0.000 0.495 170 Q N 1.191 120.955 119.800 -0.061 0.000 2.062 170 Q HA 0.068 4.438 4.340 0.050 0.000 0.196 170 Q C 1.269 177.247 176.000 -0.037 0.000 0.967 170 Q CA 1.407 57.174 55.803 -0.061 0.000 0.832 170 Q CB -0.200 28.487 28.738 -0.085 0.000 0.899 170 Q HN 0.589 nan 8.270 nan 0.000 0.442 171 G N -0.135 108.657 108.800 -0.012 0.000 2.539 171 G HA2 0.402 4.392 3.960 0.050 0.000 0.258 171 G HA3 0.402 4.392 3.960 0.050 0.000 0.258 171 G C 0.143 175.052 174.900 0.015 0.000 1.202 171 G CA 0.050 45.147 45.100 -0.005 0.000 0.851 171 G HN 0.332 nan 8.290 nan 0.000 0.556 172 G N -0.953 107.851 108.800 0.007 0.000 2.683 172 G HA2 0.454 4.444 3.960 0.050 0.000 0.260 172 G HA3 0.454 4.444 3.960 0.050 0.000 0.260 172 G C 1.382 176.314 174.900 0.053 0.000 1.238 172 G CA 0.459 45.574 45.100 0.025 0.000 0.934 172 G HN 1.095 nan 8.290 nan 0.000 0.534 173 A N -0.604 122.259 122.820 0.071 0.000 2.019 173 A HA 0.105 4.456 4.320 0.050 0.000 0.219 173 A C 2.251 179.878 177.584 0.071 0.000 1.164 173 A CA 2.016 54.115 52.037 0.103 0.000 0.644 173 A CB -0.424 18.653 19.000 0.129 0.000 0.805 173 A HN 1.161 nan 8.150 nan 0.000 0.449 174 G N -0.156 108.666 108.800 0.037 0.000 3.371 174 G HA2 0.339 4.329 3.960 0.050 0.000 0.248 174 G HA3 0.339 4.329 3.960 0.050 0.000 0.248 174 G C 0.679 175.582 174.900 0.006 0.000 1.161 174 G CA 0.642 45.748 45.100 0.011 0.000 0.796 174 G HN 0.656 nan 8.290 nan 0.000 0.539 175 S N -0.274 115.437 115.700 0.020 0.000 2.661 175 S HA 0.758 5.258 4.470 0.050 0.000 0.265 175 S C 0.432 175.047 174.600 0.024 0.000 1.225 175 S CA -0.117 58.090 58.200 0.012 0.000 0.986 175 S CB 1.587 64.794 63.200 0.013 0.000 1.008 175 S HN 0.534 nan 8.310 nan 0.000 0.565 176 A N -0.015 122.814 122.820 0.015 0.000 2.286 176 A HA 0.491 4.841 4.320 0.050 0.000 0.286 176 A C 0.488 178.092 177.584 0.033 0.000 1.097 176 A CA -0.614 51.428 52.037 0.008 0.000 0.821 176 A CB 0.042 19.029 19.000 -0.022 0.000 1.076 176 A HN 0.844 nan 8.150 nan 0.000 0.490 177 D N 0.292 120.699 120.400 0.011 0.000 2.149 177 D HA -0.047 4.623 4.640 0.050 0.000 0.206 177 D C 1.564 177.833 176.300 -0.051 0.000 0.967 177 D CA 2.233 56.250 54.000 0.029 0.000 0.848 177 D CB -0.248 40.527 40.800 -0.042 0.000 0.998 177 D HN 0.663 nan 8.370 nan 0.000 0.474 178 T N 0.114 114.557 114.554 -0.186 0.000 3.418 178 T HA 0.291 4.671 4.350 0.050 0.000 0.239 178 T C 0.789 175.466 174.700 -0.039 0.000 0.905 178 T CA -0.574 61.413 62.100 -0.189 0.000 0.929 178 T CB -1.037 67.645 68.868 -0.309 0.000 1.121 178 T HN -0.091 nan 8.240 nan 0.000 0.608 179 V N -1.302 118.645 119.914 0.054 0.000 3.264 179 V HA 0.458 4.608 4.120 0.050 0.000 0.304 179 V C 0.731 176.966 176.094 0.235 0.000 1.086 179 V CA -1.493 60.888 62.300 0.134 0.000 1.090 179 V CB 0.522 32.414 31.823 0.115 0.000 1.112 179 V HN 0.568 nan 8.190 nan 0.000 0.472 180 R N 1.620 122.323 120.500 0.338 0.000 2.216 180 R HA 0.457 4.827 4.340 0.050 0.000 0.332 180 R C -1.094 175.286 176.300 0.133 0.000 1.056 180 R CA -0.045 56.201 56.100 0.242 0.000 0.901 180 R CB 0.101 30.483 30.300 0.137 0.000 1.039 180 R HN 1.045 nan 8.270 nan 0.000 0.456 181 D N 3.449 123.938 120.400 0.148 0.000 2.694 181 D HA 0.181 4.852 4.640 0.050 0.000 0.260 181 D C -0.537 175.873 176.300 0.184 0.000 1.250 181 D CA -0.612 53.466 54.000 0.130 0.000 0.763 181 D CB 1.274 42.142 40.800 0.114 0.000 1.311 181 D HN 0.236 nan 8.370 nan 0.000 0.420 182 I N 1.476 122.170 120.570 0.208 0.000 2.836 182 I HA 0.199 4.399 4.170 0.050 0.000 0.285 182 I C 0.871 177.124 176.117 0.227 0.000 1.174 182 I CA 0.011 61.447 61.300 0.226 0.000 1.405 182 I CB 0.022 38.191 38.000 0.281 0.000 1.385 182 I HN 0.235 nan 8.210 nan 0.000 0.594 183 R N 2.883 123.540 120.500 0.262 0.000 2.589 183 R HA 0.545 4.915 4.340 0.050 0.000 0.293 183 R C -0.038 176.454 176.300 0.320 0.000 0.963 183 R CA -0.759 55.515 56.100 0.289 0.000 0.905 183 R CB 1.462 31.954 30.300 0.321 0.000 1.144 183 R HN 0.800 nan 8.270 nan 0.000 0.459 184 G N 0.980 109.993 108.800 0.355 0.000 2.476 184 G HA2 0.438 4.428 3.960 0.050 0.000 0.269 184 G HA3 0.438 4.428 3.960 0.050 0.000 0.269 184 G C -1.217 173.780 174.900 0.161 0.000 1.195 184 G CA -0.016 45.258 45.100 0.291 0.000 0.843 184 G HN 0.360 nan 8.290 nan 0.000 0.545 185 F N 1.682 121.540 119.950 -0.153 0.000 3.034 185 F HA 0.632 5.188 4.527 0.048 0.000 0.371 185 F C -0.337 175.171 175.800 -0.487 0.000 1.233 185 F CA -1.905 55.900 58.000 -0.325 0.000 1.134 185 F CB 1.025 39.965 39.000 -0.100 0.000 1.495 185 F HN 0.675 nan 8.300 nan 0.000 0.563 186 A N 3.565 126.108 122.820 -0.460 0.000 2.303 186 A HA 0.787 5.137 4.320 0.050 0.000 0.320 186 A C -0.649 176.499 177.584 -0.728 0.000 1.192 186 A CA -0.455 51.153 52.037 -0.716 0.000 0.821 186 A CB 0.871 19.120 19.000 -1.251 0.000 1.188 186 A HN 0.555 nan 8.150 nan 0.000 0.492 187 T N 2.327 116.617 114.554 -0.440 0.000 2.812 187 T HA 0.389 4.769 4.350 0.050 0.000 0.282 187 T C -0.335 174.184 174.700 -0.303 0.000 0.990 187 T CA -0.487 61.353 62.100 -0.434 0.000 0.960 187 T CB 1.093 69.599 68.868 -0.604 0.000 0.948 187 T HN 0.634 nan 8.240 nan 0.000 0.438 188 K N 3.577 123.880 120.400 -0.162 0.000 2.264 188 K HA 0.427 4.777 4.320 0.050 0.000 0.277 188 K C -1.260 175.022 176.600 -0.531 0.000 1.067 188 K CA -0.576 55.511 56.287 -0.333 0.000 0.900 188 K CB 0.315 32.544 32.500 -0.451 0.000 1.124 188 K HN 0.403 nan 8.250 nan 0.000 0.469 189 F N 4.278 123.936 119.950 -0.486 0.000 2.391 189 F HA 0.227 4.782 4.527 0.047 0.000 0.359 189 F C -0.371 175.232 175.800 -0.328 0.000 1.122 189 F CA -0.591 57.188 58.000 -0.369 0.000 1.120 189 F CB 0.675 39.350 39.000 -0.540 0.000 1.142 189 F HN 0.448 nan 8.300 nan 0.000 0.483 190 Y N 1.927 122.288 120.300 0.102 0.000 2.632 190 Y HA 0.204 4.786 4.550 0.053 0.000 0.336 190 Y C 1.056 177.015 175.900 0.098 0.000 1.237 190 Y CA -0.850 57.292 58.100 0.070 0.000 1.595 190 Y CB -0.243 38.248 38.460 0.052 0.000 1.508 190 Y HN 0.542 nan 8.280 nan 0.000 0.480 191 T N -2.522 112.132 114.554 0.168 0.000 2.847 191 T HA 0.161 4.541 4.350 0.050 0.000 0.279 191 T C 0.986 175.785 174.700 0.166 0.000 0.984 191 T CA -0.708 61.496 62.100 0.173 0.000 0.988 191 T CB 1.074 70.023 68.868 0.134 0.000 1.040 191 T HN 0.639 nan 8.240 nan 0.000 0.528 192 E N -0.018 120.284 120.200 0.170 0.000 2.478 192 E HA -0.036 4.344 4.350 0.050 0.000 0.198 192 E C 0.983 177.653 176.600 0.116 0.000 1.046 192 E CA 0.649 57.130 56.400 0.134 0.000 0.870 192 E CB 0.116 29.890 29.700 0.124 0.000 0.818 192 E HN 0.717 nan 8.360 nan 0.000 0.527 193 E N 0.120 120.392 120.200 0.120 0.000 2.651 193 E HA 0.259 4.639 4.350 0.050 0.000 0.208 193 E C 0.025 176.677 176.600 0.086 0.000 0.997 193 E CA -0.258 56.203 56.400 0.102 0.000 1.020 193 E CB 1.324 31.086 29.700 0.104 0.000 1.052 193 E HN 0.177 nan 8.360 nan 0.000 0.465 194 G N 1.251 110.098 108.800 0.078 0.000 2.428 194 G HA2 -0.107 3.883 3.960 0.050 0.000 0.681 194 G HA3 -0.107 3.883 3.960 0.050 0.000 0.681 194 G C -0.744 174.172 174.900 0.027 0.000 1.340 194 G CA -1.136 43.987 45.100 0.040 0.000 0.915 194 G HN 0.036 nan 8.290 nan 0.000 0.645 195 I N 0.892 121.442 120.570 -0.032 0.000 2.668 195 I HA 0.248 4.448 4.170 0.050 0.000 0.285 195 I C 0.208 176.345 176.117 0.034 0.000 1.168 195 I CA 0.328 61.582 61.300 -0.076 0.000 1.424 195 I CB 0.364 38.251 38.000 -0.188 0.000 1.377 195 I HN 0.455 nan 8.210 nan 0.000 0.560 196 F N 7.063 126.918 119.950 -0.158 0.000 2.427 196 F HA 0.435 4.991 4.527 0.048 0.000 0.348 196 F C -0.504 175.266 175.800 -0.050 0.000 1.125 196 F CA -1.324 56.585 58.000 -0.151 0.000 0.989 196 F CB 0.742 39.514 39.000 -0.381 0.000 1.165 196 F HN 0.346 nan 8.300 nan 0.000 0.442 197 D N 6.671 126.944 120.400 -0.212 0.000 2.274 197 D HA 0.238 4.908 4.640 0.050 0.000 0.239 197 D C -0.893 174.988 176.300 -0.698 0.000 1.104 197 D CA -0.103 53.689 54.000 -0.348 0.000 0.840 197 D CB 2.040 42.807 40.800 -0.055 0.000 1.100 197 D HN 0.477 nan 8.370 nan 0.000 0.477 198 L N 3.967 124.694 121.223 -0.826 0.000 2.264 198 L HA 0.274 4.645 4.340 0.050 0.000 0.287 198 L C -1.040 175.602 176.870 -0.381 0.000 1.039 198 L CA -0.607 53.822 54.840 -0.683 0.000 0.829 198 L CB 1.118 42.763 42.059 -0.690 0.000 1.211 198 L HN 0.081 nan 8.230 nan 0.000 0.427 199 V N 6.153 125.883 119.914 -0.307 0.000 2.259 199 V HA 0.721 4.871 4.120 0.050 0.000 0.267 199 V C 0.755 176.735 176.094 -0.190 0.000 1.051 199 V CA -0.072 62.054 62.300 -0.289 0.000 0.830 199 V CB 0.354 31.966 31.823 -0.351 0.000 1.080 199 V HN 0.868 nan 8.190 nan 0.000 0.467 200 G N 3.232 111.933 108.800 -0.165 0.000 2.932 200 G HA2 0.685 4.675 3.960 0.050 0.000 0.283 200 G HA3 0.685 4.675 3.960 0.050 0.000 0.283 200 G C -0.938 173.973 174.900 0.018 0.000 1.336 200 G CA -0.588 44.468 45.100 -0.074 0.000 1.056 200 G HN 0.476 nan 8.290 nan 0.000 0.522 201 N N -1.104 117.653 118.700 0.096 0.000 2.761 201 N HA 0.256 5.026 4.740 0.050 0.000 0.283 201 N C 0.280 175.960 175.510 0.283 0.000 1.377 201 N CA -0.751 52.419 53.050 0.201 0.000 0.791 201 N CB 1.401 39.994 38.487 0.176 0.000 1.540 201 N HN 0.523 nan 8.380 nan 0.000 0.539 202 N N -1.354 117.532 118.700 0.310 0.000 2.268 202 N HA 0.007 4.777 4.740 0.050 0.000 0.204 202 N C -0.509 175.246 175.510 0.408 0.000 1.124 202 N CA -0.105 53.182 53.050 0.394 0.000 0.838 202 N CB -0.161 38.541 38.487 0.358 0.000 0.994 202 N HN 0.547 nan 8.380 nan 0.000 0.489 203 T N -3.733 110.883 114.554 0.103 0.000 2.906 203 T HA 0.470 4.850 4.350 0.050 0.000 0.295 203 T C -2.645 171.444 174.700 -1.019 0.000 1.075 203 T CA -1.609 60.106 62.100 -0.642 0.000 1.005 203 T CB 2.906 71.283 68.868 -0.818 0.000 1.136 203 T HN -0.220 nan 8.240 nan 0.000 0.498 204 P HA 0.226 nan 4.420 nan 0.000 0.253 204 P C 0.278 177.073 177.300 -0.841 0.000 1.260 204 P CA -0.003 62.232 63.100 -1.442 0.000 0.800 204 P CB -0.109 30.658 31.700 -1.555 0.000 1.162 205 I N -4.460 115.599 120.570 -0.852 0.000 3.354 205 I HA 0.556 4.756 4.170 0.050 0.000 0.316 205 I C -1.481 174.382 176.117 -0.424 0.000 1.182 205 I CA -1.949 58.998 61.300 -0.587 0.000 0.942 205 I CB 1.421 39.031 38.000 -0.650 0.000 1.299 205 I HN -0.239 nan 8.210 nan 0.000 0.473 206 F N 0.254 119.927 119.950 -0.460 0.000 2.639 206 F HA 0.519 5.081 4.527 0.059 0.000 0.339 206 F C 0.371 175.929 175.800 -0.403 0.000 1.071 206 F CA -0.741 57.018 58.000 -0.403 0.000 0.994 206 F CB 1.950 40.843 39.000 -0.178 0.000 1.341 206 F HN 0.384 nan 8.300 nan 0.000 0.498 207 F N 2.058 121.161 119.950 -1.412 0.000 2.325 207 F HA 0.041 4.596 4.527 0.046 0.000 0.299 207 F C 0.681 176.174 175.800 -0.513 0.000 1.090 207 F CA 0.824 58.208 58.000 -1.027 0.000 1.392 207 F CB -0.080 37.878 39.000 -1.737 0.000 1.053 207 F HN 0.136 nan 8.300 nan 0.000 0.521 208 I N -3.490 117.065 120.570 -0.026 0.000 3.108 208 I HA 0.370 4.570 4.170 0.050 0.000 0.312 208 I C 0.348 176.620 176.117 0.257 0.000 1.095 208 I CA -0.846 60.554 61.300 0.167 0.000 1.000 208 I CB 1.870 40.034 38.000 0.274 0.000 1.229 208 I HN -0.175 nan 8.210 nan 0.000 0.454 209 Q N 0.192 120.138 119.800 0.244 0.000 2.324 209 Q HA 0.148 4.518 4.340 0.050 0.000 0.207 209 Q C -0.351 175.824 176.000 0.291 0.000 0.928 209 Q CA 0.549 56.532 55.803 0.300 0.000 0.890 209 Q CB 0.547 29.529 28.738 0.408 0.000 1.001 209 Q HN 0.648 nan 8.270 nan 0.000 0.517 210 D N -0.979 119.566 120.400 0.242 0.000 2.505 210 D HA 0.303 4.973 4.640 0.050 0.000 0.249 210 D C 0.053 176.477 176.300 0.208 0.000 1.082 210 D CA -0.234 53.877 54.000 0.186 0.000 0.839 210 D CB 1.840 42.724 40.800 0.140 0.000 1.317 210 D HN 0.050 nan 8.370 nan 0.000 0.497 211 A N 3.416 126.328 122.820 0.153 0.000 2.084 211 A HA -0.249 4.101 4.320 0.050 0.000 0.221 211 A C 1.784 179.483 177.584 0.191 0.000 1.161 211 A CA 1.757 53.879 52.037 0.142 0.000 0.653 211 A CB -0.787 18.240 19.000 0.045 0.000 0.802 211 A HN 0.818 nan 8.150 nan 0.000 0.457 212 H N 0.052 119.181 119.070 0.099 0.000 2.422 212 H HA -0.019 4.571 4.556 0.055 0.000 0.298 212 H C 1.585 176.992 175.328 0.133 0.000 1.098 212 H CA 1.920 58.020 56.048 0.087 0.000 1.315 212 H CB 0.040 29.830 29.762 0.047 0.000 1.382 212 H HN 0.419 nan 8.280 nan 0.000 0.523 213 K N -0.539 119.982 120.400 0.201 0.000 2.444 213 K HA -0.044 4.306 4.320 0.050 0.000 0.193 213 K C 1.382 178.121 176.600 0.232 0.000 1.024 213 K CA 0.037 56.444 56.287 0.200 0.000 1.077 213 K CB 0.034 32.707 32.500 0.289 0.000 0.833 213 K HN 0.300 nan 8.250 nan 0.000 0.517 214 F N 2.782 122.782 119.950 0.084 0.000 2.126 214 F HA -0.136 4.405 4.527 0.023 0.000 0.299 214 F C -1.015 174.796 175.800 0.018 0.000 1.096 214 F CA 1.268 59.342 58.000 0.123 0.000 1.255 214 F CB -0.352 38.705 39.000 0.095 0.000 0.997 214 F HN 0.020 nan 8.300 nan 0.000 0.479 215 P HA -0.110 nan 4.420 nan 0.000 0.221 215 P C 0.939 177.906 177.300 -0.556 0.000 1.150 215 P CA 1.507 64.362 63.100 -0.409 0.000 0.800 215 P CB -0.023 31.465 31.700 -0.353 0.000 0.787 216 D N -1.195 119.038 120.400 -0.279 0.000 2.084 216 D HA -0.147 4.523 4.640 0.050 0.000 0.196 216 D C 1.771 177.796 176.300 -0.459 0.000 0.985 216 D CA 1.052 54.931 54.000 -0.201 0.000 0.826 216 D CB -0.859 40.000 40.800 0.097 0.000 0.978 216 D HN 0.151 nan 8.370 nan 0.000 0.456 217 F N 1.780 121.337 119.950 -0.655 0.000 2.095 217 F HA -0.223 4.328 4.527 0.040 0.000 0.298 217 F C 2.244 177.664 175.800 -0.633 0.000 1.104 217 F CA 1.132 58.553 58.000 -0.966 0.000 1.232 217 F CB -0.117 38.537 39.000 -0.577 0.000 0.987 217 F HN -0.246 nan 8.300 nan 0.000 0.475 218 V N 0.084 119.586 119.914 -0.688 0.000 2.427 218 V HA -0.313 3.837 4.120 0.050 0.000 0.248 218 V C 2.236 178.112 176.094 -0.362 0.000 1.051 218 V CA 2.350 64.278 62.300 -0.621 0.000 1.048 218 V CB -0.991 30.474 31.823 -0.596 0.000 0.666 218 V HN 0.464 nan 8.190 nan 0.000 0.456 219 H N -0.176 118.672 119.070 -0.369 0.000 2.387 219 H HA -0.137 4.451 4.556 0.052 0.000 0.299 219 H C 2.351 177.532 175.328 -0.245 0.000 1.090 219 H CA 1.040 56.949 56.048 -0.232 0.000 1.332 219 H CB 0.015 29.689 29.762 -0.147 0.000 1.386 219 H HN 0.483 nan 8.280 nan 0.000 0.516 220 A N 0.463 123.115 122.820 -0.279 0.000 1.908 220 A HA -0.144 4.206 4.320 0.050 0.000 0.218 220 A C 2.504 179.936 177.584 -0.253 0.000 1.181 220 A CA 1.670 53.528 52.037 -0.299 0.000 0.627 220 A CB -0.777 17.940 19.000 -0.472 0.000 0.818 220 A HN 0.316 nan 8.150 nan 0.000 0.445 221 V N -0.415 119.226 119.914 -0.455 0.000 2.878 221 V HA 0.024 4.174 4.120 0.050 0.000 0.250 221 V C 0.905 176.965 176.094 -0.057 0.000 1.075 221 V CA 0.685 62.783 62.300 -0.336 0.000 1.096 221 V CB -0.451 30.971 31.823 -0.668 0.000 0.724 221 V HN 0.338 nan 8.190 nan 0.000 0.467 222 K N 1.040 121.378 120.400 -0.105 0.000 2.149 222 K HA 0.245 4.595 4.320 0.050 0.000 0.245 222 K C -2.318 174.240 176.600 -0.070 0.000 1.024 222 K CA -1.630 54.610 56.287 -0.079 0.000 0.899 222 K CB -0.155 32.293 32.500 -0.087 0.000 1.038 222 K HN 0.157 nan 8.250 nan 0.000 0.496 223 P HA 0.010 nan 4.420 nan 0.000 0.268 223 P C -0.574 176.669 177.300 -0.094 0.000 1.205 223 P CA 0.300 63.267 63.100 -0.222 0.000 0.771 223 P CB 0.405 31.980 31.700 -0.209 0.000 0.858 224 E N 4.753 124.943 120.200 -0.017 0.000 2.398 224 E HA 0.010 4.390 4.350 0.050 0.000 0.263 224 E C -1.287 175.390 176.600 0.129 0.000 1.046 224 E CA -1.321 55.176 56.400 0.161 0.000 0.908 224 E CB 0.153 30.081 29.700 0.380 0.000 0.963 224 E HN 0.417 nan 8.360 nan 0.000 0.431 225 P HA -0.185 nan 4.420 nan 0.000 0.225 225 P C 0.991 178.359 177.300 0.113 0.000 1.156 225 P CA 1.289 64.428 63.100 0.066 0.000 0.787 225 P CB 0.047 31.764 31.700 0.028 0.000 0.802 226 H N -0.672 118.444 119.070 0.076 0.000 2.326 226 H HA -0.089 4.496 4.556 0.049 0.000 0.301 226 H C 1.498 176.931 175.328 0.176 0.000 1.081 226 H CA 1.521 57.602 56.048 0.056 0.000 1.334 226 H CB -1.340 28.386 29.762 -0.060 0.000 1.385 226 H HN 0.308 nan 8.280 nan 0.000 0.504 227 W N 0.055 120.982 121.300 -0.622 0.000 2.871 227 W HA 0.682 5.371 4.660 0.048 0.000 0.340 227 W C 0.453 176.806 176.519 -0.276 0.000 1.058 227 W CA -0.756 56.353 57.345 -0.393 0.000 1.633 227 W CB -0.644 28.551 29.460 -0.442 0.000 1.067 227 W HN 0.451 nan 8.180 nan 0.000 0.554 228 A N 1.271 124.050 122.820 -0.068 0.000 2.800 228 A HA -0.149 4.201 4.320 0.050 0.000 0.292 228 A C -0.457 176.886 177.584 -0.402 0.000 1.474 228 A CA 1.357 53.283 52.037 -0.184 0.000 0.744 228 A CB -2.420 16.504 19.000 -0.127 0.000 1.044 228 A HN 0.445 nan 8.150 nan 0.000 0.489 229 I N 0.477 120.651 120.570 -0.660 0.000 2.647 229 I HA 0.590 4.790 4.170 0.050 0.000 0.295 229 I C -2.461 173.341 176.117 -0.525 0.000 1.078 229 I CA -2.402 58.414 61.300 -0.807 0.000 1.048 229 I CB 2.965 39.987 38.000 -1.630 0.000 1.239 229 I HN 0.214 nan 8.210 nan 0.000 0.421 230 P HA 0.323 nan 4.420 nan 0.000 0.295 230 P C -1.650 175.483 177.300 -0.278 0.000 1.319 230 P CA -0.907 61.969 63.100 -0.373 0.000 0.940 230 P CB 1.821 33.378 31.700 -0.238 0.000 1.192 231 Q N 0.782 120.465 119.800 -0.195 0.000 2.267 231 Q HA 0.487 4.857 4.340 0.050 0.000 0.255 231 Q C 1.098 177.057 176.000 -0.069 0.000 0.923 231 Q CA 1.066 56.791 55.803 -0.129 0.000 0.925 231 Q CB -0.337 28.336 28.738 -0.109 0.000 1.195 231 Q HN 0.821 nan 8.270 nan 0.000 0.417 232 G N 3.325 112.095 108.800 -0.050 0.000 2.198 232 G HA2 -0.286 3.704 3.960 0.050 0.000 0.260 232 G HA3 -0.286 3.704 3.960 0.050 0.000 0.260 232 G C -0.428 174.484 174.900 0.021 0.000 1.025 232 G CA 0.501 45.597 45.100 -0.006 0.000 0.769 232 G HN 0.545 nan 8.290 nan 0.000 0.507 233 Q N -0.972 118.827 119.800 -0.001 0.000 2.315 233 Q HA 0.542 4.913 4.340 0.050 0.000 0.273 233 Q C 0.759 176.770 176.000 0.019 0.000 1.053 233 Q CA -0.124 55.707 55.803 0.047 0.000 0.817 233 Q CB 1.795 30.604 28.738 0.120 0.000 1.326 233 Q HN 0.463 nan 8.270 nan 0.000 0.423 234 S N -0.389 115.214 115.700 -0.162 0.000 2.593 234 S HA 0.175 4.675 4.470 0.050 0.000 0.217 234 S C 0.906 175.430 174.600 -0.125 0.000 0.966 234 S CA 0.027 57.887 58.200 -0.566 0.000 0.914 234 S CB 0.276 62.604 63.200 -1.453 0.000 0.776 234 S HN 0.594 nan 8.310 nan 0.000 0.523 235 A N 2.322 125.280 122.820 0.231 0.000 3.063 235 A HA 0.523 4.873 4.320 0.050 0.000 0.263 235 A C 0.086 177.924 177.584 0.423 0.000 1.736 235 A CA -0.596 51.668 52.037 0.379 0.000 1.408 235 A CB -1.236 17.938 19.000 0.290 0.000 1.108 235 A HN 0.901 nan 8.150 nan 0.000 0.621 236 H N -3.508 115.763 119.070 0.335 0.000 3.037 236 H HA 0.465 5.050 4.556 0.048 0.000 0.336 236 H C -0.284 175.245 175.328 0.335 0.000 1.323 236 H CA -0.765 55.445 56.048 0.270 0.000 1.159 236 H CB 0.274 30.153 29.762 0.195 0.000 1.882 236 H HN 0.076 nan 8.280 nan 0.000 0.535 237 D N 0.437 121.020 120.400 0.304 0.000 2.133 237 D HA -0.222 4.448 4.640 0.050 0.000 0.192 237 D C 2.139 178.511 176.300 0.121 0.000 1.001 237 D CA 3.169 57.282 54.000 0.188 0.000 0.844 237 D CB -0.312 40.574 40.800 0.143 0.000 0.944 237 D HN 0.790 nan 8.370 nan 0.000 0.447 238 T N -1.837 112.784 114.554 0.113 0.000 2.867 238 T HA -0.181 4.199 4.350 0.050 0.000 0.268 238 T C 1.894 176.545 174.700 -0.082 0.000 1.057 238 T CA 0.635 62.765 62.100 0.049 0.000 1.136 238 T CB -0.641 68.301 68.868 0.124 0.000 0.874 238 T HN 0.167 nan 8.240 nan 0.000 0.466 239 F N 0.701 120.365 119.950 -0.477 0.000 2.084 239 F HA 0.114 4.668 4.527 0.046 0.000 0.296 239 F C 1.876 177.413 175.800 -0.437 0.000 1.111 239 F CA 0.627 58.254 58.000 -0.622 0.000 1.224 239 F CB -0.585 37.834 39.000 -0.968 0.000 0.991 239 F HN 0.142 nan 8.300 nan 0.000 0.471 240 W N 0.709 121.934 121.300 -0.125 0.000 2.402 240 W HA -0.111 4.583 4.660 0.057 0.000 0.286 240 W C 2.335 178.769 176.519 -0.141 0.000 1.221 240 W CA 1.065 58.323 57.345 -0.145 0.000 1.257 240 W CB -0.637 28.825 29.460 0.003 0.000 1.120 240 W HN 0.092 nan 8.180 nan 0.000 0.551 241 D N -0.490 119.958 120.400 0.080 0.000 2.087 241 D HA -0.313 4.357 4.640 0.050 0.000 0.192 241 D C 1.899 178.205 176.300 0.009 0.000 0.993 241 D CA 1.661 55.688 54.000 0.045 0.000 0.828 241 D CB -0.663 40.172 40.800 0.058 0.000 0.968 241 D HN 0.185 nan 8.370 nan 0.000 0.448 242 Y N 0.365 120.564 120.300 -0.169 0.000 2.128 242 Y HA -0.222 4.360 4.550 0.053 0.000 0.284 242 Y C 2.301 178.070 175.900 -0.219 0.000 1.154 242 Y CA 1.616 59.603 58.100 -0.188 0.000 1.149 242 Y CB -0.419 37.889 38.460 -0.253 0.000 0.976 242 Y HN -0.084 nan 8.280 nan 0.000 0.505 243 V N 0.024 119.828 119.914 -0.183 0.000 2.287 243 V HA -0.346 3.804 4.120 0.050 0.000 0.248 243 V C 2.593 178.640 176.094 -0.079 0.000 1.053 243 V CA 2.243 64.422 62.300 -0.202 0.000 1.027 243 V CB -1.208 30.375 31.823 -0.400 0.000 0.646 243 V HN 0.667 nan 8.190 nan 0.000 0.447 244 S N -0.192 115.505 115.700 -0.006 0.000 2.442 244 S HA -0.068 4.432 4.470 0.050 0.000 0.236 244 S C 1.684 176.257 174.600 -0.044 0.000 1.007 244 S CA 1.361 59.578 58.200 0.027 0.000 0.965 244 S CB -0.474 62.767 63.200 0.067 0.000 0.773 244 S HN 0.564 nan 8.310 nan 0.000 0.504 245 L N 0.035 121.184 121.223 -0.124 0.000 2.607 245 L HA 0.325 4.695 4.340 0.050 0.000 0.228 245 L C 0.505 177.211 176.870 -0.274 0.000 1.123 245 L CA 0.103 54.840 54.840 -0.172 0.000 0.890 245 L CB 0.012 41.969 42.059 -0.171 0.000 1.103 245 L HN 0.252 nan 8.230 nan 0.000 0.468 246 Q N 0.360 119.962 119.800 -0.330 0.000 3.244 246 Q HA 0.221 4.591 4.340 0.050 0.000 0.249 246 Q C -1.929 173.862 176.000 -0.348 0.000 0.951 246 Q CA -1.380 54.186 55.803 -0.396 0.000 0.740 246 Q CB 1.520 29.912 28.738 -0.577 0.000 1.334 246 Q HN -0.011 nan 8.270 nan 0.000 0.448 247 P HA -0.232 nan 4.420 nan 0.000 0.223 247 P C 0.922 177.910 177.300 -0.520 0.000 1.144 247 P CA 1.183 64.041 63.100 -0.403 0.000 0.783 247 P CB 0.263 31.735 31.700 -0.380 0.000 0.771 248 E N 0.661 120.416 120.200 -0.742 0.000 2.267 248 E HA -0.180 4.200 4.350 0.050 0.000 0.197 248 E C 1.550 178.082 176.600 -0.114 0.000 0.998 248 E CA 1.854 58.039 56.400 -0.358 0.000 0.830 248 E CB -1.371 28.204 29.700 -0.207 0.000 0.751 248 E HN 0.303 nan 8.360 nan 0.000 0.491 249 T N -0.460 114.039 114.554 -0.092 0.000 3.007 249 T HA -0.026 4.354 4.350 0.050 0.000 0.270 249 T C 1.951 176.710 174.700 0.098 0.000 1.107 249 T CA 0.547 62.665 62.100 0.030 0.000 1.118 249 T CB -0.326 68.586 68.868 0.073 0.000 0.889 249 T HN 0.151 nan 8.240 nan 0.000 0.506 250 L N -0.093 121.190 121.223 0.100 0.000 2.141 250 L HA -0.038 4.332 4.340 0.050 0.000 0.209 250 L C 2.854 179.883 176.870 0.264 0.000 1.094 250 L CA 1.612 56.583 54.840 0.218 0.000 0.763 250 L CB -0.696 41.504 42.059 0.235 0.000 0.908 250 L HN 0.481 nan 8.230 nan 0.000 0.437 251 H N -0.026 119.081 119.070 0.062 0.000 2.293 251 H HA -0.202 4.384 4.556 0.051 0.000 0.300 251 H C 2.123 177.437 175.328 -0.024 0.000 1.082 251 H CA 1.760 57.841 56.048 0.055 0.000 1.308 251 H CB 0.258 30.023 29.762 0.005 0.000 1.375 251 H HN 0.366 nan 8.280 nan 0.000 0.495 252 N N -0.088 118.415 118.700 -0.328 0.000 2.244 252 N HA -0.123 4.647 4.740 0.050 0.000 0.183 252 N C 1.957 177.258 175.510 -0.349 0.000 1.016 252 N CA 0.692 53.320 53.050 -0.703 0.000 0.866 252 N CB 0.296 37.876 38.487 -1.511 0.000 0.980 252 N HN 0.121 nan 8.380 nan 0.000 0.430 253 V N 1.916 121.863 119.914 0.054 0.000 2.287 253 V HA -0.283 3.867 4.120 0.050 0.000 0.248 253 V C 2.538 178.762 176.094 0.217 0.000 1.053 253 V CA 1.340 63.833 62.300 0.321 0.000 1.027 253 V CB -0.405 31.663 31.823 0.408 0.000 0.646 253 V HN 0.390 nan 8.190 nan 0.000 0.447 254 M N -1.515 118.250 119.600 0.275 0.000 2.089 254 M HA -0.257 4.253 4.480 0.050 0.000 0.257 254 M C 2.078 178.367 176.300 -0.018 0.000 1.071 254 M CA 2.100 57.550 55.300 0.250 0.000 1.096 254 M CB -1.373 31.398 32.600 0.285 0.000 1.330 254 M HN 0.474 nan 8.290 nan 0.000 0.403 255 W N 0.515 121.541 121.300 -0.456 0.000 2.335 255 W HA -0.130 4.563 4.660 0.054 0.000 0.311 255 W C 2.893 179.345 176.519 -0.112 0.000 1.213 255 W CA 2.020 59.090 57.345 -0.457 0.000 1.274 255 W CB -1.180 27.937 29.460 -0.573 0.000 1.148 255 W HN 0.322 nan 8.180 nan 0.000 0.498 256 A N -0.640 122.261 122.820 0.135 0.000 1.933 256 A HA -0.195 4.155 4.320 0.050 0.000 0.218 256 A C 1.936 179.570 177.584 0.083 0.000 1.175 256 A CA 1.859 53.981 52.037 0.141 0.000 0.628 256 A CB -0.616 18.507 19.000 0.204 0.000 0.814 256 A HN 0.131 nan 8.150 nan 0.000 0.444 257 M N 0.655 120.261 119.600 0.010 0.000 2.492 257 M HA 0.021 4.531 4.480 0.050 0.000 0.262 257 M C 1.472 177.812 176.300 0.066 0.000 1.090 257 M CA 0.789 56.036 55.300 -0.088 0.000 1.110 257 M CB -1.411 30.880 32.600 -0.515 0.000 1.407 257 M HN 0.551 nan 8.290 nan 0.000 0.470 258 S N 0.395 116.192 115.700 0.161 0.000 2.626 258 S HA 0.059 4.559 4.470 0.050 0.000 0.257 258 S C 0.766 175.490 174.600 0.207 0.000 1.288 258 S CA -0.362 57.970 58.200 0.221 0.000 0.980 258 S CB 0.901 64.273 63.200 0.286 0.000 0.975 258 S HN 0.191 nan 8.310 nan 0.000 0.577 259 D N 0.243 120.785 120.400 0.237 0.000 2.378 259 D HA 0.005 4.675 4.640 0.050 0.000 0.222 259 D C 1.910 178.351 176.300 0.236 0.000 0.980 259 D CA 0.386 54.546 54.000 0.267 0.000 0.907 259 D CB -0.171 40.850 40.800 0.370 0.000 0.899 259 D HN 0.400 nan 8.370 nan 0.000 0.527 260 R N 0.188 120.819 120.500 0.219 0.000 2.159 260 R HA -0.074 4.296 4.340 0.050 0.000 0.237 260 R C 2.055 178.510 176.300 0.258 0.000 1.131 260 R CA 1.079 57.335 56.100 0.259 0.000 0.982 260 R CB -0.774 29.745 30.300 0.365 0.000 0.868 260 R HN 0.182 nan 8.270 nan 0.000 0.453 261 G N 1.229 110.168 108.800 0.232 0.000 2.744 261 G HA2 -0.000 3.990 3.960 0.050 0.000 0.211 261 G HA3 -0.000 3.990 3.960 0.050 0.000 0.211 261 G C 0.981 176.023 174.900 0.236 0.000 1.143 261 G CA 0.044 45.275 45.100 0.217 0.000 0.788 261 G HN 0.404 nan 8.290 nan 0.000 0.534 262 I N -1.950 118.770 120.570 0.249 0.000 2.926 262 I HA 0.346 4.546 4.170 0.050 0.000 0.295 262 I C -2.797 173.473 176.117 0.256 0.000 1.463 262 I CA -2.576 58.878 61.300 0.257 0.000 0.892 262 I CB 1.646 39.804 38.000 0.262 0.000 1.874 262 I HN -0.266 nan 8.210 nan 0.000 0.620 263 P HA 0.014 nan 4.420 nan 0.000 0.267 263 P C 0.591 178.036 177.300 0.243 0.000 1.200 263 P CA -0.081 63.130 63.100 0.184 0.000 0.772 263 P CB 1.168 32.911 31.700 0.071 0.000 0.855 264 R N 1.816 122.442 120.500 0.208 0.000 2.115 264 R HA -0.002 4.368 4.340 0.050 0.000 0.230 264 R C 0.372 176.816 176.300 0.241 0.000 1.111 264 R CA 1.415 57.685 56.100 0.283 0.000 0.976 264 R CB -0.354 30.081 30.300 0.225 0.000 0.870 264 R HN 0.546 nan 8.270 nan 0.000 0.445 265 S N -2.632 112.995 115.700 -0.122 0.000 2.558 265 S HA 0.188 4.688 4.470 0.050 0.000 0.277 265 S C -0.431 173.854 174.600 -0.525 0.000 1.143 265 S CA -0.865 57.101 58.200 -0.390 0.000 0.865 265 S CB 0.074 63.182 63.200 -0.153 0.000 1.102 265 S HN 0.117 nan 8.310 nan 0.000 0.454 266 Y N 2.608 122.517 120.300 -0.652 0.000 2.384 266 Y HA 0.007 4.588 4.550 0.052 0.000 0.289 266 Y C 2.308 177.843 175.900 -0.608 0.000 1.152 266 Y CA 1.178 58.770 58.100 -0.846 0.000 1.258 266 Y CB -0.308 37.273 38.460 -1.465 0.000 0.979 266 Y HN 0.572 nan 8.280 nan 0.000 0.549 267 R N -0.582 119.772 120.500 -0.244 0.000 2.276 267 R HA -0.011 4.359 4.340 0.050 0.000 0.203 267 R C 0.944 177.193 176.300 -0.084 0.000 1.017 267 R CA 1.418 57.426 56.100 -0.153 0.000 1.010 267 R CB -0.245 29.964 30.300 -0.152 0.000 0.900 267 R HN 0.330 nan 8.270 nan 0.000 0.469 268 T N -2.082 112.442 114.554 -0.050 0.000 3.415 268 T HA 0.341 4.721 4.350 0.050 0.000 0.282 268 T C 0.111 174.846 174.700 0.059 0.000 1.007 268 T CA -0.689 61.412 62.100 0.002 0.000 0.958 268 T CB -0.037 68.819 68.868 -0.019 0.000 1.171 268 T HN 0.056 nan 8.240 nan 0.000 0.500 269 M N -1.085 118.588 119.600 0.121 0.000 2.619 269 M HA 0.751 5.261 4.480 0.050 0.000 0.297 269 M C -1.217 175.256 176.300 0.288 0.000 1.229 269 M CA -0.881 54.532 55.300 0.189 0.000 0.860 269 M CB 2.136 34.844 32.600 0.179 0.000 1.741 269 M HN -0.145 nan 8.290 nan 0.000 0.462 270 E N 0.314 120.684 120.200 0.284 0.000 2.314 270 E HA 0.664 5.045 4.350 0.050 0.000 0.262 270 E C -0.316 176.369 176.600 0.142 0.000 1.093 270 E CA -0.569 55.938 56.400 0.179 0.000 0.908 270 E CB 1.734 31.463 29.700 0.048 0.000 1.091 270 E HN 0.850 nan 8.360 nan 0.000 0.425 271 G N 0.715 109.453 108.800 -0.103 0.000 2.533 271 G HA2 0.652 4.642 3.960 0.050 0.000 0.304 271 G HA3 0.652 4.642 3.960 0.050 0.000 0.304 271 G C -1.456 173.036 174.900 -0.680 0.000 1.263 271 G CA -0.478 44.518 45.100 -0.174 0.000 0.964 271 G HN 0.305 nan 8.290 nan 0.000 0.479 272 F N -0.821 119.060 119.950 -0.115 0.000 2.619 272 F HA 0.502 5.057 4.527 0.048 0.000 0.308 272 F C 1.047 176.738 175.800 -0.182 0.000 1.097 272 F CA -0.571 57.280 58.000 -0.248 0.000 0.953 272 F CB 2.545 41.353 39.000 -0.320 0.000 1.287 272 F HN 0.607 nan 8.300 nan 0.000 0.446 273 G N -0.506 108.333 108.800 0.064 0.000 2.920 273 G HA2 0.164 4.154 3.960 0.050 0.000 0.208 273 G HA3 0.164 4.154 3.960 0.050 0.000 0.208 273 G C 0.738 175.700 174.900 0.104 0.000 1.159 273 G CA 0.649 45.842 45.100 0.154 0.000 0.784 273 G HN 1.018 nan 8.290 nan 0.000 0.535 274 C N -1.391 117.870 119.300 -0.066 0.000 5.885 274 C HA -0.163 4.327 4.460 0.050 0.000 0.327 274 C C 0.715 175.453 174.990 -0.421 0.000 2.426 274 C CA 0.751 59.569 59.018 -0.334 0.000 2.190 274 C CB -1.997 25.413 27.740 -0.550 0.000 3.229 274 C HN 0.603 nan 8.230 nan 0.000 0.266 275 H N 0.132 119.239 119.070 0.063 0.000 2.679 275 H HA 0.465 5.050 4.556 0.048 0.000 0.367 275 H C -0.160 175.147 175.328 -0.035 0.000 1.162 275 H CA 0.045 56.050 56.048 -0.071 0.000 1.181 275 H CB 0.915 30.499 29.762 -0.296 0.000 1.693 275 H HN 0.293 nan 8.280 nan 0.000 0.538 276 T N 3.209 117.766 114.554 0.005 0.000 2.817 276 T HA 0.145 4.525 4.350 0.050 0.000 0.295 276 T C 0.221 174.881 174.700 -0.066 0.000 0.958 276 T CA 0.415 62.500 62.100 -0.024 0.000 1.157 276 T CB -0.450 68.350 68.868 -0.113 0.000 0.898 276 T HN 0.206 nan 8.240 nan 0.000 0.536 277 F N 1.376 121.299 119.950 -0.045 0.000 2.629 277 F HA 0.647 5.202 4.527 0.046 0.000 0.386 277 F C 1.089 176.853 175.800 -0.061 0.000 1.135 277 F CA -1.301 56.696 58.000 -0.006 0.000 1.116 277 F CB 1.328 40.315 39.000 -0.022 0.000 1.426 277 F HN 0.215 nan 8.300 nan 0.000 0.501 278 R N 0.549 121.111 120.500 0.104 0.000 2.740 278 R HA 0.612 4.982 4.340 0.050 0.000 0.282 278 R C -1.557 174.624 176.300 -0.199 0.000 0.969 278 R CA -0.862 55.157 56.100 -0.135 0.000 0.918 278 R CB 1.856 31.997 30.300 -0.265 0.000 1.175 278 R HN 0.415 nan 8.270 nan 0.000 0.464 279 L N 3.511 124.569 121.223 -0.276 0.000 2.325 279 L HA 0.512 4.882 4.340 0.050 0.000 0.279 279 L C -0.339 176.368 176.870 -0.271 0.000 1.054 279 L CA -0.819 53.865 54.840 -0.260 0.000 0.804 279 L CB 1.047 42.958 42.059 -0.248 0.000 1.200 279 L HN 0.368 nan 8.230 nan 0.000 0.436 280 I N 2.401 122.834 120.570 -0.228 0.000 2.466 280 I HA 0.292 4.492 4.170 0.050 0.000 0.289 280 I C -0.329 175.695 176.117 -0.154 0.000 1.026 280 I CA -0.712 60.459 61.300 -0.216 0.000 1.078 280 I CB 1.496 39.375 38.000 -0.202 0.000 1.249 280 I HN 0.624 nan 8.210 nan 0.000 0.429 281 N N 4.602 123.225 118.700 -0.127 0.000 2.491 281 N HA 0.440 5.210 4.740 0.050 0.000 0.279 281 N C 0.784 176.251 175.510 -0.073 0.000 1.236 281 N CA -0.400 52.596 53.050 -0.091 0.000 0.982 281 N CB 0.624 39.067 38.487 -0.074 0.000 1.194 281 N HN 0.526 nan 8.380 nan 0.000 0.582 282 A N -0.485 122.302 122.820 -0.055 0.000 1.972 282 A HA -0.116 4.234 4.320 0.050 0.000 0.219 282 A C 1.530 179.092 177.584 -0.037 0.000 1.169 282 A CA 1.361 53.372 52.037 -0.044 0.000 0.635 282 A CB -0.815 18.166 19.000 -0.032 0.000 0.810 282 A HN 0.761 nan 8.150 nan 0.000 0.446 283 E N -1.293 118.886 120.200 -0.034 0.000 2.482 283 E HA 0.250 4.630 4.350 0.050 0.000 0.196 283 E C 1.263 177.852 176.600 -0.019 0.000 1.047 283 E CA 0.784 57.169 56.400 -0.025 0.000 0.869 283 E CB -0.212 29.475 29.700 -0.022 0.000 0.836 283 E HN 0.759 nan 8.360 nan 0.000 0.520 284 G N 1.308 110.092 108.800 -0.027 0.000 2.136 284 G HA2 -0.377 3.613 3.960 0.050 0.000 0.242 284 G HA3 -0.377 3.613 3.960 0.050 0.000 0.242 284 G C 0.223 175.138 174.900 0.026 0.000 0.989 284 G CA 0.369 45.470 45.100 0.001 0.000 0.682 284 G HN 0.293 nan 8.290 nan 0.000 0.522 285 K N 0.603 120.983 120.400 -0.034 0.000 2.350 285 K HA 0.639 4.989 4.320 0.050 0.000 0.279 285 K C 0.578 177.045 176.600 -0.222 0.000 1.027 285 K CA 0.218 56.460 56.287 -0.075 0.000 0.969 285 K CB 0.517 32.973 32.500 -0.074 0.000 0.954 285 K HN 0.661 nan 8.250 nan 0.000 0.474 286 A N 3.416 125.995 122.820 -0.402 0.000 2.292 286 A HA 0.425 4.775 4.320 0.050 0.000 0.319 286 A C -0.840 176.422 177.584 -0.537 0.000 1.206 286 A CA -0.588 51.039 52.037 -0.683 0.000 0.835 286 A CB 1.169 19.270 19.000 -1.498 0.000 1.164 286 A HN 0.733 nan 8.150 nan 0.000 0.505 287 T N 2.406 116.685 114.554 -0.458 0.000 2.824 287 T HA 0.544 4.924 4.350 0.050 0.000 0.282 287 T C -0.625 173.856 174.700 -0.364 0.000 0.993 287 T CA -0.090 61.797 62.100 -0.355 0.000 0.967 287 T CB 0.473 69.225 68.868 -0.193 0.000 0.960 287 T HN 0.338 nan 8.240 nan 0.000 0.441 288 F N 2.021 121.875 119.950 -0.161 0.000 2.429 288 F HA 0.541 5.097 4.527 0.048 0.000 0.348 288 F C 0.532 176.214 175.800 -0.196 0.000 1.109 288 F CA -0.473 57.429 58.000 -0.163 0.000 1.232 288 F CB 0.784 39.713 39.000 -0.119 0.000 1.157 288 F HN 0.195 nan 8.300 nan 0.000 0.564 289 V N 4.705 124.578 119.914 -0.068 0.000 2.888 289 V HA 0.599 4.749 4.120 0.050 0.000 0.309 289 V C -0.989 174.879 176.094 -0.377 0.000 1.114 289 V CA -0.741 61.360 62.300 -0.331 0.000 0.940 289 V CB 2.105 33.502 31.823 -0.710 0.000 1.021 289 V HN 0.761 nan 8.190 nan 0.000 0.426 290 R N 4.599 124.922 120.500 -0.295 0.000 2.599 290 R HA 0.570 4.940 4.340 0.050 0.000 0.295 290 R C -1.621 174.584 176.300 -0.159 0.000 0.963 290 R CA -0.461 55.499 56.100 -0.232 0.000 0.883 290 R CB 2.125 32.417 30.300 -0.014 0.000 1.171 290 R HN 0.586 nan 8.270 nan 0.000 0.450 291 F N 1.790 121.764 119.950 0.040 0.000 2.379 291 F HA 0.391 4.946 4.527 0.048 0.000 0.332 291 F C 0.917 176.629 175.800 -0.147 0.000 1.096 291 F CA -0.123 57.870 58.000 -0.011 0.000 1.105 291 F CB 0.956 39.838 39.000 -0.197 0.000 1.189 291 F HN 0.194 nan 8.300 nan 0.000 0.515 292 H N 0.665 119.725 119.070 -0.017 0.000 2.806 292 H HA 0.218 4.806 4.556 0.052 0.000 0.367 292 H C -1.632 173.468 175.328 -0.380 0.000 1.136 292 H CA -1.025 54.905 56.048 -0.196 0.000 1.178 292 H CB 1.898 31.633 29.762 -0.045 0.000 1.718 292 H HN 0.679 nan 8.280 nan 0.000 0.540 293 W N 2.522 123.718 121.300 -0.172 0.000 2.532 293 W HA 0.328 5.016 4.660 0.046 0.000 0.321 293 W C -0.058 176.498 176.519 0.062 0.000 1.037 293 W CA -0.778 56.523 57.345 -0.073 0.000 1.220 293 W CB 1.810 31.069 29.460 -0.335 0.000 1.361 293 W HN 0.283 nan 8.180 nan 0.000 0.468 294 K N 5.834 126.513 120.400 0.465 0.000 2.265 294 K HA 0.388 4.738 4.320 0.050 0.000 0.267 294 K C -2.449 174.384 176.600 0.388 0.000 0.994 294 K CA -1.901 54.589 56.287 0.337 0.000 0.860 294 K CB 1.465 34.110 32.500 0.241 0.000 1.099 294 K HN 0.050 nan 8.250 nan 0.000 0.448 295 P HA 0.052 nan 4.420 nan 0.000 0.276 295 P C 0.381 177.700 177.300 0.033 0.000 1.253 295 P CA -0.122 63.067 63.100 0.148 0.000 0.766 295 P CB 0.853 32.644 31.700 0.151 0.000 0.845 296 L N 2.715 123.901 121.223 -0.063 0.000 2.376 296 L HA -0.061 4.309 4.340 0.050 0.000 0.219 296 L C 2.149 179.002 176.870 -0.030 0.000 1.133 296 L CA 1.045 55.877 54.840 -0.013 0.000 0.816 296 L CB -0.541 41.516 42.059 -0.002 0.000 0.933 296 L HN 0.352 nan 8.230 nan 0.000 0.449 297 A N 0.038 122.812 122.820 -0.076 0.000 2.238 297 A HA 0.421 4.771 4.320 0.050 0.000 0.208 297 A C 1.226 178.807 177.584 -0.004 0.000 1.177 297 A CA 0.630 52.640 52.037 -0.046 0.000 0.804 297 A CB -0.420 18.533 19.000 -0.078 0.000 0.823 297 A HN 0.445 nan 8.150 nan 0.000 0.482 298 G N -0.545 108.267 108.800 0.021 0.000 2.756 298 G HA2 -0.130 3.860 3.960 0.050 0.000 0.678 298 G HA3 -0.130 3.860 3.960 0.050 0.000 0.678 298 G C -0.668 174.264 174.900 0.053 0.000 1.349 298 G CA -0.458 44.674 45.100 0.053 0.000 0.847 298 G HN 0.474 nan 8.290 nan 0.000 0.548 299 K N 0.135 120.573 120.400 0.064 0.000 2.183 299 K HA 0.731 5.081 4.320 0.050 0.000 0.274 299 K C 0.195 176.797 176.600 0.003 0.000 1.009 299 K CA 0.172 56.482 56.287 0.038 0.000 0.888 299 K CB 1.845 34.358 32.500 0.020 0.000 1.078 299 K HN 1.445 nan 8.250 nan 0.000 0.459 300 A N 1.775 124.581 122.820 -0.024 0.000 2.540 300 A HA 0.600 4.950 4.320 0.050 0.000 0.297 300 A C -1.105 176.512 177.584 0.055 0.000 1.056 300 A CA -0.681 51.287 52.037 -0.116 0.000 0.700 300 A CB 1.659 20.397 19.000 -0.437 0.000 1.280 300 A HN 0.520 nan 8.150 nan 0.000 0.398 301 S N 0.600 116.475 115.700 0.293 0.000 2.671 301 S HA 0.755 5.255 4.470 0.050 0.000 0.299 301 S C -0.004 174.901 174.600 0.507 0.000 1.116 301 S CA -0.635 57.786 58.200 0.368 0.000 0.912 301 S CB 1.160 64.570 63.200 0.350 0.000 1.130 301 S HN 0.654 nan 8.310 nan 0.000 0.501 302 L N 1.292 122.712 121.223 0.329 0.000 2.470 302 L HA 0.492 4.862 4.340 0.050 0.000 0.243 302 L C 0.111 177.099 176.870 0.197 0.000 1.227 302 L CA -0.709 54.251 54.840 0.201 0.000 0.824 302 L CB 0.072 42.159 42.059 0.047 0.000 1.175 302 L HN 0.489 nan 8.230 nan 0.000 0.503 303 V N -3.062 116.864 119.914 0.021 0.000 2.850 303 V HA 0.187 4.337 4.120 0.050 0.000 0.315 303 V C 0.646 176.676 176.094 -0.107 0.000 1.064 303 V CA -0.796 61.481 62.300 -0.038 0.000 0.979 303 V CB 1.634 33.401 31.823 -0.094 0.000 1.039 303 V HN 0.940 nan 8.190 nan 0.000 0.452 304 W N 1.794 122.952 121.300 -0.235 0.000 2.333 304 W HA -0.209 4.480 4.660 0.049 0.000 0.316 304 W C 1.823 178.177 176.519 -0.276 0.000 1.215 304 W CA 2.510 59.712 57.345 -0.239 0.000 1.278 304 W CB -0.130 29.177 29.460 -0.256 0.000 1.154 304 W HN 1.004 nan 8.180 nan 0.000 0.486 305 D N 0.321 120.441 120.400 -0.467 0.000 2.116 305 D HA -0.319 4.351 4.640 0.050 0.000 0.193 305 D C 2.129 178.053 176.300 -0.626 0.000 0.998 305 D CA 2.374 56.060 54.000 -0.524 0.000 0.836 305 D CB -0.552 40.183 40.800 -0.109 0.000 0.951 305 D HN 0.397 nan 8.370 nan 0.000 0.449 306 E N -0.475 119.235 120.200 -0.817 0.000 2.051 306 E HA -0.204 4.176 4.350 0.050 0.000 0.192 306 E C 2.026 178.283 176.600 -0.573 0.000 0.991 306 E CA 1.095 56.970 56.400 -0.875 0.000 0.799 306 E CB -0.243 28.849 29.700 -1.014 0.000 0.748 306 E HN 0.317 nan 8.360 nan 0.000 0.449 307 A N 1.201 123.700 122.820 -0.536 0.000 1.877 307 A HA -0.264 4.087 4.320 0.050 0.000 0.216 307 A C 2.203 179.441 177.584 -0.576 0.000 1.186 307 A CA 1.825 53.589 52.037 -0.456 0.000 0.620 307 A CB -0.759 18.074 19.000 -0.279 0.000 0.822 307 A HN 0.451 nan 8.150 nan 0.000 0.443 308 Q N -0.487 118.751 119.800 -0.935 0.000 2.050 308 Q HA -0.207 4.163 4.340 0.050 0.000 0.202 308 Q C 2.184 177.903 176.000 -0.468 0.000 0.980 308 Q CA 1.866 57.164 55.803 -0.842 0.000 0.840 308 Q CB -0.168 27.809 28.738 -1.269 0.000 0.898 308 Q HN 0.652 nan 8.270 nan 0.000 0.424 309 K N 0.035 120.182 120.400 -0.423 0.000 2.152 309 K HA -0.175 4.175 4.320 0.050 0.000 0.206 309 K C 2.040 178.497 176.600 -0.238 0.000 1.048 309 K CA 0.928 57.060 56.287 -0.258 0.000 0.933 309 K CB -0.074 32.322 32.500 -0.173 0.000 0.721 309 K HN 0.190 nan 8.250 nan 0.000 0.447 310 L N 1.213 122.251 121.223 -0.309 0.000 2.217 310 L HA -0.115 4.256 4.340 0.050 0.000 0.211 310 L C 2.229 178.959 176.870 -0.233 0.000 1.107 310 L CA 2.063 56.717 54.840 -0.310 0.000 0.783 310 L CB -0.865 40.916 42.059 -0.464 0.000 0.919 310 L HN 0.313 nan 8.230 nan 0.000 0.442 311 T N -4.342 110.078 114.554 -0.222 0.000 2.881 311 T HA -0.066 4.314 4.350 0.050 0.000 0.270 311 T C 1.843 176.478 174.700 -0.108 0.000 1.068 311 T CA 1.001 63.013 62.100 -0.147 0.000 1.131 311 T CB -0.888 67.903 68.868 -0.128 0.000 0.871 311 T HN 0.365 nan 8.240 nan 0.000 0.479 312 G N 1.044 109.773 108.800 -0.119 0.000 2.437 312 G HA2 0.010 4.001 3.960 0.050 0.000 0.212 312 G HA3 0.010 4.001 3.960 0.050 0.000 0.212 312 G C 1.914 176.769 174.900 -0.075 0.000 1.174 312 G CA -0.261 44.787 45.100 -0.086 0.000 0.811 312 G HN 0.300 nan 8.290 nan 0.000 0.537 313 R N 0.267 120.712 120.500 -0.091 0.000 2.090 313 R HA 0.048 4.418 4.340 0.050 0.000 0.228 313 R C -0.163 176.110 176.300 -0.045 0.000 1.110 313 R CA 0.814 56.874 56.100 -0.067 0.000 0.973 313 R CB -0.201 30.050 30.300 -0.082 0.000 0.869 313 R HN 0.349 nan 8.270 nan 0.000 0.440 314 D N -0.503 119.865 120.400 -0.054 0.000 2.411 314 D HA 0.144 4.814 4.640 0.050 0.000 0.239 314 D C -2.150 174.150 176.300 0.001 0.000 1.307 314 D CA -1.772 52.230 54.000 0.003 0.000 0.930 314 D CB 1.419 42.269 40.800 0.083 0.000 1.395 314 D HN -0.149 nan 8.370 nan 0.000 0.536 315 P HA 0.016 nan 4.420 nan 0.000 0.230 315 P C 0.123 177.429 177.300 0.010 0.000 1.158 315 P CA 0.571 63.659 63.100 -0.020 0.000 0.769 315 P CB 0.481 32.167 31.700 -0.024 0.000 0.807 316 D N -1.339 119.078 120.400 0.028 0.000 2.358 316 D HA 0.056 4.726 4.640 0.050 0.000 0.224 316 D C 1.286 177.629 176.300 0.071 0.000 1.123 316 D CA -0.351 53.673 54.000 0.039 0.000 0.833 316 D CB -0.600 40.201 40.800 0.002 0.000 0.946 316 D HN 0.139 nan 8.370 nan 0.000 0.505 317 F N 1.297 121.192 119.950 -0.093 0.000 2.091 317 F HA -0.264 4.292 4.527 0.049 0.000 0.299 317 F C 2.110 177.894 175.800 -0.028 0.000 1.103 317 F CA 1.893 59.836 58.000 -0.095 0.000 1.228 317 F CB 0.039 38.928 39.000 -0.185 0.000 0.984 317 F HN 0.116 nan 8.300 nan 0.000 0.477 318 H N -1.216 117.776 119.070 -0.130 0.000 2.395 318 H HA -0.078 4.508 4.556 0.049 0.000 0.299 318 H C 2.379 177.613 175.328 -0.156 0.000 1.070 318 H CA 0.800 56.629 56.048 -0.365 0.000 1.356 318 H CB -0.106 29.280 29.762 -0.627 0.000 1.401 318 H HN 0.186 nan 8.280 nan 0.000 0.524 319 R N 1.284 121.888 120.500 0.174 0.000 2.091 319 R HA -0.145 4.225 4.340 0.050 0.000 0.238 319 R C 2.435 178.842 176.300 0.179 0.000 1.136 319 R CA 1.384 57.633 56.100 0.248 0.000 0.959 319 R CB -0.040 30.395 30.300 0.225 0.000 0.856 319 R HN 0.208 nan 8.270 nan 0.000 0.437 320 R N 0.298 120.827 120.500 0.047 0.000 2.066 320 R HA -0.138 4.232 4.340 0.050 0.000 0.232 320 R C 2.182 178.487 176.300 0.007 0.000 1.131 320 R CA 1.649 57.758 56.100 0.015 0.000 0.955 320 R CB -0.238 30.034 30.300 -0.047 0.000 0.851 320 R HN 0.255 nan 8.270 nan 0.000 0.432 321 E N 0.683 120.783 120.200 -0.167 0.000 2.110 321 E HA -0.197 4.183 4.350 0.050 0.000 0.193 321 E C 2.002 178.573 176.600 -0.049 0.000 0.988 321 E CA 1.014 57.283 56.400 -0.219 0.000 0.804 321 E CB -0.054 29.338 29.700 -0.513 0.000 0.745 321 E HN 0.264 nan 8.360 nan 0.000 0.458 322 L N 0.840 122.080 121.223 0.028 0.000 2.017 322 L HA -0.145 4.225 4.340 0.050 0.000 0.208 322 L C 2.245 179.217 176.870 0.170 0.000 1.073 322 L CA 1.825 56.729 54.840 0.106 0.000 0.745 322 L CB -0.950 41.236 42.059 0.212 0.000 0.894 322 L HN 0.308 nan 8.230 nan 0.000 0.432 323 W N 0.877 122.212 121.300 0.060 0.000 2.355 323 W HA -0.208 4.481 4.660 0.048 0.000 0.309 323 W C 2.197 178.747 176.519 0.051 0.000 1.206 323 W CA 2.138 59.530 57.345 0.078 0.000 1.284 323 W CB -0.119 29.391 29.460 0.083 0.000 1.145 323 W HN 0.350 nan 8.180 nan 0.000 0.502 324 E N -0.134 120.241 120.200 0.293 0.000 2.208 324 E HA -0.105 4.275 4.350 0.050 0.000 0.193 324 E C 2.342 178.976 176.600 0.056 0.000 0.988 324 E CA 0.866 57.362 56.400 0.160 0.000 0.828 324 E CB -0.248 29.497 29.700 0.075 0.000 0.763 324 E HN 0.179 nan 8.360 nan 0.000 0.478 325 A N 1.341 124.192 122.820 0.051 0.000 1.877 325 A HA -0.189 4.161 4.320 0.050 0.000 0.216 325 A C 2.147 179.769 177.584 0.062 0.000 1.186 325 A CA 1.114 53.176 52.037 0.042 0.000 0.620 325 A CB -0.556 18.465 19.000 0.035 0.000 0.822 325 A HN 0.139 nan 8.150 nan 0.000 0.443 326 I N -0.501 120.123 120.570 0.090 0.000 2.226 326 I HA -0.241 3.959 4.170 0.050 0.000 0.245 326 I C 2.471 178.675 176.117 0.145 0.000 1.100 326 I CA 1.464 62.870 61.300 0.177 0.000 1.374 326 I CB -0.444 37.576 38.000 0.033 0.000 1.057 326 I HN 0.429 nan 8.210 nan 0.000 0.413 327 E N 0.802 121.031 120.200 0.048 0.000 2.153 327 E HA -0.196 4.184 4.350 0.050 0.000 0.194 327 E C 2.125 178.748 176.600 0.040 0.000 0.988 327 E CA 1.262 57.699 56.400 0.061 0.000 0.811 327 E CB -0.093 29.672 29.700 0.107 0.000 0.746 327 E HN 0.512 nan 8.360 nan 0.000 0.466 328 A N -0.007 122.811 122.820 -0.003 0.000 2.218 328 A HA 0.231 4.581 4.320 0.050 0.000 0.209 328 A C 1.740 179.259 177.584 -0.109 0.000 1.168 328 A CA 0.890 52.901 52.037 -0.043 0.000 0.804 328 A CB -0.044 18.910 19.000 -0.076 0.000 0.834 328 A HN 0.327 nan 8.150 nan 0.000 0.482 329 G N -0.382 108.269 108.800 -0.248 0.000 2.143 329 G HA2 -0.197 3.793 3.960 0.050 0.000 0.249 329 G HA3 -0.197 3.793 3.960 0.050 0.000 0.249 329 G C -0.247 174.148 174.900 -0.841 0.000 0.981 329 G CA 0.252 44.868 45.100 -0.805 0.000 0.665 329 G HN 0.432 nan 8.290 nan 0.000 0.528 330 D N 0.835 121.020 120.400 -0.358 0.000 2.896 330 D HA 0.288 4.958 4.640 0.050 0.000 0.240 330 D C 0.782 177.044 176.300 -0.064 0.000 1.193 330 D CA -0.183 53.709 54.000 -0.179 0.000 0.983 330 D CB -0.624 40.170 40.800 -0.010 0.000 1.074 330 D HN 0.442 nan 8.370 nan 0.000 0.496 331 F N 1.322 121.270 119.950 -0.004 0.000 2.578 331 F HA 0.113 4.670 4.527 0.050 0.000 0.376 331 F C -1.394 174.370 175.800 -0.061 0.000 1.085 331 F CA -1.999 55.990 58.000 -0.018 0.000 1.260 331 F CB 0.123 39.124 39.000 0.002 0.000 1.095 331 F HN -0.118 nan 8.300 nan 0.000 0.573 332 P HA 0.031 nan 4.420 nan 0.000 0.262 332 P C -1.124 176.083 177.300 -0.155 0.000 1.199 332 P CA 0.361 63.423 63.100 -0.062 0.000 0.763 332 P CB 0.427 32.172 31.700 0.075 0.000 0.790 333 E N 2.664 122.631 120.200 -0.388 0.000 2.222 333 E HA 0.467 4.847 4.350 0.050 0.000 0.267 333 E C -1.008 175.299 176.600 -0.489 0.000 0.884 333 E CA -0.571 55.674 56.400 -0.257 0.000 0.764 333 E CB 1.479 31.140 29.700 -0.065 0.000 1.169 333 E HN 0.383 nan 8.360 nan 0.000 0.413 334 Y N 0.276 120.644 120.300 0.114 0.000 2.492 334 Y HA 0.267 4.849 4.550 0.053 0.000 0.346 334 Y C -0.224 175.908 175.900 0.385 0.000 0.997 334 Y CA -1.012 57.234 58.100 0.243 0.000 1.025 334 Y CB 2.040 40.627 38.460 0.211 0.000 1.263 334 Y HN 0.470 nan 8.280 nan 0.000 0.454 335 E N 2.401 122.930 120.200 0.548 0.000 2.175 335 E HA 0.444 4.824 4.350 0.050 0.000 0.278 335 E C -1.570 175.299 176.600 0.449 0.000 0.969 335 E CA -0.967 55.694 56.400 0.435 0.000 0.796 335 E CB 1.181 31.072 29.700 0.318 0.000 1.104 335 E HN 0.579 nan 8.360 nan 0.000 0.395 336 L N 3.953 125.342 121.223 0.277 0.000 2.349 336 L HA 0.585 4.955 4.340 0.050 0.000 0.275 336 L C -0.202 176.573 176.870 -0.158 0.000 1.115 336 L CA 0.354 55.081 54.840 -0.188 0.000 0.820 336 L CB 1.217 43.124 42.059 -0.253 0.000 1.135 336 L HN 0.555 nan 8.230 nan 0.000 0.445 337 G N 4.392 113.125 108.800 -0.111 0.000 2.571 337 G HA2 0.554 4.544 3.960 0.050 0.000 0.304 337 G HA3 0.554 4.544 3.960 0.050 0.000 0.304 337 G C -1.580 173.454 174.900 0.223 0.000 1.314 337 G CA -0.497 44.581 45.100 -0.037 0.000 0.975 337 G HN 0.480 nan 8.290 nan 0.000 0.485 338 F N 0.351 120.314 119.950 0.021 0.000 2.482 338 F HA 0.387 4.945 4.527 0.051 0.000 0.331 338 F C 0.459 176.252 175.800 -0.012 0.000 1.115 338 F CA -0.951 57.060 58.000 0.019 0.000 0.955 338 F CB 2.498 41.493 39.000 -0.009 0.000 1.136 338 F HN 0.129 nan 8.300 nan 0.000 0.452 339 Q N 4.348 124.267 119.800 0.199 0.000 2.303 339 Q HA 0.484 4.854 4.340 0.050 0.000 0.257 339 Q C -1.028 175.014 176.000 0.071 0.000 0.941 339 Q CA -0.467 55.400 55.803 0.106 0.000 0.931 339 Q CB 2.085 30.892 28.738 0.116 0.000 1.215 339 Q HN 0.549 nan 8.270 nan 0.000 0.437 340 L N 4.115 125.387 121.223 0.082 0.000 2.322 340 L HA 0.579 4.949 4.340 0.050 0.000 0.281 340 L C -0.804 176.119 176.870 0.089 0.000 1.014 340 L CA -0.826 54.050 54.840 0.061 0.000 0.815 340 L CB 1.251 43.354 42.059 0.073 0.000 1.247 340 L HN 0.514 nan 8.230 nan 0.000 0.421 341 I N 4.257 124.896 120.570 0.115 0.000 2.478 341 I HA 0.394 4.594 4.170 0.050 0.000 0.287 341 I C -2.349 173.883 176.117 0.191 0.000 1.042 341 I CA -1.690 59.722 61.300 0.187 0.000 1.067 341 I CB 1.902 40.039 38.000 0.228 0.000 1.233 341 I HN 0.285 nan 8.210 nan 0.000 0.431 342 P HA 0.018 nan 4.420 nan 0.000 0.268 342 P C 0.721 178.084 177.300 0.104 0.000 1.208 342 P CA -0.082 63.052 63.100 0.056 0.000 0.777 342 P CB 0.770 32.501 31.700 0.052 0.000 0.875 343 E N 1.506 121.684 120.200 -0.037 0.000 2.153 343 E HA -0.246 4.134 4.350 0.050 0.000 0.194 343 E C 0.709 177.404 176.600 0.157 0.000 0.988 343 E CA 1.296 57.682 56.400 -0.024 0.000 0.811 343 E CB 0.002 29.587 29.700 -0.191 0.000 0.746 343 E HN 0.407 nan 8.360 nan 0.000 0.466 344 E N 0.617 120.876 120.200 0.099 0.000 2.478 344 E HA -0.088 4.292 4.350 0.050 0.000 0.198 344 E C 0.510 177.173 176.600 0.104 0.000 1.046 344 E CA 0.733 57.197 56.400 0.107 0.000 0.870 344 E CB 0.101 29.842 29.700 0.068 0.000 0.818 344 E HN 0.243 nan 8.360 nan 0.000 0.527 345 D N 0.304 120.769 120.400 0.108 0.000 2.342 345 D HA -0.017 4.653 4.640 0.050 0.000 0.221 345 D C 1.222 177.545 176.300 0.038 0.000 1.101 345 D CA 0.065 54.099 54.000 0.057 0.000 0.837 345 D CB 0.059 40.903 40.800 0.073 0.000 0.938 345 D HN 0.301 nan 8.370 nan 0.000 0.508 346 E N -0.192 120.010 120.200 0.003 0.000 2.147 346 E HA -0.206 4.174 4.350 0.050 0.000 0.199 346 E C 0.322 176.587 176.600 -0.558 0.000 1.005 346 E CA 1.144 57.326 56.400 -0.364 0.000 0.810 346 E CB 0.021 29.368 29.700 -0.589 0.000 0.736 346 E HN 0.253 nan 8.360 nan 0.000 0.460 347 F N -0.593 119.350 119.950 -0.011 0.000 2.772 347 F HA 0.303 4.860 4.527 0.050 0.000 0.302 347 F C 1.200 176.915 175.800 -0.142 0.000 1.136 347 F CA -0.333 57.635 58.000 -0.054 0.000 1.322 347 F CB 0.664 39.645 39.000 -0.031 0.000 0.967 347 F HN -0.191 nan 8.300 nan 0.000 0.513 348 K N -0.039 120.246 120.400 -0.192 0.000 2.404 348 K HA 0.161 4.511 4.320 0.050 0.000 0.194 348 K C -0.225 175.924 176.600 -0.752 0.000 1.023 348 K CA 0.295 56.295 56.287 -0.479 0.000 1.094 348 K CB 0.309 32.452 32.500 -0.596 0.000 0.841 348 K HN 0.149 nan 8.250 nan 0.000 0.523 349 F N 0.563 120.363 119.950 -0.250 0.000 2.497 349 F HA 0.099 4.657 4.527 0.051 0.000 0.331 349 F C 1.056 176.676 175.800 -0.300 0.000 1.060 349 F CA -1.219 56.543 58.000 -0.397 0.000 0.989 349 F CB 0.857 39.250 39.000 -1.012 0.000 1.245 349 F HN -0.029 nan 8.300 nan 0.000 0.486 350 D N -0.305 120.128 120.400 0.055 0.000 2.325 350 D HA 0.066 4.736 4.640 0.050 0.000 0.225 350 D C -0.408 176.008 176.300 0.193 0.000 1.096 350 D CA 0.065 54.133 54.000 0.112 0.000 0.844 350 D CB -0.835 40.050 40.800 0.143 0.000 0.925 350 D HN 0.243 nan 8.370 nan 0.000 0.513 351 F N -1.505 118.534 119.950 0.149 0.000 2.618 351 F HA 0.569 5.125 4.527 0.049 0.000 0.332 351 F C -0.226 175.578 175.800 0.006 0.000 1.061 351 F CA -1.716 56.300 58.000 0.027 0.000 0.974 351 F CB 0.938 39.909 39.000 -0.048 0.000 1.310 351 F HN -0.327 nan 8.300 nan 0.000 0.491 352 D N 1.517 121.949 120.400 0.053 0.000 2.264 352 D HA 0.209 4.879 4.640 0.050 0.000 0.250 352 D C 0.891 177.145 176.300 -0.075 0.000 1.113 352 D CA -0.134 53.841 54.000 -0.042 0.000 0.871 352 D CB 1.585 42.403 40.800 0.030 0.000 1.167 352 D HN 0.757 nan 8.370 nan 0.000 0.447 353 L N 3.365 124.468 121.223 -0.200 0.000 2.265 353 L HA -0.106 4.264 4.340 0.050 0.000 0.215 353 L C 1.895 178.644 176.870 -0.202 0.000 1.117 353 L CA 0.653 55.354 54.840 -0.231 0.000 0.782 353 L CB -0.014 41.757 42.059 -0.481 0.000 0.914 353 L HN 0.452 nan 8.230 nan 0.000 0.441 354 L N -1.151 119.981 121.223 -0.151 0.000 2.592 354 L HA 0.083 4.453 4.340 0.050 0.000 0.227 354 L C 0.373 177.205 176.870 -0.062 0.000 1.127 354 L CA -0.148 54.668 54.840 -0.039 0.000 0.884 354 L CB -0.151 41.981 42.059 0.122 0.000 1.065 354 L HN 0.071 nan 8.230 nan 0.000 0.457 355 D N 2.115 122.250 120.400 -0.441 0.000 2.380 355 D HA 0.119 4.789 4.640 0.050 0.000 0.230 355 D C -1.667 174.412 176.300 -0.369 0.000 1.154 355 D CA -2.182 51.279 54.000 -0.898 0.000 0.859 355 D CB 1.524 41.548 40.800 -1.293 0.000 1.045 355 D HN -0.040 nan 8.370 nan 0.000 0.495 356 P HA 0.015 nan 4.420 nan 0.000 0.253 356 P C 0.704 177.921 177.300 -0.138 0.000 1.260 356 P CA 0.338 63.381 63.100 -0.094 0.000 0.800 356 P CB -0.009 31.728 31.700 0.062 0.000 1.162 357 T N -4.433 110.018 114.554 -0.170 0.000 3.086 357 T HA 0.178 4.558 4.350 0.050 0.000 0.250 357 T C 0.723 175.341 174.700 -0.137 0.000 1.074 357 T CA -0.132 61.881 62.100 -0.145 0.000 0.988 357 T CB -0.079 68.740 68.868 -0.080 0.000 0.988 357 T HN -0.145 nan 8.240 nan 0.000 0.530 358 K N 2.223 122.448 120.400 -0.293 0.000 2.182 358 K HA 0.573 4.924 4.320 0.050 0.000 0.262 358 K C -0.322 176.107 176.600 -0.285 0.000 0.957 358 K CA -0.823 55.166 56.287 -0.497 0.000 0.842 358 K CB 2.179 34.267 32.500 -0.686 0.000 1.099 358 K HN 0.307 nan 8.250 nan 0.000 0.438 359 L N -0.280 120.912 121.223 -0.052 0.000 2.387 359 L HA 0.635 5.005 4.340 0.050 0.000 0.266 359 L C -0.045 176.650 176.870 -0.291 0.000 1.059 359 L CA -0.455 54.309 54.840 -0.126 0.000 0.801 359 L CB 0.330 42.389 42.059 -0.000 0.000 1.223 359 L HN 0.445 nan 8.230 nan 0.000 0.456 360 I N 1.745 122.230 120.570 -0.142 0.000 2.306 360 I HA 0.357 4.557 4.170 0.050 0.000 0.288 360 I C -2.092 174.031 176.117 0.011 0.000 1.036 360 I CA -1.680 59.581 61.300 -0.064 0.000 1.221 360 I CB 0.921 38.906 38.000 -0.025 0.000 1.385 360 I HN 0.467 nan 8.210 nan 0.000 0.472 361 P HA 0.044 nan 4.420 nan 0.000 0.265 361 P C 0.317 177.672 177.300 0.093 0.000 1.193 361 P CA 0.012 63.145 63.100 0.056 0.000 0.765 361 P CB 0.617 32.337 31.700 0.034 0.000 0.823 362 E N 1.662 121.926 120.200 0.108 0.000 2.265 362 E HA -0.195 4.185 4.350 0.050 0.000 0.196 362 E C 1.384 178.033 176.600 0.081 0.000 0.996 362 E CA 0.789 57.241 56.400 0.088 0.000 0.832 362 E CB -0.020 29.732 29.700 0.086 0.000 0.756 362 E HN 0.513 nan 8.360 nan 0.000 0.491 363 E N 0.478 120.728 120.200 0.082 0.000 2.153 363 E HA -0.136 4.244 4.350 0.050 0.000 0.194 363 E C 2.092 178.753 176.600 0.102 0.000 0.988 363 E CA 0.742 57.189 56.400 0.078 0.000 0.811 363 E CB 0.052 29.791 29.700 0.067 0.000 0.746 363 E HN 0.366 nan 8.360 nan 0.000 0.466 364 L N -0.293 121.010 121.223 0.134 0.000 2.168 364 L HA 0.032 4.402 4.340 0.050 0.000 0.203 364 L C 0.680 177.671 176.870 0.202 0.000 1.078 364 L CA 0.481 55.443 54.840 0.203 0.000 0.780 364 L CB 0.310 42.557 42.059 0.314 0.000 0.939 364 L HN -0.195 nan 8.230 nan 0.000 0.451 365 V N 1.476 121.478 119.914 0.147 0.000 2.419 365 V HA 0.327 4.477 4.120 0.050 0.000 0.287 365 V C -2.327 173.813 176.094 0.076 0.000 1.017 365 V CA -1.443 60.930 62.300 0.122 0.000 0.844 365 V CB 1.597 33.482 31.823 0.103 0.000 1.011 365 V HN -0.027 nan 8.190 nan 0.000 0.429 366 P HA 0.239 nan 4.420 nan 0.000 0.274 366 P C -0.421 176.879 177.300 0.001 0.000 1.237 366 P CA -0.166 62.954 63.100 0.034 0.000 0.793 366 P CB 1.533 33.257 31.700 0.040 0.000 0.977 367 V N 2.691 122.573 119.914 -0.054 0.000 2.408 367 V HA 0.094 4.244 4.120 0.050 0.000 0.267 367 V C 0.921 177.000 176.094 -0.025 0.000 1.047 367 V CA 0.010 62.245 62.300 -0.109 0.000 0.937 367 V CB 0.195 31.862 31.823 -0.260 0.000 0.999 367 V HN 0.553 nan 8.190 nan 0.000 0.472 368 Q N 5.640 125.446 119.800 0.011 0.000 2.288 368 Q HA 0.297 4.667 4.340 0.050 0.000 0.258 368 Q C -0.198 175.780 176.000 -0.037 0.000 0.957 368 Q CA -0.537 55.272 55.803 0.009 0.000 0.919 368 Q CB 0.607 29.363 28.738 0.030 0.000 1.185 368 Q HN 0.647 nan 8.270 nan 0.000 0.408 369 R N 3.014 123.525 120.500 0.019 0.000 2.267 369 R HA 0.162 4.532 4.340 0.050 0.000 0.319 369 R C 0.167 176.488 176.300 0.035 0.000 1.067 369 R CA -0.348 55.792 56.100 0.066 0.000 0.936 369 R CB 1.061 31.490 30.300 0.216 0.000 1.006 369 R HN 0.476 nan 8.270 nan 0.000 0.452 370 V N 1.530 121.314 119.914 -0.217 0.000 3.484 370 V HA 0.307 4.457 4.120 0.050 0.000 0.252 370 V C 0.691 176.467 176.094 -0.530 0.000 1.282 370 V CA 1.049 63.128 62.300 -0.367 0.000 1.104 370 V CB 1.119 32.472 31.823 -0.782 0.000 0.868 370 V HN 1.027 nan 8.190 nan 0.000 0.457 371 G N -0.295 108.012 108.800 -0.822 0.000 2.441 371 G HA2 0.467 4.457 3.960 0.050 0.000 0.294 371 G HA3 0.467 4.457 3.960 0.050 0.000 0.294 371 G C -1.792 172.729 174.900 -0.632 0.000 1.393 371 G CA -0.564 43.884 45.100 -1.088 0.000 0.796 371 G HN 0.020 nan 8.290 nan 0.000 0.494 372 K N -0.369 119.758 120.400 -0.456 0.000 2.427 372 K HA 0.716 5.066 4.320 0.050 0.000 0.252 372 K C -0.791 175.872 176.600 0.105 0.000 0.931 372 K CA -0.803 55.502 56.287 0.031 0.000 0.793 372 K CB 2.113 34.683 32.500 0.117 0.000 1.211 372 K HN 0.631 nan 8.250 nan 0.000 0.426 373 M N 4.405 124.198 119.600 0.321 0.000 2.436 373 M HA 0.467 4.977 4.480 0.050 0.000 0.331 373 M C -1.707 174.570 176.300 -0.039 0.000 1.135 373 M CA -0.730 54.673 55.300 0.172 0.000 0.987 373 M CB 1.735 34.439 32.600 0.174 0.000 1.687 373 M HN 0.369 nan 8.290 nan 0.000 0.445 374 V N 6.037 125.774 119.914 -0.295 0.000 2.577 374 V HA 0.408 4.558 4.120 0.050 0.000 0.303 374 V C -0.717 175.238 176.094 -0.232 0.000 1.042 374 V CA -0.703 61.432 62.300 -0.274 0.000 0.872 374 V CB 1.855 33.383 31.823 -0.492 0.000 0.998 374 V HN 0.811 nan 8.190 nan 0.000 0.423 375 L N 5.457 126.626 121.223 -0.090 0.000 2.259 375 L HA 0.475 4.845 4.340 0.050 0.000 0.288 375 L C 0.533 177.297 176.870 -0.177 0.000 1.051 375 L CA -0.299 54.490 54.840 -0.085 0.000 0.824 375 L CB 0.866 42.927 42.059 0.004 0.000 1.206 375 L HN 0.876 nan 8.230 nan 0.000 0.429 376 N N 2.386 120.894 118.700 -0.320 0.000 2.170 376 N HA 0.117 4.887 4.740 0.050 0.000 0.222 376 N C 0.048 175.360 175.510 -0.330 0.000 1.218 376 N CA -0.343 52.267 53.050 -0.733 0.000 0.889 376 N CB 0.747 38.547 38.487 -1.145 0.000 1.083 376 N HN 0.445 nan 8.380 nan 0.000 0.520 377 R N 0.298 120.716 120.500 -0.136 0.000 2.535 377 R HA 0.308 4.678 4.340 0.050 0.000 0.274 377 R C -1.261 174.989 176.300 -0.083 0.000 1.090 377 R CA -0.554 55.491 56.100 -0.091 0.000 0.930 377 R CB 1.240 31.497 30.300 -0.072 0.000 1.223 377 R HN 0.059 nan 8.270 nan 0.000 0.441 378 N N 3.193 121.725 118.700 -0.281 0.000 2.424 378 N HA 0.300 5.070 4.740 0.050 0.000 0.257 378 N C -2.300 173.137 175.510 -0.122 0.000 1.250 378 N CA -1.238 51.507 53.050 -0.509 0.000 0.946 378 N CB 0.552 38.085 38.487 -1.591 0.000 1.175 378 N HN 0.322 nan 8.380 nan 0.000 0.477 379 P HA 0.116 nan 4.420 nan 0.000 0.273 379 P C 0.134 177.615 177.300 0.302 0.000 1.250 379 P CA -0.102 63.182 63.100 0.306 0.000 0.793 379 P CB 0.965 32.897 31.700 0.386 0.000 1.011 380 D N -0.985 119.569 120.400 0.255 0.000 2.201 380 D HA -0.025 4.646 4.640 0.050 0.000 0.209 380 D C 0.438 176.915 176.300 0.295 0.000 0.961 380 D CA 1.401 55.550 54.000 0.249 0.000 0.861 380 D CB 0.198 41.085 40.800 0.145 0.000 0.997 380 D HN 0.385 nan 8.370 nan 0.000 0.486 381 N N -0.202 118.667 118.700 0.281 0.000 2.461 381 N HA 0.002 4.772 4.740 0.050 0.000 0.284 381 N C 0.037 175.759 175.510 0.354 0.000 1.049 381 N CA -0.333 52.894 53.050 0.295 0.000 0.889 381 N CB 1.433 40.059 38.487 0.232 0.000 1.365 381 N HN -0.165 nan 8.380 nan 0.000 0.499 382 F N 4.470 124.574 119.950 0.258 0.000 2.069 382 F HA -0.183 4.374 4.527 0.050 0.000 0.298 382 F C 1.706 177.639 175.800 0.223 0.000 1.113 382 F CA 1.560 59.715 58.000 0.259 0.000 1.214 382 F CB -0.140 38.988 39.000 0.213 0.000 0.978 382 F HN 0.600 nan 8.300 nan 0.000 0.474 383 F N 0.925 121.129 119.950 0.423 0.000 2.095 383 F HA -0.164 4.394 4.527 0.052 0.000 0.298 383 F C 2.245 178.110 175.800 0.108 0.000 1.104 383 F CA 1.831 59.991 58.000 0.267 0.000 1.232 383 F CB -0.889 38.240 39.000 0.216 0.000 0.987 383 F HN 0.001 nan 8.300 nan 0.000 0.475 384 A N -0.547 122.400 122.820 0.212 0.000 1.968 384 A HA -0.086 4.264 4.320 0.050 0.000 0.217 384 A C 2.053 179.573 177.584 -0.106 0.000 1.169 384 A CA 1.759 53.836 52.037 0.067 0.000 0.638 384 A CB -0.536 18.564 19.000 0.165 0.000 0.812 384 A HN 0.582 nan 8.150 nan 0.000 0.446 385 E N -1.300 118.853 120.200 -0.079 0.000 2.206 385 E HA -0.043 4.337 4.350 0.050 0.000 0.195 385 E C 1.877 178.394 176.600 -0.138 0.000 0.935 385 E CA 0.308 56.599 56.400 -0.181 0.000 0.875 385 E CB -0.100 29.541 29.700 -0.099 0.000 0.841 385 E HN 0.525 nan 8.360 nan 0.000 0.477 386 N N 1.401 120.018 118.700 -0.137 0.000 2.124 386 N HA -0.163 4.607 4.740 0.050 0.000 0.188 386 N C 1.834 177.177 175.510 -0.279 0.000 1.045 386 N CA 1.350 54.259 53.050 -0.236 0.000 0.846 386 N CB 0.102 38.036 38.487 -0.922 0.000 1.020 386 N HN -0.059 nan 8.380 nan 0.000 0.432 387 E N 0.835 120.798 120.200 -0.394 0.000 2.110 387 E HA -0.084 4.296 4.350 0.050 0.000 0.193 387 E C 1.604 178.025 176.600 -0.298 0.000 0.988 387 E CA 1.386 57.636 56.400 -0.250 0.000 0.804 387 E CB -0.128 29.440 29.700 -0.219 0.000 0.745 387 E HN 0.477 nan 8.360 nan 0.000 0.458 388 Q N -0.358 119.197 119.800 -0.408 0.000 2.403 388 Q HA 0.253 4.623 4.340 0.050 0.000 0.203 388 Q C -0.052 175.838 176.000 -0.183 0.000 0.932 388 Q CA 0.196 55.808 55.803 -0.318 0.000 0.945 388 Q CB 0.514 29.037 28.738 -0.358 0.000 1.045 388 Q HN 0.211 nan 8.270 nan 0.000 0.511 389 A N 1.100 123.838 122.820 -0.136 0.000 2.462 389 A HA 0.475 4.825 4.320 0.050 0.000 0.243 389 A C -0.174 177.320 177.584 -0.150 0.000 1.076 389 A CA 0.117 52.059 52.037 -0.159 0.000 0.773 389 A CB 0.285 19.290 19.000 0.009 0.000 1.010 389 A HN 0.265 nan 8.150 nan 0.000 0.493 390 A N 2.352 125.021 122.820 -0.251 0.000 2.311 390 A HA 0.713 5.064 4.320 0.050 0.000 0.306 390 A C -0.777 176.688 177.584 -0.197 0.000 1.189 390 A CA -0.395 51.562 52.037 -0.133 0.000 0.791 390 A CB 0.292 19.218 19.000 -0.124 0.000 1.172 390 A HN 0.645 nan 8.150 nan 0.000 0.481 391 F N 0.774 120.730 119.950 0.010 0.000 2.507 391 F HA 0.671 5.223 4.527 0.041 0.000 0.327 391 F C 0.315 176.090 175.800 -0.043 0.000 1.068 391 F CA -0.103 57.879 58.000 -0.030 0.000 0.965 391 F CB 2.113 41.041 39.000 -0.120 0.000 1.192 391 F HN 0.755 nan 8.300 nan 0.000 0.476 392 H N 2.783 121.709 119.070 -0.241 0.000 3.087 392 H HA 0.271 4.848 4.556 0.034 0.000 0.348 392 H C -2.437 172.525 175.328 -0.611 0.000 1.092 392 H CA -1.734 53.947 56.048 -0.612 0.000 1.285 392 H CB 2.677 32.012 29.762 -0.712 0.000 1.875 392 H HN 0.175 nan 8.280 nan 0.000 0.512 393 P HA -0.033 nan 4.420 nan 0.000 0.225 393 P C 1.148 178.342 177.300 -0.176 0.000 1.148 393 P CA 1.404 64.190 63.100 -0.524 0.000 0.779 393 P CB 0.093 31.521 31.700 -0.453 0.000 0.780 394 G N -1.023 107.501 108.800 -0.460 0.000 2.598 394 G HA2 -0.154 3.836 3.960 0.050 0.000 0.215 394 G HA3 -0.154 3.836 3.960 0.050 0.000 0.215 394 G C 0.472 175.622 174.900 0.418 0.000 1.131 394 G CA -0.032 45.175 45.100 0.177 0.000 0.785 394 G HN 0.445 nan 8.290 nan 0.000 0.539 395 H N 0.812 120.015 119.070 0.222 0.000 3.216 395 H HA 0.317 4.908 4.556 0.058 0.000 0.263 395 H C 0.620 176.060 175.328 0.187 0.000 1.601 395 H CA -0.739 55.404 56.048 0.157 0.000 1.509 395 H CB -0.138 29.685 29.762 0.100 0.000 1.759 395 H HN 0.384 nan 8.280 nan 0.000 0.533 396 I N -0.446 120.251 120.570 0.212 0.000 3.217 396 I HA 0.685 4.885 4.170 0.050 0.000 0.308 396 I C -0.126 175.968 176.117 -0.038 0.000 1.091 396 I CA -1.402 59.932 61.300 0.057 0.000 1.013 396 I CB 1.885 39.811 38.000 -0.123 0.000 1.250 396 I HN 0.109 nan 8.210 nan 0.000 0.496 397 V N -2.269 117.599 119.914 -0.077 0.000 3.102 397 V HA 0.674 4.824 4.120 0.050 0.000 0.312 397 V C -2.845 173.343 176.094 0.157 0.000 1.135 397 V CA -2.525 59.798 62.300 0.039 0.000 1.022 397 V CB 0.993 32.823 31.823 0.012 0.000 1.056 397 V HN 0.628 nan 8.190 nan 0.000 0.436 398 P HA 0.377 nan 4.420 nan 0.000 0.265 398 P C 0.921 178.205 177.300 -0.027 0.000 1.193 398 P CA 1.966 65.124 63.100 0.097 0.000 0.765 398 P CB 0.757 32.495 31.700 0.062 0.000 0.823 399 G N 1.434 110.169 108.800 -0.108 0.000 2.238 399 G HA2 -0.163 3.827 3.960 0.050 0.000 0.217 399 G HA3 -0.163 3.827 3.960 0.050 0.000 0.217 399 G C -0.259 174.538 174.900 -0.172 0.000 0.996 399 G CA -0.379 44.640 45.100 -0.136 0.000 0.632 399 G HN 0.453 nan 8.290 nan 0.000 0.503 400 L N -0.013 121.118 121.223 -0.153 0.000 2.333 400 L HA 0.910 5.280 4.340 0.050 0.000 0.263 400 L C -0.561 176.234 176.870 -0.124 0.000 1.014 400 L CA -1.055 53.677 54.840 -0.180 0.000 0.820 400 L CB 2.170 44.052 42.059 -0.295 0.000 1.352 400 L HN 0.113 nan 8.230 nan 0.000 0.421 401 D N -0.761 119.554 120.400 -0.142 0.000 2.692 401 D HA 0.453 5.123 4.640 0.050 0.000 0.303 401 D C -1.252 174.941 176.300 -0.178 0.000 1.278 401 D CA -0.353 53.514 54.000 -0.221 0.000 0.852 401 D CB 1.922 42.668 40.800 -0.089 0.000 1.375 401 D HN 0.117 nan 8.370 nan 0.000 0.453 402 F N -0.200 119.878 119.950 0.212 0.000 2.321 402 F HA 0.513 5.079 4.527 0.066 0.000 0.318 402 F C 1.502 177.315 175.800 0.022 0.000 1.129 402 F CA -0.214 57.826 58.000 0.067 0.000 1.074 402 F CB 1.088 40.105 39.000 0.027 0.000 1.432 402 F HN 0.227 nan 8.300 nan 0.000 0.502 403 T N -3.312 111.338 114.554 0.160 0.000 2.742 403 T HA 0.307 4.687 4.350 0.050 0.000 0.282 403 T C -0.107 174.632 174.700 0.065 0.000 1.025 403 T CA -0.952 61.230 62.100 0.137 0.000 1.020 403 T CB 1.133 70.060 68.868 0.098 0.000 1.317 403 T HN 0.331 nan 8.240 nan 0.000 0.538 404 N N 1.129 119.869 118.700 0.068 0.000 2.383 404 N HA 0.075 4.845 4.740 0.050 0.000 0.192 404 N C -0.011 175.506 175.510 0.012 0.000 1.141 404 N CA 0.037 53.109 53.050 0.036 0.000 0.851 404 N CB -0.389 38.135 38.487 0.063 0.000 0.976 404 N HN 0.679 nan 8.380 nan 0.000 0.465 405 D N 2.376 122.768 120.400 -0.015 0.000 2.662 405 D HA -0.086 4.584 4.640 0.050 0.000 0.237 405 D C -1.356 174.931 176.300 -0.021 0.000 1.154 405 D CA -0.801 53.206 54.000 0.010 0.000 0.861 405 D CB 1.199 41.943 40.800 -0.094 0.000 1.146 405 D HN 0.168 nan 8.370 nan 0.000 0.518 406 P HA -0.102 nan 4.420 nan 0.000 0.233 406 P C 1.533 178.846 177.300 0.022 0.000 1.167 406 P CA 0.091 63.205 63.100 0.024 0.000 0.770 406 P CB 0.463 32.177 31.700 0.023 0.000 0.837 407 L N -0.313 120.939 121.223 0.047 0.000 2.102 407 L HA -0.000 4.370 4.340 0.050 0.000 0.202 407 L C 2.377 179.153 176.870 -0.157 0.000 1.076 407 L CA 1.216 56.072 54.840 0.026 0.000 0.761 407 L CB -1.554 40.603 42.059 0.164 0.000 0.921 407 L HN -0.162 nan 8.230 nan 0.000 0.444 408 L N -0.527 120.430 121.223 -0.443 0.000 2.012 408 L HA -0.230 4.140 4.340 0.050 0.000 0.210 408 L C 2.466 179.083 176.870 -0.421 0.000 1.073 408 L CA 1.791 56.173 54.840 -0.763 0.000 0.748 408 L CB -0.989 40.425 42.059 -1.074 0.000 0.891 408 L HN 0.374 nan 8.230 nan 0.000 0.431 409 Q N -0.168 119.456 119.800 -0.292 0.000 2.077 409 Q HA -0.193 4.177 4.340 0.050 0.000 0.206 409 Q C 2.089 178.005 176.000 -0.141 0.000 0.989 409 Q CA 1.957 57.631 55.803 -0.214 0.000 0.853 409 Q CB -0.892 27.773 28.738 -0.122 0.000 0.907 409 Q HN 0.703 nan 8.270 nan 0.000 0.418 410 G N 0.357 109.105 108.800 -0.087 0.000 2.421 410 G HA2 -0.199 3.791 3.960 0.050 0.000 0.217 410 G HA3 -0.199 3.791 3.960 0.050 0.000 0.217 410 G C 1.501 176.415 174.900 0.024 0.000 1.143 410 G CA 0.178 45.275 45.100 -0.005 0.000 0.784 410 G HN 0.249 nan 8.290 nan 0.000 0.541 411 R N -0.088 120.375 120.500 -0.062 0.000 2.117 411 R HA -0.005 4.365 4.340 0.050 0.000 0.243 411 R C 2.475 178.857 176.300 0.136 0.000 1.143 411 R CA 0.943 57.064 56.100 0.035 0.000 0.968 411 R CB -0.468 29.814 30.300 -0.029 0.000 0.863 411 R HN 0.344 nan 8.270 nan 0.000 0.444 412 L N -0.467 120.737 121.223 -0.033 0.000 2.127 412 L HA -0.198 4.172 4.340 0.050 0.000 0.211 412 L C 2.289 179.297 176.870 0.230 0.000 1.089 412 L CA 1.093 55.935 54.840 0.003 0.000 0.757 412 L CB -0.456 41.448 42.059 -0.258 0.000 0.899 412 L HN 0.157 nan 8.230 nan 0.000 0.434 413 F N 0.204 120.187 119.950 0.055 0.000 2.146 413 F HA -0.212 4.293 4.527 -0.038 0.000 0.298 413 F C 2.809 178.642 175.800 0.055 0.000 1.096 413 F CA 1.679 59.703 58.000 0.040 0.000 1.275 413 F CB -0.235 38.768 39.000 0.004 0.000 1.008 413 F HN -0.042 nan 8.300 nan 0.000 0.480 414 S N -0.863 114.828 115.700 -0.015 0.000 2.371 414 S HA -0.199 4.301 4.470 0.050 0.000 0.224 414 S C 2.015 176.473 174.600 -0.236 0.000 1.029 414 S CA 1.274 59.362 58.200 -0.186 0.000 0.978 414 S CB -0.792 62.323 63.200 -0.141 0.000 0.833 414 S HN 0.535 nan 8.310 nan 0.000 0.466 415 Y N 1.371 121.668 120.300 -0.004 0.000 2.509 415 Y HA 0.009 4.621 4.550 0.103 0.000 0.293 415 Y C 2.809 178.363 175.900 -0.576 0.000 1.133 415 Y CA 1.150 59.258 58.100 0.013 0.000 1.283 415 Y CB -0.394 39.040 38.460 1.624 0.000 1.001 415 Y HN 0.279 nan 8.280 nan 0.000 0.555 416 T N -0.869 113.284 114.554 -0.668 0.000 2.852 416 T HA -0.143 4.237 4.350 0.050 0.000 0.256 416 T C 1.407 175.883 174.700 -0.373 0.000 1.038 416 T CA 1.417 63.221 62.100 -0.494 0.000 1.141 416 T CB -0.308 68.336 68.868 -0.374 0.000 0.869 416 T HN 0.312 nan 8.240 nan 0.000 0.439 417 D N 0.893 121.013 120.400 -0.466 0.000 2.104 417 D HA -0.122 4.548 4.640 0.050 0.000 0.194 417 D C 2.265 178.398 176.300 -0.279 0.000 0.994 417 D CA 1.576 55.327 54.000 -0.415 0.000 0.830 417 D CB -0.494 39.872 40.800 -0.723 0.000 0.959 417 D HN 0.223 nan 8.370 nan 0.000 0.452 418 T N -0.961 113.421 114.554 -0.287 0.000 2.803 418 T HA -0.148 4.232 4.350 0.050 0.000 0.269 418 T C 1.619 176.193 174.700 -0.209 0.000 1.052 418 T CA 1.273 63.251 62.100 -0.204 0.000 1.136 418 T CB -0.213 68.534 68.868 -0.203 0.000 0.864 418 T HN 0.165 nan 8.240 nan 0.000 0.467 419 Q N 0.555 120.156 119.800 -0.330 0.000 2.291 419 Q HA 0.029 4.399 4.340 0.050 0.000 0.205 419 Q C 2.281 178.170 176.000 -0.186 0.000 0.970 419 Q CA 0.587 56.146 55.803 -0.406 0.000 0.876 419 Q CB -0.384 27.722 28.738 -1.053 0.000 0.935 419 Q HN 0.526 nan 8.270 nan 0.000 0.455 420 I N 1.197 121.707 120.570 -0.100 0.000 2.208 420 I HA -0.230 3.970 4.170 0.050 0.000 0.245 420 I C 2.338 178.464 176.117 0.016 0.000 1.097 420 I CA 1.795 63.100 61.300 0.009 0.000 1.363 420 I CB -1.432 36.577 38.000 0.015 0.000 1.051 420 I HN 0.194 nan 8.210 nan 0.000 0.413 421 S N 0.457 116.149 115.700 -0.012 0.000 2.404 421 S HA -0.083 4.417 4.470 0.050 0.000 0.223 421 S C 2.170 176.772 174.600 0.003 0.000 1.040 421 S CA 0.229 58.434 58.200 0.008 0.000 0.957 421 S CB -0.391 62.813 63.200 0.007 0.000 0.826 421 S HN 0.315 nan 8.310 nan 0.000 0.491 422 R N 0.917 121.397 120.500 -0.034 0.000 2.081 422 R HA 0.148 4.518 4.340 0.050 0.000 0.235 422 R C 1.390 177.676 176.300 -0.023 0.000 1.131 422 R CA 1.446 57.526 56.100 -0.033 0.000 0.960 422 R CB -0.232 30.025 30.300 -0.072 0.000 0.856 422 R HN 0.445 nan 8.270 nan 0.000 0.436 423 L N -0.973 120.228 121.223 -0.036 0.000 2.857 423 L HA 0.325 4.696 4.340 0.050 0.000 0.249 423 L C 0.826 177.727 176.870 0.053 0.000 1.172 423 L CA 0.315 55.149 54.840 -0.009 0.000 0.980 423 L CB 1.180 43.227 42.059 -0.019 0.000 1.299 423 L HN 0.582 nan 8.230 nan 0.000 0.535 424 G N -0.018 108.833 108.800 0.084 0.000 2.176 424 G HA2 -0.121 3.869 3.960 0.050 0.000 0.253 424 G HA3 -0.121 3.869 3.960 0.050 0.000 0.253 424 G C 0.462 175.500 174.900 0.228 0.000 0.979 424 G CA -0.027 45.179 45.100 0.176 0.000 0.641 424 G HN 0.799 nan 8.290 nan 0.000 0.530 425 G N -1.527 107.392 108.800 0.199 0.000 2.359 425 G HA2 0.579 4.569 3.960 0.050 0.000 0.293 425 G HA3 0.579 4.569 3.960 0.050 0.000 0.293 425 G C -2.164 172.895 174.900 0.265 0.000 1.300 425 G CA 0.374 45.591 45.100 0.195 0.000 0.888 425 G HN 0.508 nan 8.290 nan 0.000 0.541 426 P HA 0.124 nan 4.420 nan 0.000 0.249 426 P C 0.296 177.622 177.300 0.043 0.000 1.229 426 P CA 0.329 63.539 63.100 0.183 0.000 0.788 426 P CB 0.199 31.960 31.700 0.101 0.000 1.072 427 N N 0.429 119.165 118.700 0.060 0.000 2.327 427 N HA 0.061 4.832 4.740 0.050 0.000 0.231 427 N C 1.050 176.445 175.510 -0.192 0.000 1.130 427 N CA -0.183 52.806 53.050 -0.102 0.000 0.845 427 N CB -0.642 37.814 38.487 -0.052 0.000 1.073 427 N HN 0.267 nan 8.380 nan 0.000 0.496 428 F N 0.827 120.785 119.950 0.013 0.000 2.333 428 F HA -0.101 4.468 4.527 0.070 0.000 0.300 428 F C 2.268 178.021 175.800 -0.078 0.000 1.083 428 F CA 0.841 58.815 58.000 -0.043 0.000 1.395 428 F CB -0.801 38.185 39.000 -0.023 0.000 1.056 428 F HN 0.173 nan 8.300 nan 0.000 0.529 429 H N 0.558 119.249 119.070 -0.632 0.000 2.521 429 H HA 0.010 4.595 4.556 0.048 0.000 0.286 429 H C 0.961 176.133 175.328 -0.259 0.000 1.034 429 H CA 1.459 57.242 56.048 -0.443 0.000 1.278 429 H CB -0.818 28.546 29.762 -0.663 0.000 1.386 429 H HN 0.536 nan 8.280 nan 0.000 0.567 430 E N 0.916 120.698 120.200 -0.697 0.000 2.442 430 E HA 0.153 4.533 4.350 0.050 0.000 0.195 430 E C 0.435 176.919 176.600 -0.194 0.000 1.030 430 E CA -0.247 55.903 56.400 -0.416 0.000 0.869 430 E CB 0.430 29.892 29.700 -0.397 0.000 0.857 430 E HN 0.436 nan 8.360 nan 0.000 0.505 431 I N 2.732 123.212 120.570 -0.151 0.000 2.668 431 I HA -0.066 4.134 4.170 0.050 0.000 0.285 431 I C -1.573 174.485 176.117 -0.098 0.000 1.168 431 I CA -1.274 59.969 61.300 -0.096 0.000 1.424 431 I CB 0.544 38.501 38.000 -0.071 0.000 1.377 431 I HN -0.195 nan 8.210 nan 0.000 0.560 432 P HA -0.233 nan 4.420 nan 0.000 0.215 432 P C 1.725 178.954 177.300 -0.118 0.000 1.157 432 P CA 1.237 64.281 63.100 -0.094 0.000 0.874 432 P CB 0.173 31.823 31.700 -0.084 0.000 0.790 433 I N -0.808 119.664 120.570 -0.163 0.000 2.454 433 I HA -0.165 4.035 4.170 0.050 0.000 0.254 433 I C 1.309 177.352 176.117 -0.124 0.000 1.156 433 I CA 1.655 62.809 61.300 -0.243 0.000 1.433 433 I CB -0.663 37.076 38.000 -0.435 0.000 1.082 433 I HN -0.114 nan 8.210 nan 0.000 0.432 434 N N 0.692 119.335 118.700 -0.094 0.000 2.422 434 N HA 0.032 4.802 4.740 0.050 0.000 0.181 434 N C 0.350 175.869 175.510 0.016 0.000 1.080 434 N CA 0.212 53.235 53.050 -0.045 0.000 0.893 434 N CB -0.101 38.378 38.487 -0.014 0.000 0.973 434 N HN 0.377 nan 8.380 nan 0.000 0.456 435 R N 1.582 122.089 120.500 0.011 0.000 2.537 435 R HA 0.145 4.516 4.340 0.050 0.000 0.280 435 R C -2.180 174.189 176.300 0.115 0.000 1.058 435 R CA -1.130 54.982 56.100 0.021 0.000 1.057 435 R CB -0.036 30.259 30.300 -0.007 0.000 0.973 435 R HN 0.036 nan 8.270 nan 0.000 0.438 436 P HA -0.004 nan 4.420 nan 0.000 0.272 436 P C 0.525 177.908 177.300 0.139 0.000 1.223 436 P CA -0.033 63.152 63.100 0.142 0.000 0.784 436 P CB 0.713 32.454 31.700 0.068 0.000 0.923 437 T N -2.028 112.624 114.554 0.163 0.000 3.051 437 T HA 0.242 4.623 4.350 0.050 0.000 0.255 437 T C 0.958 175.710 174.700 0.087 0.000 1.085 437 T CA 0.079 62.228 62.100 0.081 0.000 1.109 437 T CB -0.333 68.568 68.868 0.056 0.000 0.921 437 T HN 0.463 nan 8.240 nan 0.000 0.488 438 A N 2.997 125.882 122.820 0.109 0.000 2.406 438 A HA 0.550 4.900 4.320 0.050 0.000 0.243 438 A C -2.195 175.449 177.584 0.101 0.000 1.082 438 A CA -1.299 50.798 52.037 0.100 0.000 0.786 438 A CB -0.440 18.622 19.000 0.103 0.000 1.029 438 A HN 0.278 nan 8.150 nan 0.000 0.495 439 P HA 0.316 nan 4.420 nan 0.000 0.269 439 P C -1.068 176.300 177.300 0.112 0.000 1.215 439 P CA 0.551 63.712 63.100 0.101 0.000 0.780 439 P CB 0.153 31.963 31.700 0.183 0.000 0.898 440 Y N 0.558 120.738 120.300 -0.201 0.000 2.396 440 Y HA 0.660 5.243 4.550 0.055 0.000 0.332 440 Y C -1.473 174.093 175.900 -0.556 0.000 1.034 440 Y CA -0.898 57.067 58.100 -0.224 0.000 1.057 440 Y CB 1.412 39.774 38.460 -0.165 0.000 1.220 440 Y HN 0.441 nan 8.280 nan 0.000 0.440 441 H N 3.818 122.786 119.070 -0.169 0.000 2.947 441 H HA 0.533 5.120 4.556 0.051 0.000 0.354 441 H C -1.218 173.999 175.328 -0.185 0.000 1.085 441 H CA -0.781 55.084 56.048 -0.304 0.000 1.253 441 H CB 1.688 31.306 29.762 -0.240 0.000 1.757 441 H HN 0.896 nan 8.280 nan 0.000 0.523 442 N N 0.370 118.970 118.700 -0.165 0.000 3.378 442 N HA 0.185 4.955 4.740 0.050 0.000 0.294 442 N C -1.281 174.001 175.510 -0.379 0.000 1.544 442 N CA -0.921 51.979 53.050 -0.250 0.000 0.872 442 N CB 0.697 39.194 38.487 0.016 0.000 1.670 442 N HN 0.305 nan 8.380 nan 0.000 0.551 443 F N -0.371 119.624 119.950 0.074 0.000 2.647 443 F HA 0.374 4.930 4.527 0.048 0.000 0.300 443 F C 0.432 176.274 175.800 0.071 0.000 1.106 443 F CA -0.362 57.674 58.000 0.060 0.000 1.313 443 F CB 0.280 39.306 39.000 0.044 0.000 1.007 443 F HN 0.140 nan 8.300 nan 0.000 0.536 444 Q N 1.490 121.398 119.800 0.179 0.000 2.340 444 Q HA 0.457 4.828 4.340 0.050 0.000 0.249 444 Q C 0.026 176.103 176.000 0.129 0.000 0.957 444 Q CA -0.174 55.714 55.803 0.142 0.000 0.882 444 Q CB 1.152 29.950 28.738 0.099 0.000 1.235 444 Q HN 0.105 nan 8.270 nan 0.000 0.439 445 R N 1.634 122.202 120.500 0.113 0.000 2.774 445 R HA 0.370 4.740 4.340 0.050 0.000 0.272 445 R C -0.733 175.613 176.300 0.076 0.000 1.000 445 R CA -0.639 55.519 56.100 0.096 0.000 0.906 445 R CB 1.264 31.623 30.300 0.098 0.000 1.227 445 R HN 0.728 nan 8.270 nan 0.000 0.468 446 D N -0.194 120.242 120.400 0.061 0.000 3.496 446 D HA -0.153 4.517 4.640 0.050 0.000 0.238 446 D C 0.300 176.625 176.300 0.040 0.000 1.707 446 D CA 1.878 55.903 54.000 0.042 0.000 1.150 446 D CB -1.076 39.746 40.800 0.038 0.000 0.759 446 D HN 0.911 nan 8.370 nan 0.000 0.936 447 G N -1.142 107.674 108.800 0.027 0.000 2.716 447 G HA2 0.191 4.181 3.960 0.050 0.000 0.686 447 G HA3 0.191 4.181 3.960 0.050 0.000 0.686 447 G C -0.173 174.720 174.900 -0.012 0.000 1.337 447 G CA 0.108 45.221 45.100 0.022 0.000 0.829 447 G HN 0.825 nan 8.290 nan 0.000 0.599 448 M N 1.457 121.029 119.600 -0.047 0.000 2.246 448 M HA 0.421 4.931 4.480 0.050 0.000 0.327 448 M C 1.303 177.498 176.300 -0.175 0.000 1.090 448 M CA 1.500 56.674 55.300 -0.210 0.000 1.087 448 M CB -0.641 31.780 32.600 -0.297 0.000 1.587 448 M HN 1.335 nan 8.290 nan 0.000 0.444 449 H N -0.679 118.396 119.070 0.008 0.000 2.839 449 H HA -0.173 4.412 4.556 0.048 0.000 0.298 449 H C -0.500 174.819 175.328 -0.015 0.000 1.224 449 H CA 0.633 56.681 56.048 0.000 0.000 1.144 449 H CB -1.678 28.086 29.762 0.004 0.000 1.372 449 H HN 0.575 nan 8.280 nan 0.000 0.408 450 R N 1.336 121.862 120.500 0.042 0.000 2.296 450 R HA 0.148 4.518 4.340 0.050 0.000 0.323 450 R C 0.913 177.225 176.300 0.019 0.000 1.067 450 R CA -0.140 55.976 56.100 0.026 0.000 0.946 450 R CB 0.353 30.666 30.300 0.021 0.000 0.991 450 R HN 0.259 nan 8.270 nan 0.000 0.448 451 M N 2.500 122.100 119.600 -0.000 0.000 2.276 451 M HA 0.212 4.722 4.480 0.050 0.000 0.262 451 M C 0.964 177.260 176.300 -0.006 0.000 1.098 451 M CA 1.072 56.368 55.300 -0.006 0.000 1.167 451 M CB -0.863 31.719 32.600 -0.031 0.000 1.337 451 M HN 0.699 nan 8.290 nan 0.000 0.446 452 G N 1.832 110.629 108.800 -0.004 0.000 2.365 452 G HA2 0.404 4.394 3.960 0.050 0.000 0.249 452 G HA3 0.404 4.394 3.960 0.050 0.000 0.249 452 G C -0.363 174.535 174.900 -0.003 0.000 1.288 452 G CA -0.391 44.705 45.100 -0.007 0.000 0.887 452 G HN 0.324 nan 8.290 nan 0.000 0.524 453 I N 2.893 123.456 120.570 -0.012 0.000 2.337 453 I HA 0.107 4.307 4.170 0.050 0.000 0.285 453 I C -0.307 175.804 176.117 -0.010 0.000 1.041 453 I CA -0.581 60.717 61.300 -0.004 0.000 1.199 453 I CB 0.969 38.967 38.000 -0.004 0.000 1.370 453 I HN 0.354 nan 8.210 nan 0.000 0.470 454 D N 4.728 125.127 120.400 -0.002 0.000 2.390 454 D HA 0.055 4.725 4.640 0.050 0.000 0.249 454 D C 1.240 177.543 176.300 0.006 0.000 1.144 454 D CA 0.279 54.276 54.000 -0.005 0.000 0.880 454 D CB 1.878 42.683 40.800 0.009 0.000 1.182 454 D HN 0.570 nan 8.370 nan 0.000 0.451 455 T N -0.722 113.831 114.554 -0.001 0.000 3.040 455 T HA -0.063 4.317 4.350 0.050 0.000 0.250 455 T C 0.854 175.564 174.700 0.016 0.000 1.058 455 T CA -0.510 61.593 62.100 0.005 0.000 0.988 455 T CB 0.173 69.037 68.868 -0.006 0.000 0.993 455 T HN 0.124 nan 8.240 nan 0.000 0.519 456 N N 3.339 122.051 118.700 0.019 0.000 2.359 456 N HA 0.082 4.852 4.740 0.050 0.000 0.261 456 N C -1.661 173.889 175.510 0.068 0.000 1.267 456 N CA -1.469 51.606 53.050 0.042 0.000 0.864 456 N CB 1.392 39.905 38.487 0.045 0.000 1.063 456 N HN 0.063 nan 8.380 nan 0.000 0.474 457 P HA -0.006 nan 4.420 nan 0.000 0.220 457 P C -0.558 176.801 177.300 0.099 0.000 1.148 457 P CA 0.900 64.045 63.100 0.076 0.000 0.803 457 P CB 0.198 31.938 31.700 0.067 0.000 0.782 458 A N 0.706 123.572 122.820 0.076 0.000 2.312 458 A HA 0.400 4.750 4.320 0.050 0.000 0.326 458 A C 0.460 178.130 177.584 0.143 0.000 1.172 458 A CA -0.645 51.380 52.037 -0.020 0.000 0.821 458 A CB -0.028 18.776 19.000 -0.327 0.000 1.166 458 A HN 0.269 nan 8.150 nan 0.000 0.493 459 N N 0.247 119.059 118.700 0.187 0.000 2.338 459 N HA 0.373 5.143 4.740 0.050 0.000 0.251 459 N C -0.889 174.754 175.510 0.223 0.000 1.199 459 N CA -0.382 52.863 53.050 0.325 0.000 0.879 459 N CB 0.291 38.936 38.487 0.263 0.000 1.159 459 N HN 0.678 nan 8.380 nan 0.000 0.514 460 Y N -1.191 118.960 120.300 -0.249 0.000 2.609 460 Y HA 0.672 5.251 4.550 0.049 0.000 0.336 460 Y C -1.467 173.837 175.900 -0.993 0.000 1.129 460 Y CA -1.381 56.424 58.100 -0.491 0.000 1.040 460 Y CB 1.007 39.339 38.460 -0.213 0.000 1.310 460 Y HN 0.088 nan 8.280 nan 0.000 0.460 461 E N 0.898 120.622 120.200 -0.792 0.000 2.383 461 E HA 0.659 5.039 4.350 0.050 0.000 0.275 461 E C -3.169 173.323 176.600 -0.179 0.000 0.918 461 E CA -2.082 53.960 56.400 -0.598 0.000 0.764 461 E CB 1.607 30.902 29.700 -0.675 0.000 1.252 461 E HN 0.551 nan 8.360 nan 0.000 0.449 462 P HA 0.250 nan 4.420 nan 0.000 0.271 462 P C -1.256 176.002 177.300 -0.069 0.000 1.216 462 P CA -0.369 62.668 63.100 -0.104 0.000 0.776 462 P CB 0.409 32.080 31.700 -0.047 0.000 0.881 463 N N -1.177 117.411 118.700 -0.186 0.000 2.262 463 N HA 0.348 5.118 4.740 0.050 0.000 0.295 463 N C 0.365 175.836 175.510 -0.065 0.000 1.161 463 N CA -0.761 52.195 53.050 -0.157 0.000 0.767 463 N CB 1.460 39.576 38.487 -0.618 0.000 1.499 463 N HN 0.188 nan 8.380 nan 0.000 0.476 464 S N 0.681 116.388 115.700 0.012 0.000 2.483 464 S HA -0.014 4.486 4.470 0.050 0.000 0.221 464 S C 1.574 176.191 174.600 0.029 0.000 1.030 464 S CA 0.069 58.277 58.200 0.014 0.000 0.925 464 S CB -0.804 62.414 63.200 0.030 0.000 0.795 464 S HN 0.709 nan 8.310 nan 0.000 0.511 465 I N -0.668 119.927 120.570 0.042 0.000 2.830 465 I HA 0.196 4.396 4.170 0.050 0.000 0.263 465 I C 1.290 177.440 176.117 0.056 0.000 1.230 465 I CA 1.276 62.610 61.300 0.057 0.000 1.480 465 I CB -0.417 37.635 38.000 0.086 0.000 1.095 465 I HN 0.164 nan 8.210 nan 0.000 0.455 466 N N 1.264 119.994 118.700 0.050 0.000 2.338 466 N HA 0.039 4.809 4.740 0.050 0.000 0.251 466 N C -0.090 175.531 175.510 0.186 0.000 1.199 466 N CA -0.066 53.054 53.050 0.118 0.000 0.879 466 N CB -0.092 38.477 38.487 0.138 0.000 1.159 466 N HN 0.174 nan 8.380 nan 0.000 0.514 467 D N 0.818 121.278 120.400 0.101 0.000 2.737 467 D HA -0.269 4.402 4.640 0.050 0.000 0.233 467 D C 0.007 176.209 176.300 -0.164 0.000 1.155 467 D CA 1.103 55.126 54.000 0.039 0.000 0.667 467 D CB -1.216 39.688 40.800 0.173 0.000 1.060 467 D HN 0.511 nan 8.370 nan 0.000 0.427 468 N N -1.836 116.794 118.700 -0.116 0.000 2.878 468 N HA -0.246 4.524 4.740 0.050 0.000 0.247 468 N C -0.786 174.652 175.510 -0.120 0.000 1.021 468 N CA 1.386 54.337 53.050 -0.166 0.000 0.873 468 N CB -1.342 37.001 38.487 -0.240 0.000 1.128 468 N HN 0.505 nan 8.380 nan 0.000 0.571 469 W N 1.362 122.714 121.300 0.087 0.000 2.313 469 W HA 0.430 5.120 4.660 0.049 0.000 0.328 469 W C -1.630 174.932 176.519 0.071 0.000 1.197 469 W CA -1.486 55.891 57.345 0.054 0.000 1.235 469 W CB 0.450 29.892 29.460 -0.032 0.000 1.158 469 W HN -0.024 nan 8.180 nan 0.000 0.578 470 P HA 0.202 nan 4.420 nan 0.000 0.275 470 P C -0.688 176.735 177.300 0.205 0.000 1.228 470 P CA -0.152 63.080 63.100 0.220 0.000 0.786 470 P CB 1.033 32.714 31.700 -0.032 0.000 0.927 471 R N 1.182 121.778 120.500 0.158 0.000 2.604 471 R HA 0.302 4.673 4.340 0.050 0.000 0.287 471 R C 0.354 176.679 176.300 0.041 0.000 0.970 471 R CA -0.813 55.258 56.100 -0.049 0.000 0.946 471 R CB 1.114 31.150 30.300 -0.439 0.000 1.127 471 R HN 0.490 nan 8.270 nan 0.000 0.473 472 E N 0.710 120.928 120.200 0.030 0.000 2.459 472 E HA -0.013 4.367 4.350 0.050 0.000 0.264 472 E C -0.539 176.080 176.600 0.031 0.000 1.055 472 E CA 0.783 57.210 56.400 0.045 0.000 0.957 472 E CB 0.542 30.260 29.700 0.030 0.000 0.952 472 E HN 0.366 nan 8.360 nan 0.000 0.448 473 T N 3.467 118.052 114.554 0.052 0.000 2.841 473 T HA 0.349 4.729 4.350 0.050 0.000 0.285 473 T C -2.437 172.287 174.700 0.039 0.000 0.991 473 T CA -1.558 60.571 62.100 0.049 0.000 0.966 473 T CB 1.509 70.419 68.868 0.069 0.000 0.962 473 T HN 0.230 nan 8.240 nan 0.000 0.438 474 P HA 0.242 nan 4.420 nan 0.000 0.269 474 P C -2.390 174.916 177.300 0.010 0.000 1.215 474 P CA -1.213 61.895 63.100 0.013 0.000 0.780 474 P CB -0.240 31.462 31.700 0.004 0.000 0.898 475 P HA 0.260 nan 4.420 nan 0.000 0.269 475 P C -0.120 177.167 177.300 -0.021 0.000 1.215 475 P CA 0.341 63.425 63.100 -0.026 0.000 0.780 475 P CB 0.766 32.429 31.700 -0.061 0.000 0.898 476 G N 1.037 109.822 108.800 -0.024 0.000 2.488 476 G HA2 0.397 4.387 3.960 0.050 0.000 0.301 476 G HA3 0.397 4.387 3.960 0.050 0.000 0.301 476 G C -2.581 172.307 174.900 -0.020 0.000 1.339 476 G CA -0.724 44.366 45.100 -0.017 0.000 0.803 476 G HN 0.165 nan 8.290 nan 0.000 0.482 477 P HA 0.107 nan 4.420 nan 0.000 0.229 477 P C 0.184 177.478 177.300 -0.009 0.000 1.160 477 P CA 1.060 64.150 63.100 -0.017 0.000 0.777 477 P CB 0.419 32.112 31.700 -0.012 0.000 0.814 478 K N -0.954 119.448 120.400 0.002 0.000 2.569 478 K HA 0.300 4.650 4.320 0.050 0.000 0.259 478 K C -0.268 176.348 176.600 0.026 0.000 0.932 478 K CA -0.692 55.604 56.287 0.015 0.000 0.833 478 K CB 1.124 33.634 32.500 0.016 0.000 1.340 478 K HN -0.405 nan 8.250 nan 0.000 0.429 479 R N -0.024 120.499 120.500 0.039 0.000 3.758 479 R HA -0.145 4.226 4.340 0.050 0.000 0.299 479 R C -0.089 176.241 176.300 0.050 0.000 1.182 479 R CA 1.139 57.269 56.100 0.050 0.000 0.809 479 R CB -2.321 28.008 30.300 0.048 0.000 1.249 479 R HN 0.852 nan 8.270 nan 0.000 0.497 480 G N -0.895 107.929 108.800 0.040 0.000 2.488 480 G HA2 0.616 4.606 3.960 0.050 0.000 0.318 480 G HA3 0.616 4.606 3.960 0.050 0.000 0.318 480 G C 0.361 175.295 174.900 0.057 0.000 1.188 480 G CA 0.067 45.190 45.100 0.038 0.000 0.944 480 G HN 0.253 nan 8.290 nan 0.000 0.495 481 G N -1.343 107.492 108.800 0.059 0.000 2.606 481 G HA2 0.408 4.398 3.960 0.050 0.000 0.252 481 G HA3 0.408 4.398 3.960 0.050 0.000 0.252 481 G C -0.734 174.225 174.900 0.099 0.000 1.206 481 G CA -0.558 44.600 45.100 0.096 0.000 0.861 481 G HN 0.443 nan 8.290 nan 0.000 0.561 482 F N 0.409 120.372 119.950 0.023 0.000 2.467 482 F HA 0.384 4.944 4.527 0.056 0.000 0.362 482 F C 0.544 176.357 175.800 0.022 0.000 1.090 482 F CA -0.279 57.729 58.000 0.015 0.000 1.202 482 F CB 0.894 39.906 39.000 0.020 0.000 1.113 482 F HN 0.444 nan 8.300 nan 0.000 0.541 483 E N 4.189 124.077 120.200 -0.519 0.000 2.234 483 E HA 0.313 4.693 4.350 0.050 0.000 0.266 483 E C -1.088 175.202 176.600 -0.517 0.000 0.877 483 E CA -0.793 55.430 56.400 -0.295 0.000 0.758 483 E CB 1.490 31.091 29.700 -0.166 0.000 1.170 483 E HN 0.602 nan 8.360 nan 0.000 0.415 484 S N 2.780 118.384 115.700 -0.160 0.000 2.549 484 S HA -0.020 4.480 4.470 0.050 0.000 0.283 484 S C -0.529 174.050 174.600 -0.036 0.000 1.320 484 S CA -0.291 57.889 58.200 -0.032 0.000 1.058 484 S CB 0.066 63.378 63.200 0.185 0.000 0.882 484 S HN 0.472 nan 8.310 nan 0.000 0.498 485 Y N 2.888 123.112 120.300 -0.127 0.000 2.717 485 Y HA -0.043 4.537 4.550 0.049 0.000 0.330 485 Y C 0.913 176.789 175.900 -0.040 0.000 1.217 485 Y CA 0.229 58.270 58.100 -0.099 0.000 1.506 485 Y CB 0.170 38.567 38.460 -0.105 0.000 1.268 485 Y HN 0.588 nan 8.280 nan 0.000 0.561 486 Q N 5.315 124.738 119.800 -0.629 0.000 3.254 486 Q HA 0.023 4.393 4.340 0.050 0.000 0.315 486 Q C -0.192 175.511 176.000 -0.494 0.000 1.405 486 Q CA -0.072 55.479 55.803 -0.420 0.000 0.966 486 Q CB -0.165 28.389 28.738 -0.307 0.000 1.706 486 Q HN 0.659 nan 8.270 nan 0.000 0.525 487 E N 1.473 121.454 120.200 -0.364 0.000 2.413 487 E HA -0.019 4.361 4.350 0.050 0.000 0.263 487 E C -0.211 176.356 176.600 -0.056 0.000 1.015 487 E CA -0.294 56.029 56.400 -0.128 0.000 0.916 487 E CB 0.629 30.396 29.700 0.112 0.000 0.947 487 E HN 0.131 nan 8.360 nan 0.000 0.440 488 R N 3.005 123.497 120.500 -0.014 0.000 2.340 488 R HA 0.237 4.607 4.340 0.050 0.000 0.300 488 R C -1.502 174.819 176.300 0.036 0.000 1.069 488 R CA -0.277 55.824 56.100 0.002 0.000 0.984 488 R CB 0.923 31.231 30.300 0.015 0.000 1.003 488 R HN 0.266 nan 8.270 nan 0.000 0.459 489 V N 4.970 124.899 119.914 0.024 0.000 2.448 489 V HA 0.425 4.575 4.120 0.050 0.000 0.295 489 V C -0.532 175.575 176.094 0.022 0.000 1.025 489 V CA -0.588 61.732 62.300 0.032 0.000 0.859 489 V CB 1.612 33.452 31.823 0.028 0.000 0.988 489 V HN 0.826 nan 8.190 nan 0.000 0.431 490 E N 2.892 123.107 120.200 0.025 0.000 2.274 490 E HA 0.715 5.095 4.350 0.050 0.000 0.269 490 E C -0.078 176.528 176.600 0.010 0.000 0.891 490 E CA -0.425 55.984 56.400 0.014 0.000 0.784 490 E CB 2.424 32.132 29.700 0.013 0.000 1.225 490 E HN 0.972 nan 8.360 nan 0.000 0.412 491 G N 2.408 111.209 108.800 0.002 0.000 2.315 491 G HA2 0.119 4.109 3.960 0.050 0.000 0.294 491 G HA3 0.119 4.109 3.960 0.050 0.000 0.294 491 G C -1.524 173.371 174.900 -0.009 0.000 1.300 491 G CA -1.029 44.068 45.100 -0.004 0.000 0.843 491 G HN 0.366 nan 8.290 nan 0.000 0.527 492 N N 0.060 118.752 118.700 -0.014 0.000 2.489 492 N HA 0.454 5.224 4.740 0.050 0.000 0.284 492 N C -0.276 175.221 175.510 -0.021 0.000 1.158 492 N CA -0.587 52.453 53.050 -0.016 0.000 0.965 492 N CB 1.091 39.568 38.487 -0.018 0.000 1.195 492 N HN 0.438 nan 8.380 nan 0.000 0.506 493 K N 1.063 121.450 120.400 -0.022 0.000 2.307 493 K HA 0.160 4.510 4.320 0.050 0.000 0.285 493 K C -0.668 175.911 176.600 -0.034 0.000 1.073 493 K CA -0.121 56.150 56.287 -0.027 0.000 0.996 493 K CB -0.350 32.135 32.500 -0.025 0.000 0.994 493 K HN 0.357 nan 8.250 nan 0.000 0.452 494 V N 0.242 120.131 119.914 -0.042 0.000 2.925 494 V HA 0.480 4.630 4.120 0.050 0.000 0.311 494 V C -0.541 175.515 176.094 -0.064 0.000 1.104 494 V CA -1.349 60.922 62.300 -0.049 0.000 0.954 494 V CB 2.041 33.836 31.823 -0.046 0.000 1.022 494 V HN 0.601 nan 8.190 nan 0.000 0.427 495 R N 2.432 122.890 120.500 -0.070 0.000 2.369 495 R HA 0.616 4.986 4.340 0.050 0.000 0.310 495 R C -0.505 175.749 176.300 -0.077 0.000 1.141 495 R CA -0.137 55.910 56.100 -0.089 0.000 1.116 495 R CB 0.754 30.988 30.300 -0.111 0.000 1.135 495 R HN 0.930 nan 8.270 nan 0.000 0.529 496 E N 2.093 122.244 120.200 -0.081 0.000 2.335 496 E HA 0.206 4.586 4.350 0.050 0.000 0.280 496 E C -1.341 175.193 176.600 -0.109 0.000 0.918 496 E CA -0.961 55.394 56.400 -0.075 0.000 0.765 496 E CB 1.728 31.389 29.700 -0.065 0.000 1.218 496 E HN 0.152 nan 8.360 nan 0.000 0.425 497 R N 1.564 122.003 120.500 -0.101 0.000 2.441 497 R HA 0.244 4.614 4.340 0.050 0.000 0.284 497 R C -0.537 175.645 176.300 -0.196 0.000 1.070 497 R CA 0.027 56.026 56.100 -0.168 0.000 1.047 497 R CB 1.302 31.566 30.300 -0.061 0.000 1.016 497 R HN 0.367 nan 8.270 nan 0.000 0.477 498 S N 4.722 120.192 115.700 -0.383 0.000 2.537 498 S HA 0.122 4.622 4.470 0.050 0.000 0.286 498 S C -1.572 172.994 174.600 -0.056 0.000 1.299 498 S CA -1.214 56.842 58.200 -0.241 0.000 1.067 498 S CB 0.674 63.673 63.200 -0.336 0.000 0.864 498 S HN 0.540 nan 8.310 nan 0.000 0.494 499 P HA -0.125 nan 4.420 nan 0.000 0.216 499 P C 1.648 179.002 177.300 0.089 0.000 1.150 499 P CA 1.394 64.516 63.100 0.036 0.000 0.837 499 P CB -0.138 31.573 31.700 0.019 0.000 0.786 500 S N -1.837 113.950 115.700 0.145 0.000 2.465 500 S HA -0.165 4.335 4.470 0.050 0.000 0.241 500 S C 1.455 176.239 174.600 0.306 0.000 1.000 500 S CA 1.069 59.397 58.200 0.212 0.000 0.964 500 S CB -1.486 61.874 63.200 0.267 0.000 0.763 500 S HN -0.016 nan 8.310 nan 0.000 0.512 501 F N 2.074 122.022 119.950 -0.003 0.000 2.797 501 F HA 0.390 4.945 4.527 0.047 0.000 0.302 501 F C 2.019 177.768 175.800 -0.083 0.000 1.130 501 F CA -0.778 57.220 58.000 -0.004 0.000 1.387 501 F CB -0.612 38.417 39.000 0.049 0.000 1.107 501 F HN 0.369 nan 8.300 nan 0.000 0.577 502 G N -0.016 108.778 108.800 -0.010 0.000 3.562 502 G HA2 0.045 4.035 3.960 0.050 0.000 0.279 502 G HA3 0.045 4.035 3.960 0.050 0.000 0.279 502 G C 0.079 174.501 174.900 -0.798 0.000 1.314 502 G CA 0.061 44.967 45.100 -0.322 0.000 1.189 502 G HN 0.048 nan 8.290 nan 0.000 0.562 503 E N 0.069 119.821 120.200 -0.747 0.000 2.224 503 E HA 0.378 4.758 4.350 0.050 0.000 0.265 503 E C -0.783 175.435 176.600 -0.637 0.000 0.878 503 E CA -0.779 55.227 56.400 -0.656 0.000 0.759 503 E CB 1.560 31.115 29.700 -0.242 0.000 1.164 503 E HN 0.198 nan 8.360 nan 0.000 0.414 504 Y N 2.626 122.719 120.300 -0.345 0.000 2.432 504 Y HA 0.186 4.767 4.550 0.050 0.000 0.252 504 Y C 0.656 176.288 175.900 -0.447 0.000 1.097 504 Y CA -0.172 57.633 58.100 -0.493 0.000 1.250 504 Y CB 0.356 38.362 38.460 -0.757 0.000 1.245 504 Y HN 0.434 nan 8.280 nan 0.000 0.522 505 Y N -1.262 119.122 120.300 0.140 0.000 2.483 505 Y HA 0.089 4.670 4.550 0.052 0.000 0.258 505 Y C 2.411 178.371 175.900 0.099 0.000 1.083 505 Y CA 0.192 58.367 58.100 0.126 0.000 1.283 505 Y CB -0.366 38.173 38.460 0.132 0.000 1.178 505 Y HN 0.042 nan 8.280 nan 0.000 0.515 506 S N -0.589 115.239 115.700 0.213 0.000 2.382 506 S HA -0.209 4.292 4.470 0.050 0.000 0.228 506 S C 1.439 176.121 174.600 0.136 0.000 1.027 506 S CA 1.749 60.060 58.200 0.184 0.000 0.991 506 S CB -0.568 62.745 63.200 0.188 0.000 0.823 506 S HN 0.434 nan 8.310 nan 0.000 0.469 507 H N 2.670 121.651 119.070 -0.148 0.000 2.363 507 H HA 0.214 4.800 4.556 0.051 0.000 0.301 507 H C -0.643 174.496 175.328 -0.315 0.000 1.074 507 H CA 1.002 56.814 56.048 -0.393 0.000 1.354 507 H CB -1.684 27.593 29.762 -0.810 0.000 1.397 507 H HN 0.381 nan 8.280 nan 0.000 0.516 508 P HA -0.169 nan 4.420 nan 0.000 0.216 508 P C 1.505 178.991 177.300 0.311 0.000 1.153 508 P CA 1.731 64.987 63.100 0.260 0.000 0.858 508 P CB 0.111 31.982 31.700 0.284 0.000 0.789 509 R N -0.460 120.172 120.500 0.220 0.000 2.075 509 R HA -0.108 4.262 4.340 0.050 0.000 0.232 509 R C 2.150 178.579 176.300 0.215 0.000 1.126 509 R CA 1.080 57.313 56.100 0.222 0.000 0.963 509 R CB -1.121 29.272 30.300 0.154 0.000 0.858 509 R HN 0.039 nan 8.270 nan 0.000 0.435 510 L N 0.556 121.849 121.223 0.116 0.000 2.042 510 L HA -0.152 4.218 4.340 0.050 0.000 0.210 510 L C 2.001 178.926 176.870 0.091 0.000 1.076 510 L CA 1.796 56.665 54.840 0.048 0.000 0.749 510 L CB -0.745 41.267 42.059 -0.078 0.000 0.893 510 L HN 0.271 nan 8.230 nan 0.000 0.432 511 F N -0.820 119.157 119.950 0.045 0.000 2.102 511 F HA -0.267 4.291 4.527 0.053 0.000 0.298 511 F C 2.331 178.128 175.800 -0.003 0.000 1.105 511 F CA 2.109 60.112 58.000 0.005 0.000 1.239 511 F CB -0.720 38.316 39.000 0.060 0.000 0.991 511 F HN 0.379 nan 8.300 nan 0.000 0.474 512 W N 1.483 122.773 121.300 -0.018 0.000 2.302 512 W HA -0.290 4.400 4.660 0.049 0.000 0.320 512 W C 1.835 178.231 176.519 -0.205 0.000 1.241 512 W CA 2.103 59.385 57.345 -0.105 0.000 1.264 512 W CB -0.854 28.631 29.460 0.041 0.000 1.154 512 W HN 0.098 nan 8.180 nan 0.000 0.483 513 L N 1.068 122.224 121.223 -0.112 0.000 2.362 513 L HA -0.168 4.203 4.340 0.050 0.000 0.219 513 L C 2.337 179.022 176.870 -0.309 0.000 1.134 513 L CA 1.131 55.839 54.840 -0.220 0.000 0.807 513 L CB -0.638 41.411 42.059 -0.016 0.000 0.927 513 L HN -0.104 nan 8.230 nan 0.000 0.447 514 S N -1.515 113.978 115.700 -0.345 0.000 2.558 514 S HA 0.045 4.545 4.470 0.050 0.000 0.217 514 S C 0.713 175.027 174.600 -0.477 0.000 0.975 514 S CA 0.081 58.071 58.200 -0.351 0.000 0.912 514 S CB 0.058 63.079 63.200 -0.297 0.000 0.776 514 S HN 0.295 nan 8.310 nan 0.000 0.526 515 Q N 2.256 121.671 119.800 -0.642 0.000 2.260 515 Q HA 0.282 4.652 4.340 0.050 0.000 0.242 515 Q C 0.633 176.248 176.000 -0.642 0.000 0.932 515 Q CA -0.112 55.280 55.803 -0.685 0.000 0.891 515 Q CB 0.446 28.714 28.738 -0.784 0.000 1.222 515 Q HN 0.431 nan 8.270 nan 0.000 0.453 516 T N -1.577 112.560 114.554 -0.696 0.000 2.748 516 T HA 0.118 4.498 4.350 0.050 0.000 0.304 516 T C -1.717 172.524 174.700 -0.766 0.000 1.041 516 T CA -1.160 60.477 62.100 -0.771 0.000 1.033 516 T CB 0.239 68.380 68.868 -1.213 0.000 0.995 516 T HN 0.242 nan 8.240 nan 0.000 0.536 517 P HA 0.004 nan 4.420 nan 0.000 0.217 517 P C 1.364 178.459 177.300 -0.340 0.000 1.150 517 P CA 0.951 63.828 63.100 -0.371 0.000 0.832 517 P CB -0.238 31.359 31.700 -0.172 0.000 0.787 518 F N -0.150 119.597 119.950 -0.339 0.000 2.206 518 F HA 0.033 4.590 4.527 0.050 0.000 0.298 518 F C 1.848 177.276 175.800 -0.619 0.000 1.090 518 F CA 0.855 58.580 58.000 -0.459 0.000 1.323 518 F CB -1.590 37.125 39.000 -0.474 0.000 1.028 518 F HN -0.117 nan 8.300 nan 0.000 0.492 519 E N 0.672 120.342 120.200 -0.884 0.000 2.077 519 E HA -0.230 4.150 4.350 0.050 0.000 0.193 519 E C 2.218 178.624 176.600 -0.323 0.000 0.989 519 E CA 1.576 57.666 56.400 -0.517 0.000 0.800 519 E CB -0.338 29.009 29.700 -0.589 0.000 0.746 519 E HN 0.627 nan 8.360 nan 0.000 0.452 520 Q N 0.322 119.843 119.800 -0.465 0.000 2.096 520 Q HA -0.219 4.151 4.340 0.050 0.000 0.204 520 Q C 2.270 178.290 176.000 0.033 0.000 0.982 520 Q CA 1.395 56.958 55.803 -0.400 0.000 0.850 520 Q CB -0.207 28.003 28.738 -0.879 0.000 0.901 520 Q HN 0.130 nan 8.270 nan 0.000 0.422 521 R N 0.053 120.544 120.500 -0.015 0.000 2.081 521 R HA -0.161 4.209 4.340 0.050 0.000 0.235 521 R C 1.824 178.294 176.300 0.283 0.000 1.131 521 R CA 1.627 57.810 56.100 0.139 0.000 0.960 521 R CB -0.124 30.231 30.300 0.092 0.000 0.856 521 R HN 0.471 nan 8.270 nan 0.000 0.436 522 H N -0.540 118.621 119.070 0.152 0.000 2.423 522 H HA -0.063 4.523 4.556 0.050 0.000 0.297 522 H C 2.130 177.571 175.328 0.188 0.000 1.075 522 H CA 1.229 57.380 56.048 0.173 0.000 1.342 522 H CB 0.059 29.928 29.762 0.179 0.000 1.395 522 H HN 0.226 nan 8.280 nan 0.000 0.530 523 I N 0.176 120.957 120.570 0.352 0.000 2.179 523 I HA -0.256 3.944 4.170 0.050 0.000 0.242 523 I C 2.321 178.722 176.117 0.473 0.000 1.088 523 I CA 0.763 62.306 61.300 0.406 0.000 1.357 523 I CB -0.172 38.162 38.000 0.557 0.000 1.051 523 I HN 0.078 nan 8.210 nan 0.000 0.409 524 V N 1.008 121.194 119.914 0.453 0.000 2.282 524 V HA -0.347 3.804 4.120 0.050 0.000 0.249 524 V C 2.063 178.332 176.094 0.291 0.000 1.057 524 V CA 2.199 64.713 62.300 0.357 0.000 1.032 524 V CB -0.687 31.305 31.823 0.280 0.000 0.645 524 V HN 0.434 nan 8.190 nan 0.000 0.447 525 D N 0.221 120.777 120.400 0.259 0.000 2.178 525 D HA -0.087 4.583 4.640 0.050 0.000 0.202 525 D C 2.155 178.537 176.300 0.138 0.000 0.974 525 D CA 1.511 55.632 54.000 0.202 0.000 0.841 525 D CB -0.537 40.387 40.800 0.206 0.000 0.953 525 D HN 0.494 nan 8.370 nan 0.000 0.478 526 G N 0.111 108.972 108.800 0.100 0.000 2.414 526 G HA2 -0.235 3.755 3.960 0.050 0.000 0.215 526 G HA3 -0.235 3.755 3.960 0.050 0.000 0.215 526 G C 1.451 176.355 174.900 0.007 0.000 1.188 526 G CA 0.134 45.201 45.100 -0.055 0.000 0.783 526 G HN 0.165 nan 8.290 nan 0.000 0.537 527 F N 1.894 121.887 119.950 0.072 0.000 2.126 527 F HA -0.095 4.462 4.527 0.050 0.000 0.299 527 F C 3.146 178.867 175.800 -0.132 0.000 1.096 527 F CA 1.604 59.579 58.000 -0.043 0.000 1.255 527 F CB -0.271 38.709 39.000 -0.034 0.000 0.997 527 F HN 0.085 nan 8.300 nan 0.000 0.479 528 S N -0.181 115.613 115.700 0.157 0.000 2.355 528 S HA -0.197 4.303 4.470 0.050 0.000 0.222 528 S C 1.859 176.475 174.600 0.026 0.000 1.031 528 S CA 1.199 59.437 58.200 0.063 0.000 0.993 528 S CB -0.776 62.484 63.200 0.100 0.000 0.859 528 S HN 0.395 nan 8.310 nan 0.000 0.453 529 F N 2.681 122.592 119.950 -0.065 0.000 2.102 529 F HA -0.107 4.450 4.527 0.049 0.000 0.298 529 F C 2.358 178.098 175.800 -0.099 0.000 1.105 529 F CA 1.503 59.455 58.000 -0.081 0.000 1.239 529 F CB -0.312 38.587 39.000 -0.168 0.000 0.991 529 F HN 0.119 nan 8.300 nan 0.000 0.474 530 E N 0.579 120.774 120.200 -0.009 0.000 2.051 530 E HA -0.226 4.154 4.350 0.050 0.000 0.192 530 E C 2.370 178.792 176.600 -0.296 0.000 0.991 530 E CA 1.751 58.118 56.400 -0.054 0.000 0.799 530 E CB -0.608 29.197 29.700 0.173 0.000 0.748 530 E HN 0.473 nan 8.360 nan 0.000 0.449 531 L N 1.365 122.323 121.223 -0.442 0.000 2.201 531 L HA -0.129 4.241 4.340 0.050 0.000 0.212 531 L C 2.710 179.411 176.870 -0.283 0.000 1.105 531 L CA 1.089 55.635 54.840 -0.489 0.000 0.775 531 L CB -0.437 41.341 42.059 -0.469 0.000 0.913 531 L HN 0.138 nan 8.230 nan 0.000 0.440 532 S N -0.642 114.908 115.700 -0.251 0.000 2.469 532 S HA -0.119 4.382 4.470 0.050 0.000 0.238 532 S C 1.745 176.227 174.600 -0.196 0.000 0.998 532 S CA 0.697 58.773 58.200 -0.206 0.000 0.957 532 S CB -0.113 62.958 63.200 -0.215 0.000 0.764 532 S HN 0.290 nan 8.310 nan 0.000 0.514 533 K N 1.088 121.354 120.400 -0.224 0.000 2.374 533 K HA 0.340 4.690 4.320 0.050 0.000 0.196 533 K C -0.101 176.496 176.600 -0.004 0.000 1.023 533 K CA -0.011 56.205 56.287 -0.119 0.000 1.103 533 K CB 0.210 32.631 32.500 -0.133 0.000 0.848 533 K HN 0.314 nan 8.250 nan 0.000 0.528 534 V N 2.312 122.203 119.914 -0.038 0.000 2.427 534 V HA 0.001 4.151 4.120 0.050 0.000 0.268 534 V C 1.712 177.791 176.094 -0.025 0.000 1.046 534 V CA -0.040 62.262 62.300 0.003 0.000 0.970 534 V CB 1.268 33.057 31.823 -0.057 0.000 1.001 534 V HN -0.121 nan 8.190 nan 0.000 0.476 535 V N 5.221 125.144 119.914 0.014 0.000 2.488 535 V HA -0.026 4.124 4.120 0.050 0.000 0.246 535 V C 1.350 177.432 176.094 -0.020 0.000 1.046 535 V CA 1.183 63.488 62.300 0.008 0.000 1.053 535 V CB -0.427 31.419 31.823 0.038 0.000 0.679 535 V HN 0.755 nan 8.190 nan 0.000 0.458 536 R N 0.944 121.410 120.500 -0.057 0.000 2.291 536 R HA 0.159 4.529 4.340 0.050 0.000 0.333 536 R C -1.769 174.417 176.300 -0.191 0.000 1.082 536 R CA -1.275 54.763 56.100 -0.103 0.000 0.948 536 R CB 0.578 30.764 30.300 -0.191 0.000 1.009 536 R HN 0.262 nan 8.270 nan 0.000 0.460 537 P HA -0.169 nan 4.420 nan 0.000 0.221 537 P C 0.680 177.938 177.300 -0.069 0.000 1.150 537 P CA 0.958 64.025 63.100 -0.055 0.000 0.800 537 P CB 0.031 31.737 31.700 0.011 0.000 0.787 538 Y N -1.178 119.121 120.300 -0.002 0.000 2.315 538 Y HA -0.137 4.443 4.550 0.049 0.000 0.288 538 Y C 1.875 177.779 175.900 0.007 0.000 1.154 538 Y CA 0.815 58.915 58.100 -0.000 0.000 1.229 538 Y CB -1.812 36.649 38.460 0.002 0.000 0.980 538 Y HN -0.103 nan 8.280 nan 0.000 0.540 539 I N 0.948 121.075 120.570 -0.738 0.000 2.252 539 I HA -0.256 3.944 4.170 0.050 0.000 0.245 539 I C 2.549 178.566 176.117 -0.167 0.000 1.102 539 I CA 1.448 62.491 61.300 -0.428 0.000 1.385 539 I CB -0.427 37.329 38.000 -0.408 0.000 1.064 539 I HN 0.207 nan 8.210 nan 0.000 0.414 540 R N 0.897 121.290 120.500 -0.178 0.000 2.091 540 R HA -0.201 4.169 4.340 0.050 0.000 0.238 540 R C 2.131 178.375 176.300 -0.094 0.000 1.136 540 R CA 1.601 57.611 56.100 -0.149 0.000 0.959 540 R CB -0.496 29.716 30.300 -0.146 0.000 0.856 540 R HN 0.464 nan 8.270 nan 0.000 0.437 541 E N 0.491 120.659 120.200 -0.053 0.000 2.077 541 E HA -0.168 4.212 4.350 0.050 0.000 0.193 541 E C 2.162 178.764 176.600 0.004 0.000 0.989 541 E CA 1.124 57.516 56.400 -0.013 0.000 0.800 541 E CB -0.028 29.689 29.700 0.030 0.000 0.746 541 E HN 0.281 nan 8.360 nan 0.000 0.452 542 R N 0.222 120.738 120.500 0.027 0.000 2.092 542 R HA -0.082 4.288 4.340 0.050 0.000 0.231 542 R C 2.382 178.706 176.300 0.039 0.000 1.119 542 R CA 0.879 57.010 56.100 0.051 0.000 0.970 542 R CB -0.177 30.173 30.300 0.084 0.000 0.864 542 R HN 0.053 nan 8.270 nan 0.000 0.440 543 V N 0.320 120.249 119.914 0.025 0.000 2.307 543 V HA -0.211 3.939 4.120 0.050 0.000 0.245 543 V C 2.297 178.371 176.094 -0.034 0.000 1.045 543 V CA 1.541 63.865 62.300 0.040 0.000 1.024 543 V CB -0.319 31.534 31.823 0.050 0.000 0.651 543 V HN 0.116 nan 8.190 nan 0.000 0.449 544 V N 0.537 120.404 119.914 -0.079 0.000 2.332 544 V HA -0.355 3.795 4.120 0.050 0.000 0.248 544 V C 2.311 178.365 176.094 -0.068 0.000 1.055 544 V CA 2.564 64.799 62.300 -0.110 0.000 1.038 544 V CB -0.745 31.019 31.823 -0.098 0.000 0.651 544 V HN 0.670 nan 8.190 nan 0.000 0.450 545 D N -0.630 119.763 120.400 -0.012 0.000 2.116 545 D HA -0.239 4.431 4.640 0.050 0.000 0.193 545 D C 2.279 178.659 176.300 0.132 0.000 0.998 545 D CA 1.698 55.726 54.000 0.047 0.000 0.836 545 D CB -0.093 40.753 40.800 0.077 0.000 0.951 545 D HN 0.515 nan 8.370 nan 0.000 0.449 546 Q N -0.517 119.332 119.800 0.083 0.000 2.096 546 Q HA -0.126 4.244 4.340 0.050 0.000 0.204 546 Q C 2.490 178.515 176.000 0.042 0.000 0.982 546 Q CA 0.944 56.802 55.803 0.091 0.000 0.850 546 Q CB -0.116 28.691 28.738 0.116 0.000 0.901 546 Q HN 0.420 nan 8.270 nan 0.000 0.422 547 L N -0.029 121.155 121.223 -0.065 0.000 2.131 547 L HA -0.172 4.198 4.340 0.050 0.000 0.210 547 L C 2.376 179.130 176.870 -0.193 0.000 1.092 547 L CA 0.838 55.563 54.840 -0.191 0.000 0.759 547 L CB -0.566 41.276 42.059 -0.362 0.000 0.903 547 L HN 0.208 nan 8.230 nan 0.000 0.435 548 A N -0.894 121.837 122.820 -0.150 0.000 2.121 548 A HA -0.184 4.166 4.320 0.050 0.000 0.218 548 A C 1.752 179.159 177.584 -0.296 0.000 1.154 548 A CA 1.127 53.039 52.037 -0.210 0.000 0.679 548 A CB -0.681 18.200 19.000 -0.198 0.000 0.795 548 A HN 0.437 nan 8.150 nan 0.000 0.458 549 H N -1.100 117.756 119.070 -0.357 0.000 2.548 549 H HA 0.234 4.821 4.556 0.051 0.000 0.268 549 H C 1.595 176.644 175.328 -0.465 0.000 0.975 549 H CA 1.104 56.804 56.048 -0.581 0.000 1.195 549 H CB 0.069 29.066 29.762 -1.277 0.000 1.397 549 H HN 0.504 nan 8.280 nan 0.000 0.572 550 I N -1.158 119.306 120.570 -0.177 0.000 2.729 550 I HA 0.074 4.274 4.170 0.050 0.000 0.256 550 I C -0.151 175.890 176.117 -0.127 0.000 1.115 550 I CA 0.484 61.747 61.300 -0.062 0.000 1.446 550 I CB 0.641 38.636 38.000 -0.008 0.000 1.176 550 I HN 0.099 nan 8.210 nan 0.000 0.446 551 D N -0.414 119.841 120.400 -0.241 0.000 2.795 551 D HA 0.136 4.806 4.640 0.050 0.000 0.206 551 D C 0.296 176.428 176.300 -0.280 0.000 1.278 551 D CA -0.354 53.484 54.000 -0.269 0.000 0.839 551 D CB 1.304 41.812 40.800 -0.486 0.000 1.700 551 D HN -0.073 nan 8.370 nan 0.000 0.549 552 L N 2.900 124.019 121.223 -0.175 0.000 2.042 552 L HA -0.112 4.259 4.340 0.050 0.000 0.210 552 L C 1.332 178.120 176.870 -0.137 0.000 1.076 552 L CA 2.048 56.800 54.840 -0.146 0.000 0.749 552 L CB -0.569 41.435 42.059 -0.091 0.000 0.893 552 L HN 0.596 nan 8.230 nan 0.000 0.432 553 T N 0.699 115.197 114.554 -0.093 0.000 2.708 553 T HA -0.197 4.183 4.350 0.050 0.000 0.266 553 T C 1.820 176.467 174.700 -0.089 0.000 1.037 553 T CA 1.487 63.577 62.100 -0.017 0.000 1.146 553 T CB -0.332 68.614 68.868 0.130 0.000 0.865 553 T HN 0.276 nan 8.240 nan 0.000 0.435 554 L N 1.829 122.848 121.223 -0.341 0.000 1.971 554 L HA -0.064 4.306 4.340 0.050 0.000 0.215 554 L C 2.618 179.271 176.870 -0.363 0.000 1.072 554 L CA 2.276 56.759 54.840 -0.595 0.000 0.758 554 L CB -1.289 39.992 42.059 -1.297 0.000 0.889 554 L HN 0.227 nan 8.230 nan 0.000 0.433 555 A N -1.160 121.456 122.820 -0.340 0.000 1.883 555 A HA -0.283 4.067 4.320 0.050 0.000 0.217 555 A C 2.206 179.691 177.584 -0.166 0.000 1.186 555 A CA 2.018 53.902 52.037 -0.255 0.000 0.624 555 A CB -0.735 18.131 19.000 -0.222 0.000 0.822 555 A HN 0.712 nan 8.150 nan 0.000 0.444 556 Q N -0.865 118.860 119.800 -0.126 0.000 2.084 556 Q HA -0.147 4.223 4.340 0.050 0.000 0.202 556 Q C 2.467 178.438 176.000 -0.048 0.000 0.978 556 Q CA 1.403 57.162 55.803 -0.073 0.000 0.844 556 Q CB -0.387 28.322 28.738 -0.048 0.000 0.898 556 Q HN 0.702 nan 8.270 nan 0.000 0.426 557 A N 0.262 123.060 122.820 -0.038 0.000 1.902 557 A HA -0.136 4.214 4.320 0.050 0.000 0.217 557 A C 2.307 179.889 177.584 -0.004 0.000 1.181 557 A CA 1.391 53.432 52.037 0.007 0.000 0.623 557 A CB -0.614 18.423 19.000 0.062 0.000 0.818 557 A HN 0.213 nan 8.150 nan 0.000 0.443 558 V N -0.260 119.623 119.914 -0.052 0.000 2.379 558 V HA -0.175 3.975 4.120 0.050 0.000 0.245 558 V C 3.044 179.104 176.094 -0.058 0.000 1.044 558 V CA 1.702 63.970 62.300 -0.053 0.000 1.036 558 V CB -1.179 30.560 31.823 -0.141 0.000 0.664 558 V HN 0.602 nan 8.190 nan 0.000 0.453 559 A N -0.161 122.613 122.820 -0.076 0.000 1.940 559 A HA -0.303 4.047 4.320 0.050 0.000 0.219 559 A C 2.314 179.877 177.584 -0.035 0.000 1.176 559 A CA 2.363 54.362 52.037 -0.062 0.000 0.631 559 A CB -0.481 18.479 19.000 -0.066 0.000 0.814 559 A HN 0.537 nan 8.150 nan 0.000 0.446 560 K N -0.471 119.916 120.400 -0.021 0.000 2.103 560 K HA -0.114 4.236 4.320 0.050 0.000 0.204 560 K C 1.377 177.979 176.600 0.004 0.000 1.052 560 K CA 1.314 57.599 56.287 -0.005 0.000 0.945 560 K CB -0.124 32.380 32.500 0.007 0.000 0.722 560 K HN 0.412 nan 8.250 nan 0.000 0.443 561 N N 0.421 119.126 118.700 0.009 0.000 2.453 561 N HA -0.094 4.676 4.740 0.050 0.000 0.183 561 N C 0.735 176.245 175.510 -0.001 0.000 1.041 561 N CA 0.695 53.757 53.050 0.019 0.000 0.900 561 N CB 0.163 38.674 38.487 0.041 0.000 0.961 561 N HN 0.142 nan 8.380 nan 0.000 0.443 562 L N -0.570 120.640 121.223 -0.021 0.000 2.640 562 L HA 0.311 4.681 4.340 0.050 0.000 0.230 562 L C 1.174 178.027 176.870 -0.027 0.000 1.123 562 L CA 0.092 54.911 54.840 -0.036 0.000 0.900 562 L CB -0.851 41.171 42.059 -0.061 0.000 1.146 562 L HN 0.182 nan 8.230 nan 0.000 0.484 563 G N 0.782 109.572 108.800 -0.016 0.000 2.221 563 G HA2 -0.290 3.701 3.960 0.050 0.000 0.265 563 G HA3 -0.290 3.701 3.960 0.050 0.000 0.265 563 G C 0.362 175.252 174.900 -0.016 0.000 1.041 563 G CA 0.379 45.471 45.100 -0.012 0.000 0.807 563 G HN 0.328 nan 8.290 nan 0.000 0.502 564 I N -0.215 120.341 120.570 -0.024 0.000 2.460 564 I HA 0.449 4.649 4.170 0.050 0.000 0.298 564 I C 0.316 176.417 176.117 -0.025 0.000 0.989 564 I CA -0.687 60.598 61.300 -0.026 0.000 1.173 564 I CB 1.747 39.725 38.000 -0.038 0.000 1.338 564 I HN 0.039 nan 8.210 nan 0.000 0.456 565 E N 4.533 124.720 120.200 -0.022 0.000 2.176 565 E HA 0.334 4.714 4.350 0.050 0.000 0.267 565 E C -1.220 175.363 176.600 -0.029 0.000 0.893 565 E CA -1.074 55.312 56.400 -0.023 0.000 0.761 565 E CB 2.001 31.692 29.700 -0.016 0.000 1.133 565 E HN 0.255 nan 8.360 nan 0.000 0.409 566 L N 3.077 124.277 121.223 -0.037 0.000 2.490 566 L HA 0.026 4.396 4.340 0.050 0.000 0.274 566 L C 1.108 177.956 176.870 -0.037 0.000 1.201 566 L CA 0.563 55.376 54.840 -0.045 0.000 0.869 566 L CB 0.339 42.363 42.059 -0.058 0.000 1.123 566 L HN 0.592 nan 8.230 nan 0.000 0.484 567 T N -1.110 113.423 114.554 -0.036 0.000 2.788 567 T HA 0.141 4.522 4.350 0.050 0.000 0.287 567 T C 0.874 175.552 174.700 -0.037 0.000 1.007 567 T CA -0.573 61.509 62.100 -0.030 0.000 1.005 567 T CB 0.570 69.423 68.868 -0.025 0.000 1.012 567 T HN 0.532 nan 8.240 nan 0.000 0.530 568 D N 0.226 120.608 120.400 -0.030 0.000 2.144 568 D HA -0.058 4.612 4.640 0.050 0.000 0.199 568 D C 1.685 177.960 176.300 -0.042 0.000 0.984 568 D CA 1.114 55.094 54.000 -0.033 0.000 0.834 568 D CB -0.230 40.555 40.800 -0.025 0.000 0.955 568 D HN 0.587 nan 8.370 nan 0.000 0.465 569 D N 0.138 120.514 120.400 -0.041 0.000 2.104 569 D HA -0.143 4.528 4.640 0.050 0.000 0.194 569 D C 2.080 178.331 176.300 -0.083 0.000 0.994 569 D CA 0.876 54.846 54.000 -0.051 0.000 0.830 569 D CB -0.255 40.523 40.800 -0.037 0.000 0.959 569 D HN 0.345 nan 8.370 nan 0.000 0.452 570 Q N -0.416 119.333 119.800 -0.084 0.000 2.124 570 Q HA -0.104 4.266 4.340 0.050 0.000 0.202 570 Q C 1.833 177.756 176.000 -0.128 0.000 0.977 570 Q CA 0.559 56.289 55.803 -0.123 0.000 0.850 570 Q CB 0.014 28.694 28.738 -0.098 0.000 0.901 570 Q HN 0.189 nan 8.270 nan 0.000 0.429 571 L N 0.909 122.077 121.223 -0.092 0.000 2.362 571 L HA -0.082 4.288 4.340 0.050 0.000 0.219 571 L C 1.075 177.895 176.870 -0.083 0.000 1.134 571 L CA 1.359 56.149 54.840 -0.082 0.000 0.807 571 L CB -0.543 41.481 42.059 -0.057 0.000 0.927 571 L HN 0.241 nan 8.230 nan 0.000 0.447 572 N N -0.865 117.782 118.700 -0.088 0.000 2.236 572 N HA 0.170 4.941 4.740 0.050 0.000 0.196 572 N C 0.433 175.881 175.510 -0.103 0.000 1.114 572 N CA -0.013 52.990 53.050 -0.079 0.000 0.859 572 N CB 0.674 39.125 38.487 -0.060 0.000 0.982 572 N HN 0.211 nan 8.380 nan 0.000 0.493 573 I N 1.720 122.195 120.570 -0.159 0.000 2.587 573 I HA -0.044 4.156 4.170 0.050 0.000 0.284 573 I C 0.395 176.422 176.117 -0.150 0.000 1.134 573 I CA 0.273 61.449 61.300 -0.207 0.000 1.410 573 I CB 0.328 38.082 38.000 -0.410 0.000 1.392 573 I HN -0.150 nan 8.210 nan 0.000 0.545 574 T N 8.293 122.789 114.554 -0.098 0.000 2.867 574 T HA 0.107 4.487 4.350 0.050 0.000 0.297 574 T C -1.957 172.711 174.700 -0.054 0.000 0.989 574 T CA -0.779 61.288 62.100 -0.056 0.000 1.159 574 T CB -0.097 68.758 68.868 -0.023 0.000 0.928 574 T HN 0.385 nan 8.240 nan 0.000 0.538 575 P HA 0.183 nan 4.420 nan 0.000 0.269 575 P C -2.290 175.026 177.300 0.026 0.000 1.217 575 P CA -1.275 61.815 63.100 -0.018 0.000 0.783 575 P CB -0.465 31.235 31.700 0.000 0.000 0.898 576 P HA 0.210 nan 4.420 nan 0.000 0.272 576 P C -2.367 174.987 177.300 0.090 0.000 1.240 576 P CA -1.317 61.850 63.100 0.112 0.000 0.791 576 P CB -0.982 30.829 31.700 0.186 0.000 0.978 577 P HA 0.099 nan 4.420 nan 0.000 0.271 577 P C -0.232 177.118 177.300 0.083 0.000 1.233 577 P CA 0.127 63.275 63.100 0.079 0.000 0.789 577 P CB 0.390 32.138 31.700 0.080 0.000 0.951 578 D N -0.335 120.107 120.400 0.070 0.000 2.363 578 D HA 0.114 4.784 4.640 0.050 0.000 0.240 578 D C -0.132 176.217 176.300 0.082 0.000 1.236 578 D CA 0.011 54.049 54.000 0.063 0.000 0.927 578 D CB 0.452 41.283 40.800 0.052 0.000 1.150 578 D HN -0.010 nan 8.370 nan 0.000 0.458 579 V N 1.997 121.951 119.914 0.065 0.000 2.318 579 V HA 0.076 4.226 4.120 0.050 0.000 0.271 579 V C 0.089 176.273 176.094 0.149 0.000 1.030 579 V CA -0.560 61.805 62.300 0.109 0.000 0.844 579 V CB -0.104 31.688 31.823 -0.052 0.000 1.015 579 V HN 0.573 nan 8.190 nan 0.000 0.460 580 N N 4.375 123.186 118.700 0.185 0.000 2.714 580 N HA -0.229 4.541 4.740 0.050 0.000 0.252 580 N C 1.182 176.756 175.510 0.107 0.000 1.014 580 N CA 1.128 54.272 53.050 0.158 0.000 0.735 580 N CB -0.890 37.737 38.487 0.232 0.000 0.924 580 N HN 1.312 nan 8.380 nan 0.000 0.540 581 G N -2.094 106.755 108.800 0.081 0.000 2.179 581 G HA2 -0.331 3.659 3.960 0.050 0.000 0.260 581 G HA3 -0.331 3.659 3.960 0.050 0.000 0.260 581 G C 0.100 175.031 174.900 0.051 0.000 0.977 581 G CA 0.384 45.519 45.100 0.058 0.000 0.641 581 G HN 0.419 nan 8.290 nan 0.000 0.533 582 L N 0.860 122.117 121.223 0.057 0.000 2.326 582 L HA 0.456 4.826 4.340 0.050 0.000 0.278 582 L C 1.498 178.383 176.870 0.024 0.000 1.092 582 L CA -0.218 54.645 54.840 0.038 0.000 0.810 582 L CB 1.155 43.236 42.059 0.036 0.000 1.153 582 L HN 0.243 nan 8.230 nan 0.000 0.439 583 K N 3.248 123.657 120.400 0.014 0.000 2.438 583 K HA 0.246 4.596 4.320 0.050 0.000 0.205 583 K C -0.598 175.995 176.600 -0.011 0.000 1.033 583 K CA -0.270 56.022 56.287 0.009 0.000 1.089 583 K CB 0.655 33.163 32.500 0.012 0.000 0.857 583 K HN 0.725 nan 8.250 nan 0.000 0.522 584 K N -0.416 119.972 120.400 -0.020 0.000 2.894 584 K HA 0.200 4.551 4.320 0.050 0.000 0.293 584 K C -2.300 174.279 176.600 -0.034 0.000 1.091 584 K CA -0.801 55.457 56.287 -0.048 0.000 0.865 584 K CB 0.482 32.935 32.500 -0.078 0.000 1.441 584 K HN -0.118 nan 8.250 nan 0.000 0.361 585 D N 1.716 122.089 120.400 -0.045 0.000 2.616 585 D HA 0.339 5.009 4.640 0.050 0.000 0.238 585 D C -2.297 173.984 176.300 -0.031 0.000 1.354 585 D CA -1.981 52.011 54.000 -0.013 0.000 0.970 585 D CB 2.338 43.151 40.800 0.022 0.000 1.369 585 D HN 0.279 nan 8.370 nan 0.000 0.585 586 P HA -0.040 nan 4.420 nan 0.000 0.233 586 P C 1.272 178.561 177.300 -0.019 0.000 1.167 586 P CA 0.588 63.656 63.100 -0.053 0.000 0.770 586 P CB 0.251 31.931 31.700 -0.034 0.000 0.837 587 S N -0.818 114.903 115.700 0.036 0.000 2.500 587 S HA -0.095 4.405 4.470 0.050 0.000 0.239 587 S C 1.610 176.292 174.600 0.136 0.000 0.989 587 S CA 0.930 59.188 58.200 0.097 0.000 0.951 587 S CB -1.397 61.884 63.200 0.135 0.000 0.759 587 S HN 0.166 nan 8.310 nan 0.000 0.523 588 L N 1.140 122.401 121.223 0.063 0.000 2.509 588 L HA 0.214 4.584 4.340 0.050 0.000 0.222 588 L C 1.473 178.232 176.870 -0.184 0.000 1.123 588 L CA 0.126 54.991 54.840 0.042 0.000 0.856 588 L CB -0.278 41.789 42.059 0.014 0.000 0.985 588 L HN 0.326 nan 8.230 nan 0.000 0.456 589 S N -0.358 115.220 115.700 -0.203 0.000 2.586 589 S HA 0.303 4.803 4.470 0.050 0.000 0.274 589 S C 1.055 175.533 174.600 -0.203 0.000 1.281 589 S CA -0.626 57.399 58.200 -0.291 0.000 1.035 589 S CB 1.339 64.370 63.200 -0.281 0.000 0.962 589 S HN 0.170 nan 8.310 nan 0.000 0.512 590 L N 3.007 124.026 121.223 -0.340 0.000 2.156 590 L HA 0.035 4.405 4.340 0.050 0.000 0.208 590 L C 0.851 177.467 176.870 -0.424 0.000 1.095 590 L CA 1.054 55.602 54.840 -0.487 0.000 0.770 590 L CB -0.278 41.170 42.059 -1.019 0.000 0.914 590 L HN 0.752 nan 8.230 nan 0.000 0.439 591 Y N -2.274 118.024 120.300 -0.002 0.000 2.432 591 Y HA 0.348 4.929 4.550 0.051 0.000 0.252 591 Y C 2.128 178.055 175.900 0.044 0.000 1.097 591 Y CA -0.241 57.911 58.100 0.087 0.000 1.250 591 Y CB -0.465 38.088 38.460 0.154 0.000 1.245 591 Y HN -0.051 nan 8.280 nan 0.000 0.522 592 A N 0.789 123.640 122.820 0.052 0.000 1.883 592 A HA -0.071 4.279 4.320 0.050 0.000 0.217 592 A C 0.992 178.610 177.584 0.057 0.000 1.186 592 A CA 1.093 53.131 52.037 0.002 0.000 0.624 592 A CB -0.738 18.208 19.000 -0.090 0.000 0.822 592 A HN 0.268 nan 8.150 nan 0.000 0.444 593 I N 1.021 121.629 120.570 0.064 0.000 2.297 593 I HA 0.222 4.422 4.170 0.050 0.000 0.291 593 I C -2.406 173.782 176.117 0.118 0.000 1.033 593 I CA -2.115 59.232 61.300 0.079 0.000 1.253 593 I CB 1.248 39.284 38.000 0.059 0.000 1.396 593 I HN 0.031 nan 8.210 nan 0.000 0.476 594 P HA -0.068 nan 4.420 nan 0.000 0.263 594 P C -0.227 177.147 177.300 0.123 0.000 1.175 594 P CA 0.641 63.828 63.100 0.145 0.000 0.761 594 P CB 0.481 32.250 31.700 0.115 0.000 0.794 595 D N 1.066 121.549 120.400 0.137 0.000 2.742 595 D HA 0.101 4.771 4.640 0.050 0.000 0.302 595 D C 0.300 176.664 176.300 0.107 0.000 1.588 595 D CA -0.187 53.881 54.000 0.113 0.000 0.873 595 D CB -0.371 40.499 40.800 0.117 0.000 1.418 595 D HN 0.369 nan 8.370 nan 0.000 0.420 596 G N 0.486 109.356 108.800 0.116 0.000 2.406 596 G HA2 0.391 4.381 3.960 0.050 0.000 0.251 596 G HA3 0.391 4.381 3.960 0.050 0.000 0.251 596 G C -0.579 174.360 174.900 0.065 0.000 1.271 596 G CA -0.066 45.096 45.100 0.103 0.000 0.859 596 G HN 0.167 nan 8.290 nan 0.000 0.540 597 D N 0.991 121.422 120.400 0.052 0.000 2.788 597 D HA 0.190 4.860 4.640 0.050 0.000 0.247 597 D C 0.918 177.230 176.300 0.020 0.000 1.236 597 D CA -0.637 53.379 54.000 0.026 0.000 0.898 597 D CB 1.927 42.736 40.800 0.015 0.000 1.401 597 D HN 0.298 nan 8.370 nan 0.000 0.549 598 V N 1.785 121.703 119.914 0.006 0.000 3.608 598 V HA 0.261 4.411 4.120 0.050 0.000 0.269 598 V C 0.954 177.029 176.094 -0.032 0.000 1.245 598 V CA 0.057 62.356 62.300 -0.002 0.000 1.138 598 V CB -0.694 31.123 31.823 -0.009 0.000 0.841 598 V HN 0.384 nan 8.190 nan 0.000 0.451 599 K N 1.280 121.654 120.400 -0.043 0.000 2.412 599 K HA 0.421 4.771 4.320 0.050 0.000 0.281 599 K C 1.278 177.833 176.600 -0.075 0.000 1.027 599 K CA 1.038 57.276 56.287 -0.082 0.000 0.989 599 K CB 0.224 32.683 32.500 -0.069 0.000 0.935 599 K HN 0.666 nan 8.250 nan 0.000 0.475 600 G N 3.087 111.806 108.800 -0.135 0.000 2.225 600 G HA2 -0.235 3.755 3.960 0.050 0.000 0.254 600 G HA3 -0.235 3.755 3.960 0.050 0.000 0.254 600 G C 0.103 175.039 174.900 0.059 0.000 0.988 600 G CA -0.088 45.000 45.100 -0.020 0.000 0.625 600 G HN 0.573 nan 8.290 nan 0.000 0.527 601 R N -0.179 120.330 120.500 0.015 0.000 2.822 601 R HA 0.607 4.977 4.340 0.050 0.000 0.277 601 R C 0.336 176.688 176.300 0.087 0.000 1.102 601 R CA 0.034 56.173 56.100 0.066 0.000 1.207 601 R CB 0.246 30.579 30.300 0.055 0.000 1.139 601 R HN 0.434 nan 8.270 nan 0.000 0.557 602 V N 0.274 120.258 119.914 0.117 0.000 2.841 602 V HA 0.391 4.541 4.120 0.050 0.000 0.310 602 V C -0.435 175.724 176.094 0.108 0.000 1.090 602 V CA -0.903 61.480 62.300 0.140 0.000 0.930 602 V CB 2.543 34.472 31.823 0.177 0.000 1.014 602 V HN 0.372 nan 8.190 nan 0.000 0.425 603 V N 2.429 122.402 119.914 0.098 0.000 2.555 603 V HA 0.807 4.957 4.120 0.050 0.000 0.302 603 V C 0.367 176.520 176.094 0.097 0.000 1.038 603 V CA -0.602 61.747 62.300 0.082 0.000 0.887 603 V CB 1.955 33.811 31.823 0.055 0.000 0.991 603 V HN 1.066 nan 8.190 nan 0.000 0.434 604 A N 5.711 128.597 122.820 0.110 0.000 2.331 604 A HA 0.791 5.141 4.320 0.050 0.000 0.283 604 A C -0.469 177.135 177.584 0.033 0.000 1.142 604 A CA -0.271 51.818 52.037 0.087 0.000 0.812 604 A CB 0.140 19.222 19.000 0.136 0.000 1.074 604 A HN 0.758 nan 8.150 nan 0.000 0.497 605 I N 3.265 123.848 120.570 0.021 0.000 2.382 605 I HA 0.214 4.414 4.170 0.050 0.000 0.286 605 I C -0.679 175.450 176.117 0.019 0.000 1.002 605 I CA -0.259 61.055 61.300 0.024 0.000 1.135 605 I CB 1.479 39.505 38.000 0.042 0.000 1.288 605 I HN 0.484 nan 8.210 nan 0.000 0.448 606 L N 7.167 128.392 121.223 0.003 0.000 2.295 606 L HA 0.407 4.777 4.340 0.050 0.000 0.288 606 L C 0.111 177.085 176.870 0.175 0.000 1.079 606 L CA -0.360 54.535 54.840 0.091 0.000 0.830 606 L CB 0.199 42.181 42.059 -0.129 0.000 1.200 606 L HN 0.449 nan 8.230 nan 0.000 0.438 607 L N 3.523 124.893 121.223 0.244 0.000 2.475 607 L HA 0.270 4.640 4.340 0.050 0.000 0.253 607 L C 0.207 177.274 176.870 0.328 0.000 1.198 607 L CA -0.276 54.675 54.840 0.184 0.000 0.814 607 L CB 0.682 42.760 42.059 0.032 0.000 1.134 607 L HN 0.723 nan 8.230 nan 0.000 0.478 608 N N -2.256 116.541 118.700 0.161 0.000 2.697 608 N HA 0.211 4.981 4.740 0.050 0.000 0.272 608 N C -0.448 175.049 175.510 -0.023 0.000 1.381 608 N CA -0.758 52.424 53.050 0.221 0.000 0.797 608 N CB 0.779 39.379 38.487 0.188 0.000 1.523 608 N HN 0.522 nan 8.380 nan 0.000 0.518 609 D N -1.569 118.856 120.400 0.041 0.000 2.349 609 D HA -0.041 4.629 4.640 0.050 0.000 0.224 609 D C -0.409 175.856 176.300 -0.058 0.000 1.029 609 D CA 0.708 54.657 54.000 -0.086 0.000 0.879 609 D CB -0.045 40.774 40.800 0.032 0.000 0.906 609 D HN 0.736 nan 8.370 nan 0.000 0.528 610 E N 0.625 120.810 120.200 -0.026 0.000 3.832 610 E HA 0.174 4.554 4.350 0.050 0.000 0.250 610 E C -1.020 175.569 176.600 -0.018 0.000 1.215 610 E CA -0.347 56.037 56.400 -0.026 0.000 1.179 610 E CB 1.178 30.871 29.700 -0.012 0.000 1.270 610 E HN -0.123 nan 8.360 nan 0.000 0.405 611 V N 2.046 121.943 119.914 -0.029 0.000 2.720 611 V HA -0.071 4.079 4.120 0.050 0.000 0.307 611 V C 0.966 177.047 176.094 -0.022 0.000 1.071 611 V CA 0.664 62.953 62.300 -0.018 0.000 1.199 611 V CB 0.402 32.209 31.823 -0.027 0.000 0.900 611 V HN 0.479 nan 8.190 nan 0.000 0.494 612 R N 3.829 124.317 120.500 -0.021 0.000 2.435 612 R HA 0.017 4.388 4.340 0.050 0.000 0.325 612 R C 1.670 177.949 176.300 -0.034 0.000 1.149 612 R CA 0.518 56.600 56.100 -0.031 0.000 0.995 612 R CB 0.115 30.391 30.300 -0.039 0.000 1.008 612 R HN 1.017 nan 8.270 nan 0.000 0.470 613 S N 3.192 118.873 115.700 -0.030 0.000 2.383 613 S HA -0.264 4.236 4.470 0.050 0.000 0.229 613 S C 1.998 176.581 174.600 -0.029 0.000 1.030 613 S CA 1.037 59.220 58.200 -0.028 0.000 1.002 613 S CB -0.203 62.982 63.200 -0.025 0.000 0.829 613 S HN 0.684 nan 8.310 nan 0.000 0.467 614 A N 2.198 124.997 122.820 -0.034 0.000 1.972 614 A HA -0.113 4.237 4.320 0.050 0.000 0.219 614 A C 1.960 179.513 177.584 -0.051 0.000 1.169 614 A CA 1.639 53.653 52.037 -0.038 0.000 0.635 614 A CB -0.821 18.156 19.000 -0.039 0.000 0.810 614 A HN 0.478 nan 8.150 nan 0.000 0.446 615 D N -0.106 120.253 120.400 -0.067 0.000 2.084 615 D HA -0.138 4.532 4.640 0.050 0.000 0.194 615 D C 1.938 178.206 176.300 -0.053 0.000 0.990 615 D CA 0.937 54.880 54.000 -0.095 0.000 0.826 615 D CB -0.409 40.322 40.800 -0.116 0.000 0.971 615 D HN 0.362 nan 8.370 nan 0.000 0.453 616 L N 0.427 121.632 121.223 -0.030 0.000 2.046 616 L HA -0.159 4.212 4.340 0.050 0.000 0.208 616 L C 2.462 179.330 176.870 -0.003 0.000 1.077 616 L CA 0.869 55.704 54.840 -0.008 0.000 0.747 616 L CB -0.269 41.785 42.059 -0.009 0.000 0.896 616 L HN 0.092 nan 8.230 nan 0.000 0.432 617 L N -0.540 120.677 121.223 -0.010 0.000 2.042 617 L HA -0.237 4.133 4.340 0.050 0.000 0.210 617 L C 2.779 179.650 176.870 0.001 0.000 1.076 617 L CA 1.363 56.200 54.840 -0.005 0.000 0.749 617 L CB -0.615 41.439 42.059 -0.010 0.000 0.893 617 L HN 0.303 nan 8.230 nan 0.000 0.432 618 A N 0.038 122.855 122.820 -0.004 0.000 1.898 618 A HA -0.148 4.202 4.320 0.050 0.000 0.216 618 A C 2.182 179.786 177.584 0.034 0.000 1.181 618 A CA 1.346 53.388 52.037 0.008 0.000 0.620 618 A CB -0.594 18.401 19.000 -0.007 0.000 0.819 618 A HN 0.330 nan 8.150 nan 0.000 0.442 619 I N -0.140 120.455 120.570 0.042 0.000 2.127 619 I HA -0.288 3.912 4.170 0.050 0.000 0.241 619 I C 2.369 178.517 176.117 0.053 0.000 1.075 619 I CA 1.376 62.722 61.300 0.076 0.000 1.334 619 I CB -0.363 37.688 38.000 0.085 0.000 1.040 619 I HN 0.280 nan 8.210 nan 0.000 0.405 620 L N 0.300 121.545 121.223 0.036 0.000 2.093 620 L HA -0.191 4.179 4.340 0.050 0.000 0.208 620 L C 2.602 179.485 176.870 0.023 0.000 1.085 620 L CA 1.193 56.051 54.840 0.030 0.000 0.755 620 L CB -0.612 41.462 42.059 0.025 0.000 0.904 620 L HN 0.241 nan 8.230 nan 0.000 0.435 621 K N 0.649 121.061 120.400 0.020 0.000 2.057 621 K HA -0.184 4.166 4.320 0.050 0.000 0.207 621 K C 2.093 178.702 176.600 0.015 0.000 1.049 621 K CA 1.477 57.773 56.287 0.015 0.000 0.931 621 K CB -0.028 32.480 32.500 0.013 0.000 0.714 621 K HN 0.277 nan 8.250 nan 0.000 0.440 622 A N 0.835 123.670 122.820 0.024 0.000 1.970 622 A HA 0.013 4.363 4.320 0.050 0.000 0.216 622 A C 2.032 179.622 177.584 0.010 0.000 1.170 622 A CA 0.635 52.685 52.037 0.022 0.000 0.645 622 A CB -0.310 18.715 19.000 0.041 0.000 0.816 622 A HN 0.257 nan 8.150 nan 0.000 0.447 623 L N -0.602 120.628 121.223 0.012 0.000 2.027 623 L HA -0.167 4.203 4.340 0.050 0.000 0.206 623 L C 2.604 179.457 176.870 -0.028 0.000 1.074 623 L CA 1.910 56.746 54.840 -0.007 0.000 0.745 623 L CB -0.450 41.613 42.059 0.007 0.000 0.898 623 L HN 0.435 nan 8.230 nan 0.000 0.433 624 K N 0.522 120.915 120.400 -0.012 0.000 2.063 624 K HA -0.198 4.152 4.320 0.050 0.000 0.208 624 K C 2.082 178.666 176.600 -0.027 0.000 1.048 624 K CA 1.423 57.699 56.287 -0.019 0.000 0.928 624 K CB -0.117 32.384 32.500 0.001 0.000 0.713 624 K HN 0.268 nan 8.250 nan 0.000 0.442 625 A N 0.869 123.679 122.820 -0.017 0.000 2.019 625 A HA -0.121 4.229 4.320 0.050 0.000 0.219 625 A C 1.550 179.119 177.584 -0.027 0.000 1.164 625 A CA 1.403 53.430 52.037 -0.016 0.000 0.644 625 A CB -0.138 18.858 19.000 -0.006 0.000 0.805 625 A HN 0.169 nan 8.150 nan 0.000 0.449 626 K N -1.494 118.883 120.400 -0.037 0.000 2.358 626 K HA 0.210 4.560 4.320 0.050 0.000 0.197 626 K C 0.930 177.479 176.600 -0.083 0.000 1.025 626 K CA 0.615 56.874 56.287 -0.047 0.000 1.104 626 K CB 0.134 32.611 32.500 -0.038 0.000 0.855 626 K HN 0.696 nan 8.250 nan 0.000 0.531 627 G N 1.662 110.396 108.800 -0.110 0.000 2.176 627 G HA2 -0.231 3.759 3.960 0.050 0.000 0.252 627 G HA3 -0.231 3.759 3.960 0.050 0.000 0.252 627 G C 0.054 174.750 174.900 -0.341 0.000 1.024 627 G CA 0.237 45.220 45.100 -0.195 0.000 0.755 627 G HN 0.116 nan 8.290 nan 0.000 0.507 628 V N 0.705 120.469 119.914 -0.249 0.000 2.439 628 V HA 0.477 4.627 4.120 0.050 0.000 0.282 628 V C 0.784 176.722 176.094 -0.260 0.000 1.039 628 V CA -0.757 61.395 62.300 -0.247 0.000 0.913 628 V CB 1.130 32.895 31.823 -0.098 0.000 0.983 628 V HN 0.456 nan 8.190 nan 0.000 0.460 629 H N 1.877 120.958 119.070 0.018 0.000 2.508 629 H HA 0.748 5.334 4.556 0.050 0.000 0.358 629 H C 0.204 175.551 175.328 0.033 0.000 1.212 629 H CA 0.118 56.180 56.048 0.023 0.000 1.356 629 H CB 1.220 30.997 29.762 0.024 0.000 1.525 629 H HN 0.841 nan 8.280 nan 0.000 0.578 630 A N 1.245 124.172 122.820 0.179 0.000 2.435 630 A HA 0.515 4.865 4.320 0.050 0.000 0.304 630 A C -1.132 176.509 177.584 0.095 0.000 1.064 630 A CA -1.053 51.051 52.037 0.112 0.000 0.727 630 A CB 1.162 20.209 19.000 0.079 0.000 1.284 630 A HN 0.780 nan 8.150 nan 0.000 0.415 631 K N 2.378 122.828 120.400 0.084 0.000 2.376 631 K HA 0.703 5.053 4.320 0.050 0.000 0.257 631 K C -1.488 175.142 176.600 0.049 0.000 0.939 631 K CA -0.520 55.807 56.287 0.066 0.000 0.809 631 K CB 1.525 34.073 32.500 0.079 0.000 1.121 631 K HN 0.512 nan 8.250 nan 0.000 0.425 632 L N 4.218 125.460 121.223 0.033 0.000 2.265 632 L HA 0.355 4.725 4.340 0.050 0.000 0.288 632 L C -0.755 176.122 176.870 0.010 0.000 1.058 632 L CA -1.084 53.769 54.840 0.021 0.000 0.809 632 L CB 0.496 42.560 42.059 0.007 0.000 1.179 632 L HN 0.485 nan 8.230 nan 0.000 0.429 633 L N 4.161 125.395 121.223 0.017 0.000 2.341 633 L HA 0.645 5.015 4.340 0.050 0.000 0.267 633 L C -0.569 176.242 176.870 -0.099 0.000 1.009 633 L CA -0.471 54.339 54.840 -0.051 0.000 0.819 633 L CB 1.796 43.844 42.059 -0.018 0.000 1.323 633 L HN 0.379 nan 8.230 nan 0.000 0.425 634 Y N -0.854 119.021 120.300 -0.709 0.000 2.958 634 Y HA 0.314 4.894 4.550 0.050 0.000 0.315 634 Y C 0.582 175.769 175.900 -1.188 0.000 1.541 634 Y CA -0.394 57.216 58.100 -0.817 0.000 1.087 634 Y CB 1.204 39.486 38.460 -0.297 0.000 1.593 634 Y HN 0.507 nan 8.280 nan 0.000 0.446 635 S N 0.692 115.509 115.700 -1.472 0.000 2.556 635 S HA 0.338 4.838 4.470 0.050 0.000 0.216 635 S C -0.076 174.254 174.600 -0.449 0.000 0.970 635 S CA 0.176 57.861 58.200 -0.859 0.000 0.912 635 S CB -0.119 62.708 63.200 -0.623 0.000 0.790 635 S HN 0.623 nan 8.310 nan 0.000 0.504 636 R N -1.109 119.204 120.500 -0.312 0.000 2.733 636 R HA 0.596 4.967 4.340 0.050 0.000 0.272 636 R C -0.891 175.406 176.300 -0.005 0.000 1.029 636 R CA -1.074 54.970 56.100 -0.093 0.000 0.888 636 R CB 0.436 30.722 30.300 -0.023 0.000 1.251 636 R HN -0.083 nan 8.270 nan 0.000 0.464 637 M N 0.195 119.794 119.600 -0.003 0.000 2.012 637 M HA 0.496 5.006 4.480 0.050 0.000 0.248 637 M C 1.076 177.392 176.300 0.027 0.000 1.238 637 M CA 1.063 56.368 55.300 0.007 0.000 0.980 637 M CB 0.371 32.968 32.600 -0.006 0.000 1.346 637 M HN 1.058 nan 8.290 nan 0.000 0.511 638 G N 0.650 109.456 108.800 0.009 0.000 2.709 638 G HA2 -0.121 3.869 3.960 0.050 0.000 0.228 638 G HA3 -0.121 3.869 3.960 0.050 0.000 0.228 638 G C -0.776 174.114 174.900 -0.017 0.000 1.215 638 G CA 0.108 45.209 45.100 0.001 0.000 1.003 638 G HN 0.983 nan 8.290 nan 0.000 0.584 639 E N -1.213 118.967 120.200 -0.034 0.000 2.413 639 E HA 0.684 5.064 4.350 0.050 0.000 0.277 639 E C -0.416 176.110 176.600 -0.125 0.000 0.958 639 E CA -0.587 55.771 56.400 -0.070 0.000 0.779 639 E CB 2.408 32.078 29.700 -0.050 0.000 1.278 639 E HN 1.671 nan 8.360 nan 0.000 0.456 640 V N -1.771 118.031 119.914 -0.186 0.000 3.155 640 V HA 0.777 4.927 4.120 0.050 0.000 0.313 640 V C -0.489 175.519 176.094 -0.143 0.000 1.162 640 V CA -0.718 61.446 62.300 -0.227 0.000 1.048 640 V CB 1.719 33.277 31.823 -0.442 0.000 1.092 640 V HN 0.774 nan 8.190 nan 0.000 0.447 641 T N 1.518 115.999 114.554 -0.120 0.000 2.812 641 T HA 0.795 5.175 4.350 0.050 0.000 0.282 641 T C 0.101 174.759 174.700 -0.070 0.000 0.990 641 T CA 0.226 62.280 62.100 -0.077 0.000 0.960 641 T CB 1.342 70.177 68.868 -0.054 0.000 0.948 641 T HN 1.324 nan 8.240 nan 0.000 0.438 642 A N 2.112 124.898 122.820 -0.057 0.000 2.280 642 A HA 0.400 4.751 4.320 0.050 0.000 0.268 642 A C 1.479 179.043 177.584 -0.034 0.000 1.111 642 A CA -0.347 51.662 52.037 -0.045 0.000 0.814 642 A CB 0.080 19.057 19.000 -0.038 0.000 1.093 642 A HN 0.903 nan 8.150 nan 0.000 0.498 643 D N -0.151 120.231 120.400 -0.029 0.000 2.221 643 D HA -0.179 4.491 4.640 0.050 0.000 0.204 643 D C 0.531 176.819 176.300 -0.022 0.000 0.982 643 D CA 1.526 55.512 54.000 -0.023 0.000 0.857 643 D CB -0.316 40.471 40.800 -0.022 0.000 0.934 643 D HN 0.599 nan 8.370 nan 0.000 0.475 644 D N -1.466 118.921 120.400 -0.022 0.000 2.342 644 D HA 0.223 4.893 4.640 0.050 0.000 0.221 644 D C 1.614 177.902 176.300 -0.020 0.000 1.101 644 D CA 0.216 54.204 54.000 -0.020 0.000 0.837 644 D CB -0.109 40.680 40.800 -0.019 0.000 0.938 644 D HN 0.313 nan 8.370 nan 0.000 0.508 645 G N -0.086 108.701 108.800 -0.023 0.000 2.179 645 G HA2 -0.290 3.701 3.960 0.050 0.000 0.260 645 G HA3 -0.290 3.701 3.960 0.050 0.000 0.260 645 G C 0.436 175.321 174.900 -0.025 0.000 0.977 645 G CA 0.380 45.466 45.100 -0.023 0.000 0.641 645 G HN 0.455 nan 8.290 nan 0.000 0.533 646 T N 1.069 115.608 114.554 -0.025 0.000 2.902 646 T HA 0.396 4.776 4.350 0.050 0.000 0.301 646 T C 0.648 175.328 174.700 -0.033 0.000 1.012 646 T CA 0.089 62.174 62.100 -0.025 0.000 1.151 646 T CB 2.144 70.998 68.868 -0.024 0.000 0.946 646 T HN 0.425 nan 8.240 nan 0.000 0.542 647 V N 5.725 125.620 119.914 -0.031 0.000 2.406 647 V HA 0.286 4.437 4.120 0.050 0.000 0.272 647 V C 0.210 176.280 176.094 -0.041 0.000 1.043 647 V CA -0.547 61.729 62.300 -0.039 0.000 0.915 647 V CB 0.628 32.432 31.823 -0.032 0.000 0.988 647 V HN 0.667 nan 8.190 nan 0.000 0.466 648 L N 8.154 129.342 121.223 -0.058 0.000 2.276 648 L HA 0.459 4.829 4.340 0.050 0.000 0.286 648 L C -2.397 174.435 176.870 -0.062 0.000 1.024 648 L CA -1.860 52.946 54.840 -0.058 0.000 0.826 648 L CB 1.624 43.639 42.059 -0.075 0.000 1.211 648 L HN 0.400 nan 8.230 nan 0.000 0.422 649 P HA 0.222 nan 4.420 nan 0.000 0.276 649 P C -0.381 176.901 177.300 -0.030 0.000 1.243 649 P CA -0.001 63.081 63.100 -0.031 0.000 0.768 649 P CB 0.795 32.486 31.700 -0.016 0.000 0.856 650 I N 2.445 122.996 120.570 -0.030 0.000 2.395 650 I HA 0.187 4.387 4.170 0.050 0.000 0.289 650 I C 1.583 177.694 176.117 -0.010 0.000 1.023 650 I CA -0.157 61.131 61.300 -0.020 0.000 1.350 650 I CB 1.185 39.182 38.000 -0.006 0.000 1.409 650 I HN 0.353 nan 8.210 nan 0.000 0.507 651 A N 5.161 127.978 122.820 -0.005 0.000 1.935 651 A HA 0.613 4.963 4.320 0.050 0.000 0.214 651 A C 0.979 178.564 177.584 0.001 0.000 1.178 651 A CA 1.177 53.216 52.037 0.004 0.000 0.640 651 A CB 0.028 19.039 19.000 0.017 0.000 0.825 651 A HN 0.801 nan 8.150 nan 0.000 0.447 652 A N -1.871 120.942 122.820 -0.011 0.000 2.564 652 A HA 0.589 4.939 4.320 0.050 0.000 0.291 652 A C -0.023 177.511 177.584 -0.083 0.000 1.102 652 A CA 0.104 52.129 52.037 -0.019 0.000 0.660 652 A CB -0.187 18.826 19.000 0.023 0.000 1.283 652 A HN 0.708 nan 8.150 nan 0.000 0.430 653 T N -1.542 112.957 114.554 -0.092 0.000 2.849 653 T HA 0.530 4.910 4.350 0.050 0.000 0.284 653 T C 0.999 175.633 174.700 -0.111 0.000 1.004 653 T CA 0.071 62.043 62.100 -0.213 0.000 1.021 653 T CB 0.028 68.811 68.868 -0.142 0.000 1.013 653 T HN 0.463 nan 8.240 nan 0.000 0.527 654 F N 0.711 120.673 119.950 0.019 0.000 2.087 654 F HA -0.114 4.443 4.527 0.050 0.000 0.299 654 F C 2.997 178.929 175.800 0.220 0.000 1.100 654 F CA 1.244 59.310 58.000 0.109 0.000 1.226 654 F CB -0.809 38.234 39.000 0.072 0.000 0.983 654 F HN 0.708 nan 8.300 nan 0.000 0.479 655 A N 0.353 123.346 122.820 0.288 0.000 1.929 655 A HA 0.014 4.364 4.320 0.050 0.000 0.216 655 A C 2.438 180.095 177.584 0.121 0.000 1.176 655 A CA 1.477 53.620 52.037 0.177 0.000 0.628 655 A CB -1.489 17.570 19.000 0.099 0.000 0.816 655 A HN 0.408 nan 8.150 nan 0.000 0.444 656 G N -0.821 108.034 108.800 0.092 0.000 2.422 656 G HA2 0.244 4.234 3.960 0.050 0.000 0.218 656 G HA3 0.244 4.234 3.960 0.050 0.000 0.218 656 G C 0.668 175.621 174.900 0.088 0.000 1.140 656 G CA 1.028 46.166 45.100 0.063 0.000 0.775 656 G HN 1.121 nan 8.290 nan 0.000 0.545 657 A N 0.596 123.505 122.820 0.149 0.000 3.030 657 A HA 0.708 5.059 4.320 0.050 0.000 0.335 657 A C -2.733 175.017 177.584 0.277 0.000 1.089 657 A CA -1.132 51.010 52.037 0.174 0.000 0.807 657 A CB 1.338 20.435 19.000 0.161 0.000 1.099 657 A HN 0.089 nan 8.150 nan 0.000 0.474 658 P HA 0.052 nan 4.420 nan 0.000 0.271 658 P C 1.378 178.531 177.300 -0.244 0.000 1.233 658 P CA 0.271 63.330 63.100 -0.068 0.000 0.789 658 P CB 0.822 32.466 31.700 -0.092 0.000 0.951 659 S N 1.134 116.327 115.700 -0.847 0.000 2.440 659 S HA -0.167 4.333 4.470 0.050 0.000 0.238 659 S C 1.729 176.193 174.600 -0.227 0.000 1.010 659 S CA 1.140 58.996 58.200 -0.573 0.000 0.972 659 S CB -1.337 61.421 63.200 -0.737 0.000 0.774 659 S HN 0.326 nan 8.310 nan 0.000 0.501 660 L N 1.733 122.824 121.223 -0.220 0.000 2.129 660 L HA -0.108 4.262 4.340 0.050 0.000 0.212 660 L C 2.866 179.572 176.870 -0.275 0.000 1.087 660 L CA 1.715 56.419 54.840 -0.226 0.000 0.757 660 L CB -1.423 40.480 42.059 -0.260 0.000 0.896 660 L HN 0.649 nan 8.230 nan 0.000 0.434 661 T N -3.272 111.199 114.554 -0.139 0.000 3.107 661 T HA 0.261 4.641 4.350 0.050 0.000 0.249 661 T C 0.271 175.081 174.700 0.184 0.000 1.096 661 T CA 0.060 62.171 62.100 0.019 0.000 1.012 661 T CB -0.371 68.599 68.868 0.170 0.000 0.977 661 T HN 0.153 nan 8.240 nan 0.000 0.527 662 V N -2.969 117.005 119.914 0.100 0.000 3.126 662 V HA 0.578 4.728 4.120 0.050 0.000 0.314 662 V C -0.261 175.882 176.094 0.081 0.000 1.138 662 V CA -0.980 61.400 62.300 0.133 0.000 1.034 662 V CB 2.187 34.103 31.823 0.155 0.000 1.075 662 V HN 0.007 nan 8.190 nan 0.000 0.442 663 D N 0.911 121.358 120.400 0.079 0.000 2.366 663 D HA 0.499 5.169 4.640 0.050 0.000 0.205 663 D C 0.555 176.839 176.300 -0.028 0.000 1.022 663 D CA 1.467 55.486 54.000 0.031 0.000 0.868 663 D CB 1.558 42.397 40.800 0.065 0.000 0.953 663 D HN 0.994 nan 8.370 nan 0.000 0.514 664 A N 0.196 123.017 122.820 0.002 0.000 2.601 664 A HA 0.527 4.877 4.320 0.050 0.000 0.291 664 A C -1.612 175.991 177.584 0.031 0.000 1.075 664 A CA -0.551 51.475 52.037 -0.019 0.000 0.671 664 A CB 1.526 20.500 19.000 -0.043 0.000 1.277 664 A HN -0.104 nan 8.150 nan 0.000 0.417 665 V N 1.143 121.071 119.914 0.023 0.000 2.531 665 V HA 0.544 4.694 4.120 0.050 0.000 0.301 665 V C -0.714 175.393 176.094 0.022 0.000 1.034 665 V CA -0.187 62.143 62.300 0.049 0.000 0.865 665 V CB 1.449 33.323 31.823 0.084 0.000 0.995 665 V HN 0.684 nan 8.190 nan 0.000 0.424 666 I N 4.397 124.989 120.570 0.038 0.000 2.404 666 I HA 0.554 4.754 4.170 0.050 0.000 0.293 666 I C -0.633 175.523 176.117 0.065 0.000 0.992 666 I CA -0.913 60.436 61.300 0.081 0.000 1.149 666 I CB 2.107 40.183 38.000 0.127 0.000 1.315 666 I HN 0.293 nan 8.210 nan 0.000 0.446 667 V N 7.570 127.542 119.914 0.095 0.000 2.334 667 V HA 0.384 4.534 4.120 0.050 0.000 0.281 667 V C -2.092 174.072 176.094 0.117 0.000 1.016 667 V CA -1.580 60.770 62.300 0.083 0.000 0.832 667 V CB 1.080 32.947 31.823 0.072 0.000 0.999 667 V HN 0.570 nan 8.190 nan 0.000 0.439 668 P HA 0.435 nan 4.420 nan 0.000 0.277 668 P C -0.273 177.047 177.300 0.033 0.000 1.271 668 P CA -0.316 62.804 63.100 0.032 0.000 0.795 668 P CB 1.095 32.803 31.700 0.015 0.000 1.101 669 A N -0.524 122.289 122.820 -0.013 0.000 2.280 669 A HA 0.694 5.044 4.320 0.050 0.000 0.268 669 A C 0.717 178.304 177.584 0.004 0.000 1.111 669 A CA 0.552 52.585 52.037 -0.006 0.000 0.814 669 A CB -0.655 18.322 19.000 -0.038 0.000 1.093 669 A HN 0.842 nan 8.150 nan 0.000 0.498 670 G N -0.395 108.408 108.800 0.004 0.000 2.366 670 G HA2 0.098 4.088 3.960 0.050 0.000 0.190 670 G HA3 0.098 4.088 3.960 0.050 0.000 0.190 670 G C -0.657 174.250 174.900 0.011 0.000 1.299 670 G CA -0.097 45.006 45.100 0.005 0.000 1.056 670 G HN 0.978 nan 8.290 nan 0.000 0.468 671 N N 1.942 120.655 118.700 0.022 0.000 2.819 671 N HA 0.204 4.974 4.740 0.050 0.000 0.284 671 N C 1.698 177.238 175.510 0.050 0.000 1.196 671 N CA -0.324 52.743 53.050 0.029 0.000 1.114 671 N CB -0.230 38.278 38.487 0.034 0.000 1.437 671 N HN 0.380 nan 8.380 nan 0.000 0.518 672 I N 0.941 121.525 120.570 0.023 0.000 2.493 672 I HA -0.179 4.021 4.170 0.050 0.000 0.254 672 I C 1.947 178.068 176.117 0.008 0.000 1.160 672 I CA 0.629 61.942 61.300 0.021 0.000 1.445 672 I CB -1.309 36.655 38.000 -0.060 0.000 1.086 672 I HN 0.463 nan 8.210 nan 0.000 0.433 673 A N 0.554 123.370 122.820 -0.007 0.000 2.070 673 A HA -0.262 4.088 4.320 0.050 0.000 0.220 673 A C 2.027 179.635 177.584 0.040 0.000 1.159 673 A CA 1.882 53.915 52.037 -0.006 0.000 0.656 673 A CB -0.675 18.319 19.000 -0.010 0.000 0.800 673 A HN 0.405 nan 8.150 nan 0.000 0.453 674 D N 0.222 120.670 120.400 0.079 0.000 2.178 674 D HA -0.142 4.528 4.640 0.050 0.000 0.201 674 D C 1.531 177.918 176.300 0.144 0.000 0.980 674 D CA 1.785 55.859 54.000 0.124 0.000 0.842 674 D CB -0.132 40.777 40.800 0.181 0.000 0.948 674 D HN 0.659 nan 8.370 nan 0.000 0.472 675 I N -4.437 116.235 120.570 0.169 0.000 4.403 675 I HA 0.467 4.667 4.170 0.050 0.000 0.331 675 I C 1.942 178.204 176.117 0.240 0.000 1.327 675 I CA -0.055 61.373 61.300 0.214 0.000 1.175 675 I CB -0.028 38.142 38.000 0.283 0.000 1.165 675 I HN -0.112 nan 8.210 nan 0.000 0.413 676 A N 1.696 124.601 122.820 0.142 0.000 1.986 676 A HA -0.203 4.147 4.320 0.050 0.000 0.220 676 A C 1.490 179.121 177.584 0.077 0.000 1.171 676 A CA 2.366 54.401 52.037 -0.002 0.000 0.640 676 A CB -0.552 18.340 19.000 -0.180 0.000 0.811 676 A HN 0.525 nan 8.150 nan 0.000 0.451 677 D N -0.909 119.531 120.400 0.065 0.000 2.402 677 D HA 0.055 4.726 4.640 0.050 0.000 0.216 677 D C -0.016 176.322 176.300 0.063 0.000 1.128 677 D CA -0.220 53.812 54.000 0.053 0.000 0.833 677 D CB -0.223 40.592 40.800 0.025 0.000 0.971 677 D HN 0.312 nan 8.370 nan 0.000 0.503 678 N N 1.044 119.795 118.700 0.085 0.000 2.420 678 N HA 0.028 4.798 4.740 0.050 0.000 0.262 678 N C 1.399 176.939 175.510 0.050 0.000 1.144 678 N CA 0.124 53.215 53.050 0.069 0.000 0.952 678 N CB 1.407 39.947 38.487 0.089 0.000 1.081 678 N HN 0.044 nan 8.380 nan 0.000 0.480 679 G N 3.392 112.221 108.800 0.048 0.000 2.446 679 G HA2 -0.269 3.721 3.960 0.050 0.000 0.217 679 G HA3 -0.269 3.721 3.960 0.050 0.000 0.217 679 G C 0.978 175.913 174.900 0.059 0.000 1.168 679 G CA 0.572 45.700 45.100 0.046 0.000 0.771 679 G HN 0.600 nan 8.290 nan 0.000 0.551 680 D N 0.931 121.373 120.400 0.070 0.000 2.123 680 D HA -0.046 4.624 4.640 0.050 0.000 0.196 680 D C 2.793 179.068 176.300 -0.043 0.000 0.992 680 D CA 1.284 55.353 54.000 0.116 0.000 0.833 680 D CB -0.440 40.502 40.800 0.237 0.000 0.954 680 D HN 0.321 nan 8.370 nan 0.000 0.455 681 A N 0.961 123.587 122.820 -0.324 0.000 1.898 681 A HA -0.165 4.186 4.320 0.050 0.000 0.216 681 A C 2.026 179.353 177.584 -0.428 0.000 1.181 681 A CA 1.154 52.747 52.037 -0.740 0.000 0.620 681 A CB -0.437 18.086 19.000 -0.795 0.000 0.819 681 A HN 0.146 nan 8.150 nan 0.000 0.442 682 N N -1.397 117.190 118.700 -0.188 0.000 2.084 682 N HA -0.196 4.574 4.740 0.050 0.000 0.190 682 N C 1.708 177.169 175.510 -0.082 0.000 1.030 682 N CA 1.844 54.831 53.050 -0.104 0.000 0.849 682 N CB -0.471 38.051 38.487 0.058 0.000 1.012 682 N HN 0.681 nan 8.380 nan 0.000 0.423 683 Y N 0.669 120.906 120.300 -0.105 0.000 2.224 683 Y HA -0.277 4.302 4.550 0.050 0.000 0.289 683 Y C 2.399 178.230 175.900 -0.115 0.000 1.146 683 Y CA 1.257 59.301 58.100 -0.093 0.000 1.182 683 Y CB -0.399 38.019 38.460 -0.070 0.000 0.983 683 Y HN 0.016 nan 8.280 nan 0.000 0.524 684 Y N 0.515 120.673 120.300 -0.236 0.000 2.040 684 Y HA -0.384 4.197 4.550 0.050 0.000 0.275 684 Y C 2.212 177.903 175.900 -0.348 0.000 1.171 684 Y CA 2.399 60.330 58.100 -0.282 0.000 1.123 684 Y CB -0.704 37.581 38.460 -0.291 0.000 0.963 684 Y HN 0.121 nan 8.280 nan 0.000 0.493 685 L N -1.017 120.119 121.223 -0.145 0.000 2.083 685 L HA -0.294 4.076 4.340 0.050 0.000 0.209 685 L C 2.475 179.216 176.870 -0.216 0.000 1.083 685 L CA 1.590 56.324 54.840 -0.177 0.000 0.752 685 L CB -0.555 41.352 42.059 -0.254 0.000 0.899 685 L HN 0.339 nan 8.230 nan 0.000 0.433 686 M N -0.676 118.738 119.600 -0.310 0.000 2.117 686 M HA -0.226 4.284 4.480 0.050 0.000 0.262 686 M C 2.268 178.303 176.300 -0.441 0.000 1.065 686 M CA 1.719 56.830 55.300 -0.315 0.000 1.114 686 M CB -0.396 32.016 32.600 -0.314 0.000 1.361 686 M HN 0.229 nan 8.290 nan 0.000 0.408 687 E N 0.685 120.422 120.200 -0.772 0.000 2.031 687 E HA -0.198 4.182 4.350 0.050 0.000 0.193 687 E C 2.027 178.252 176.600 -0.626 0.000 0.994 687 E CA 1.377 57.282 56.400 -0.825 0.000 0.800 687 E CB -0.040 29.111 29.700 -0.914 0.000 0.752 687 E HN 0.447 nan 8.360 nan 0.000 0.447 688 A N 0.378 122.950 122.820 -0.413 0.000 1.917 688 A HA -0.246 4.104 4.320 0.050 0.000 0.219 688 A C 2.093 179.570 177.584 -0.178 0.000 1.182 688 A CA 1.797 53.692 52.037 -0.235 0.000 0.633 688 A CB -1.063 17.859 19.000 -0.129 0.000 0.819 688 A HN 0.606 nan 8.150 nan 0.000 0.448 689 Y N 0.396 120.532 120.300 -0.273 0.000 2.114 689 Y HA -0.202 4.378 4.550 0.050 0.000 0.284 689 Y C 2.431 178.208 175.900 -0.206 0.000 1.143 689 Y CA 2.372 60.345 58.100 -0.211 0.000 1.135 689 Y CB -0.320 38.031 38.460 -0.183 0.000 0.980 689 Y HN 0.321 nan 8.280 nan 0.000 0.499 690 K N -0.554 119.729 120.400 -0.195 0.000 2.074 690 K HA -0.257 4.093 4.320 0.050 0.000 0.209 690 K C 1.228 177.717 176.600 -0.184 0.000 1.048 690 K CA 2.205 58.351 56.287 -0.235 0.000 0.926 690 K CB -0.492 31.821 32.500 -0.311 0.000 0.713 690 K HN 0.607 nan 8.250 nan 0.000 0.444 691 H N 0.130 119.076 119.070 -0.207 0.000 2.536 691 H HA 0.165 4.751 4.556 0.051 0.000 0.276 691 H C 0.037 175.206 175.328 -0.264 0.000 1.019 691 H CA 0.250 56.175 56.048 -0.205 0.000 1.159 691 H CB 0.093 29.732 29.762 -0.204 0.000 1.373 691 H HN 0.141 nan 8.280 nan 0.000 0.584 692 L N -0.178 120.901 121.223 -0.240 0.000 4.351 692 L HA -0.264 4.106 4.340 0.050 0.000 0.410 692 L C -0.342 176.278 176.870 -0.416 0.000 1.150 692 L CA 0.498 55.111 54.840 -0.378 0.000 0.961 692 L CB -1.731 40.096 42.059 -0.387 0.000 2.130 692 L HN 0.295 nan 8.230 nan 0.000 0.787 693 K N 1.075 121.292 120.400 -0.304 0.000 2.218 693 K HA 0.439 4.789 4.320 0.050 0.000 0.276 693 K C -2.125 174.343 176.600 -0.221 0.000 1.022 693 K CA -1.773 54.354 56.287 -0.268 0.000 0.946 693 K CB 0.481 32.873 32.500 -0.179 0.000 1.000 693 K HN -0.195 nan 8.250 nan 0.000 0.468 694 P HA 0.055 nan 4.420 nan 0.000 0.265 694 P C -0.747 176.491 177.300 -0.103 0.000 1.193 694 P CA 0.388 63.392 63.100 -0.161 0.000 0.765 694 P CB 0.405 32.006 31.700 -0.165 0.000 0.823 695 I N 1.806 122.329 120.570 -0.078 0.000 2.533 695 I HA 0.616 4.816 4.170 0.050 0.000 0.290 695 I C -0.355 175.721 176.117 -0.069 0.000 1.056 695 I CA -0.814 60.461 61.300 -0.043 0.000 1.057 695 I CB 2.237 40.239 38.000 0.003 0.000 1.240 695 I HN 0.260 nan 8.210 nan 0.000 0.423 696 A N 7.467 130.253 122.820 -0.056 0.000 2.355 696 A HA 0.931 5.281 4.320 0.050 0.000 0.317 696 A C -1.159 176.529 177.584 0.172 0.000 1.094 696 A CA -0.461 51.521 52.037 -0.091 0.000 0.764 696 A CB 1.139 19.890 19.000 -0.416 0.000 1.230 696 A HN 0.665 nan 8.150 nan 0.000 0.448 697 L N 1.928 123.323 121.223 0.285 0.000 2.406 697 L HA 0.720 5.090 4.340 0.050 0.000 0.272 697 L C 0.174 177.244 176.870 0.334 0.000 0.980 697 L CA -0.558 54.452 54.840 0.282 0.000 0.831 697 L CB 2.002 44.171 42.059 0.183 0.000 1.253 697 L HN 0.802 nan 8.230 nan 0.000 0.406 698 A N 2.066 124.986 122.820 0.166 0.000 2.324 698 A HA 0.872 5.222 4.320 0.050 0.000 0.330 698 A C 0.688 178.257 177.584 -0.025 0.000 1.165 698 A CA 0.283 52.286 52.037 -0.057 0.000 0.813 698 A CB 1.248 20.061 19.000 -0.312 0.000 1.197 698 A HN 0.993 nan 8.150 nan 0.000 0.484 699 G N 1.558 110.329 108.800 -0.048 0.000 2.660 699 G HA2 -0.369 3.621 3.960 0.050 0.000 0.321 699 G HA3 -0.369 3.621 3.960 0.050 0.000 0.321 699 G C 0.632 175.523 174.900 -0.014 0.000 1.246 699 G CA 1.095 46.175 45.100 -0.035 0.000 1.000 699 G HN 0.736 nan 8.290 nan 0.000 0.550 700 D N 1.409 121.796 120.400 -0.022 0.000 2.348 700 D HA 0.300 4.970 4.640 0.050 0.000 0.216 700 D C 2.599 178.873 176.300 -0.043 0.000 0.970 700 D CA 1.492 55.468 54.000 -0.039 0.000 0.889 700 D CB -0.608 40.164 40.800 -0.047 0.000 0.912 700 D HN 0.732 nan 8.370 nan 0.000 0.524 701 A N 0.377 123.215 122.820 0.029 0.000 2.070 701 A HA -0.175 4.175 4.320 0.050 0.000 0.220 701 A C 2.027 179.689 177.584 0.129 0.000 1.159 701 A CA 0.851 52.970 52.037 0.136 0.000 0.656 701 A CB -0.363 18.759 19.000 0.202 0.000 0.800 701 A HN 0.155 nan 8.150 nan 0.000 0.453 702 R N -0.743 119.792 120.500 0.058 0.000 2.293 702 R HA -0.089 4.281 4.340 0.050 0.000 0.219 702 R C 1.524 177.813 176.300 -0.018 0.000 1.091 702 R CA 1.001 57.126 56.100 0.042 0.000 1.004 702 R CB -0.115 30.204 30.300 0.030 0.000 0.865 702 R HN 0.206 nan 8.270 nan 0.000 0.469 703 K N 0.134 120.466 120.400 -0.114 0.000 2.211 703 K HA -0.103 4.247 4.320 0.050 0.000 0.204 703 K C 1.226 177.693 176.600 -0.223 0.000 1.047 703 K CA 1.338 57.494 56.287 -0.218 0.000 0.935 703 K CB -0.259 32.027 32.500 -0.356 0.000 0.728 703 K HN 0.199 nan 8.250 nan 0.000 0.452 704 F N 0.820 120.744 119.950 -0.043 0.000 2.604 704 F HA -0.071 4.487 4.527 0.051 0.000 0.298 704 F C 1.672 177.420 175.800 -0.086 0.000 1.131 704 F CA 0.508 58.471 58.000 -0.063 0.000 1.457 704 F CB -0.021 38.941 39.000 -0.064 0.000 1.095 704 F HN -0.028 nan 8.300 nan 0.000 0.574 705 K N 0.420 120.863 120.400 0.072 0.000 2.160 705 K HA -0.212 4.139 4.320 0.050 0.000 0.206 705 K C 2.265 178.838 176.600 -0.045 0.000 1.047 705 K CA 1.159 57.440 56.287 -0.011 0.000 0.930 705 K CB -0.354 32.137 32.500 -0.016 0.000 0.720 705 K HN 0.274 nan 8.250 nan 0.000 0.450 706 A N 0.668 123.472 122.820 -0.027 0.000 2.015 706 A HA -0.114 4.236 4.320 0.050 0.000 0.219 706 A C 2.068 179.630 177.584 -0.036 0.000 1.163 706 A CA 1.705 53.720 52.037 -0.037 0.000 0.646 706 A CB -0.575 18.402 19.000 -0.039 0.000 0.806 706 A HN 0.235 nan 8.150 nan 0.000 0.448 707 T N 0.537 115.087 114.554 -0.007 0.000 2.942 707 T HA 0.008 4.388 4.350 0.050 0.000 0.265 707 T C 1.477 176.111 174.700 -0.109 0.000 1.062 707 T CA 1.348 63.438 62.100 -0.016 0.000 1.139 707 T CB -0.375 68.527 68.868 0.056 0.000 0.883 707 T HN 0.714 nan 8.240 nan 0.000 0.468 708 I N -2.161 118.286 120.570 -0.205 0.000 3.904 708 I HA 0.365 4.566 4.170 0.050 0.000 0.333 708 I C -0.431 175.440 176.117 -0.410 0.000 1.361 708 I CA -0.463 60.571 61.300 -0.443 0.000 1.116 708 I CB -0.011 37.508 38.000 -0.802 0.000 1.028 708 I HN -0.159 nan 8.210 nan 0.000 0.398 709 K N 1.733 122.010 120.400 -0.205 0.000 3.150 709 K HA -0.119 4.231 4.320 0.050 0.000 0.267 709 K C -0.313 176.220 176.600 -0.112 0.000 1.028 709 K CA 0.534 56.746 56.287 -0.124 0.000 0.753 709 K CB -2.031 30.422 32.500 -0.079 0.000 1.288 709 K HN 0.443 nan 8.250 nan 0.000 0.473 710 I N 0.581 121.078 120.570 -0.122 0.000 2.371 710 I HA 0.223 4.423 4.170 0.050 0.000 0.290 710 I C 1.426 177.522 176.117 -0.034 0.000 1.028 710 I CA -0.958 60.299 61.300 -0.072 0.000 1.345 710 I CB 0.692 38.646 38.000 -0.077 0.000 1.407 710 I HN 0.269 nan 8.210 nan 0.000 0.501 711 A N 5.368 128.179 122.820 -0.014 0.000 2.507 711 A HA 0.029 4.379 4.320 0.050 0.000 0.235 711 A C 1.174 178.754 177.584 -0.007 0.000 1.070 711 A CA -0.145 51.888 52.037 -0.008 0.000 0.768 711 A CB 0.082 19.083 19.000 0.001 0.000 1.011 711 A HN 0.761 nan 8.150 nan 0.000 0.502 712 D N 0.734 121.131 120.400 -0.007 0.000 2.133 712 D HA -0.209 4.461 4.640 0.050 0.000 0.195 712 D C 1.924 178.224 176.300 0.001 0.000 0.997 712 D CA 2.233 56.230 54.000 -0.005 0.000 0.840 712 D CB -0.212 40.585 40.800 -0.005 0.000 0.947 712 D HN 0.837 nan 8.370 nan 0.000 0.452 713 Q N 0.227 120.028 119.800 0.002 0.000 2.515 713 Q HA 0.255 4.625 4.340 0.050 0.000 0.212 713 Q C 1.087 177.091 176.000 0.007 0.000 0.970 713 Q CA 0.680 56.486 55.803 0.005 0.000 0.941 713 Q CB -0.015 28.726 28.738 0.005 0.000 0.998 713 Q HN 0.152 nan 8.270 nan 0.000 0.518 714 G N 0.446 109.251 108.800 0.007 0.000 2.757 714 G HA2 -0.223 3.767 3.960 0.050 0.000 0.638 714 G HA3 -0.223 3.767 3.960 0.050 0.000 0.638 714 G C -1.247 173.660 174.900 0.012 0.000 1.344 714 G CA -0.271 44.835 45.100 0.010 0.000 0.855 714 G HN 0.372 nan 8.290 nan 0.000 0.537 715 E N -0.594 119.614 120.200 0.014 0.000 2.354 715 E HA 0.378 4.758 4.350 0.050 0.000 0.283 715 E C -0.471 176.132 176.600 0.006 0.000 0.938 715 E CA -0.773 55.640 56.400 0.020 0.000 0.777 715 E CB 1.047 30.777 29.700 0.050 0.000 1.222 715 E HN 0.487 nan 8.360 nan 0.000 0.423 716 E N 1.530 121.725 120.200 -0.007 0.000 2.465 716 E HA 0.135 4.515 4.350 0.050 0.000 0.260 716 E C 0.765 177.332 176.600 -0.055 0.000 0.980 716 E CA 1.533 57.913 56.400 -0.032 0.000 0.927 716 E CB 1.022 30.702 29.700 -0.033 0.000 0.934 716 E HN 0.893 nan 8.360 nan 0.000 0.459 717 G N 3.197 111.950 108.800 -0.079 0.000 2.199 717 G HA2 -0.233 3.757 3.960 0.050 0.000 0.254 717 G HA3 -0.233 3.757 3.960 0.050 0.000 0.254 717 G C 0.283 175.139 174.900 -0.073 0.000 0.982 717 G CA -0.139 44.896 45.100 -0.108 0.000 0.632 717 G HN 0.447 nan 8.290 nan 0.000 0.529 718 I N 1.808 122.359 120.570 -0.031 0.000 2.330 718 I HA 0.453 4.653 4.170 0.050 0.000 0.289 718 I C 0.515 176.598 176.117 -0.056 0.000 1.001 718 I CA -0.939 60.349 61.300 -0.020 0.000 1.193 718 I CB 1.331 39.347 38.000 0.026 0.000 1.345 718 I HN -0.112 nan 8.210 nan 0.000 0.461 719 V N 7.289 127.135 119.914 -0.114 0.000 2.439 719 V HA 0.412 4.563 4.120 0.050 0.000 0.282 719 V C 0.209 176.260 176.094 -0.071 0.000 1.039 719 V CA -0.497 61.691 62.300 -0.188 0.000 0.913 719 V CB 1.367 32.919 31.823 -0.451 0.000 0.983 719 V HN 0.871 nan 8.190 nan 0.000 0.460 720 E N 4.101 124.330 120.200 0.048 0.000 2.366 720 E HA 0.890 5.270 4.350 0.050 0.000 0.278 720 E C -1.070 175.680 176.600 0.250 0.000 0.923 720 E CA -1.045 55.475 56.400 0.199 0.000 0.761 720 E CB 2.704 32.471 29.700 0.111 0.000 1.231 720 E HN 0.834 nan 8.360 nan 0.000 0.443 721 A N 1.747 124.729 122.820 0.270 0.000 2.567 721 A HA 0.312 4.662 4.320 0.050 0.000 0.291 721 A C -0.465 177.141 177.584 0.037 0.000 1.048 721 A CA -0.544 51.589 52.037 0.161 0.000 0.661 721 A CB 1.291 20.436 19.000 0.242 0.000 1.288 721 A HN 0.607 nan 8.150 nan 0.000 0.424 722 D N 0.494 120.894 120.400 0.001 0.000 2.158 722 D HA -0.018 4.652 4.640 0.050 0.000 0.197 722 D C 1.153 177.397 176.300 -0.092 0.000 0.995 722 D CA 2.602 56.581 54.000 -0.035 0.000 0.846 722 D CB 0.083 40.868 40.800 -0.026 0.000 0.941 722 D HN 0.897 nan 8.370 nan 0.000 0.456 723 S N -2.469 113.138 115.700 -0.155 0.000 2.688 723 S HA 0.660 5.160 4.470 0.050 0.000 0.275 723 S C 0.017 174.320 174.600 -0.496 0.000 1.175 723 S CA -0.349 57.696 58.200 -0.259 0.000 0.818 723 S CB 1.646 64.750 63.200 -0.160 0.000 1.157 723 S HN -0.049 nan 8.310 nan 0.000 0.482 724 A N 0.767 123.247 122.820 -0.568 0.000 2.359 724 A HA 0.337 4.687 4.320 0.050 0.000 0.240 724 A C 0.618 178.059 177.584 -0.239 0.000 1.306 724 A CA 0.391 51.971 52.037 -0.761 0.000 0.898 724 A CB -1.966 16.691 19.000 -0.571 0.000 0.956 724 A HN 1.005 nan 8.150 nan 0.000 0.497 725 D N -0.870 119.447 120.400 -0.138 0.000 2.023 725 D HA -0.007 4.663 4.640 0.050 0.000 0.225 725 D C 1.321 177.660 176.300 0.064 0.000 1.427 725 D CA 0.992 54.981 54.000 -0.018 0.000 0.907 725 D CB -0.182 40.617 40.800 -0.000 0.000 1.503 725 D HN 0.026 nan 8.370 nan 0.000 0.585 726 G N -1.672 107.163 108.800 0.059 0.000 2.396 726 G HA2 -0.198 3.792 3.960 0.050 0.000 0.214 726 G HA3 -0.198 3.792 3.960 0.050 0.000 0.214 726 G C 1.613 176.564 174.900 0.086 0.000 1.166 726 G CA 0.874 46.014 45.100 0.067 0.000 0.793 726 G HN 0.564 nan 8.290 nan 0.000 0.533 727 S N 0.065 115.816 115.700 0.087 0.000 2.359 727 S HA -0.172 4.328 4.470 0.050 0.000 0.224 727 S C 2.108 176.777 174.600 0.115 0.000 1.035 727 S CA 1.592 59.841 58.200 0.082 0.000 1.018 727 S CB -0.489 62.752 63.200 0.070 0.000 0.876 727 S HN 0.357 nan 8.310 nan 0.000 0.448 728 F N 1.801 121.749 119.950 -0.003 0.000 2.091 728 F HA -0.147 4.410 4.527 0.050 0.000 0.299 728 F C 2.168 177.965 175.800 -0.004 0.000 1.103 728 F CA 2.043 60.041 58.000 -0.003 0.000 1.228 728 F CB -0.292 38.707 39.000 -0.001 0.000 0.984 728 F HN 0.231 nan 8.300 nan 0.000 0.477 729 M N 0.003 119.741 119.600 0.229 0.000 2.200 729 M HA -0.139 4.371 4.480 0.050 0.000 0.265 729 M C 1.798 178.096 176.300 -0.003 0.000 1.066 729 M CA 1.234 56.593 55.300 0.098 0.000 1.127 729 M CB -1.332 31.357 32.600 0.148 0.000 1.379 729 M HN 0.117 nan 8.290 nan 0.000 0.420 730 D N 0.520 120.927 120.400 0.013 0.000 2.144 730 D HA -0.147 4.523 4.640 0.050 0.000 0.199 730 D C 1.972 178.246 176.300 -0.044 0.000 0.984 730 D CA 1.149 55.143 54.000 -0.009 0.000 0.834 730 D CB -0.047 40.756 40.800 0.005 0.000 0.955 730 D HN 0.476 nan 8.370 nan 0.000 0.465 731 E N 0.255 120.413 120.200 -0.070 0.000 2.047 731 E HA -0.106 4.274 4.350 0.050 0.000 0.191 731 E C 2.134 178.648 176.600 -0.143 0.000 0.987 731 E CA 0.080 56.419 56.400 -0.102 0.000 0.799 731 E CB -0.038 29.589 29.700 -0.122 0.000 0.752 731 E HN 0.124 nan 8.360 nan 0.000 0.449 732 L N 1.237 122.333 121.223 -0.212 0.000 1.990 732 L HA -0.220 4.150 4.340 0.050 0.000 0.213 732 L C 2.238 179.035 176.870 -0.121 0.000 1.072 732 L CA 1.745 56.461 54.840 -0.208 0.000 0.755 732 L CB -0.694 41.203 42.059 -0.271 0.000 0.889 732 L HN 0.246 nan 8.230 nan 0.000 0.432 733 L N -0.599 120.574 121.223 -0.083 0.000 2.127 733 L HA -0.228 4.142 4.340 0.050 0.000 0.211 733 L C 2.452 179.295 176.870 -0.045 0.000 1.089 733 L CA 1.573 56.382 54.840 -0.051 0.000 0.757 733 L CB -0.784 41.257 42.059 -0.031 0.000 0.899 733 L HN 0.297 nan 8.230 nan 0.000 0.434 734 T N 0.156 114.680 114.554 -0.050 0.000 2.746 734 T HA -0.165 4.215 4.350 0.050 0.000 0.267 734 T C 1.951 176.618 174.700 -0.055 0.000 1.039 734 T CA 1.256 63.331 62.100 -0.041 0.000 1.142 734 T CB -0.232 68.614 68.868 -0.037 0.000 0.866 734 T HN 0.199 nan 8.240 nan 0.000 0.444 735 L N 0.333 121.504 121.223 -0.087 0.000 2.017 735 L HA -0.089 4.281 4.340 0.050 0.000 0.208 735 L C 2.727 179.529 176.870 -0.114 0.000 1.073 735 L CA 1.337 56.105 54.840 -0.119 0.000 0.745 735 L CB -0.577 41.391 42.059 -0.151 0.000 0.894 735 L HN 0.299 nan 8.230 nan 0.000 0.432 736 M N -0.639 118.909 119.600 -0.088 0.000 2.202 736 M HA -0.217 4.293 4.480 0.050 0.000 0.262 736 M C 2.418 178.714 176.300 -0.007 0.000 1.063 736 M CA 1.812 57.079 55.300 -0.055 0.000 1.097 736 M CB -0.566 32.011 32.600 -0.038 0.000 1.382 736 M HN 0.340 nan 8.290 nan 0.000 0.413 737 A N 0.103 122.921 122.820 -0.003 0.000 2.015 737 A HA 0.087 4.437 4.320 0.050 0.000 0.219 737 A C 2.157 179.779 177.584 0.063 0.000 1.163 737 A CA 1.629 53.685 52.037 0.032 0.000 0.646 737 A CB -0.572 18.442 19.000 0.024 0.000 0.806 737 A HN 0.505 nan 8.150 nan 0.000 0.448 738 A N -2.772 120.062 122.820 0.024 0.000 2.275 738 A HA 0.372 4.722 4.320 0.050 0.000 0.212 738 A C 0.907 178.501 177.584 0.016 0.000 1.201 738 A CA 1.224 53.285 52.037 0.040 0.000 0.843 738 A CB -0.401 18.580 19.000 -0.032 0.000 0.873 738 A HN 0.954 nan 8.150 nan 0.000 0.492 739 H N -1.377 117.619 119.070 -0.124 0.000 4.823 739 H HA -0.173 4.413 4.556 0.050 0.000 0.064 739 H C -0.014 175.080 175.328 -0.390 0.000 0.599 739 H CA 2.305 58.261 56.048 -0.153 0.000 0.956 739 H CB -0.605 29.165 29.762 0.014 0.000 0.432 739 H HN 0.449 nan 8.280 nan 0.000 0.798 740 R N -0.311 119.606 120.500 -0.971 0.000 2.774 740 R HA 0.617 4.987 4.340 0.050 0.000 0.272 740 R C -0.815 174.635 176.300 -1.415 0.000 1.000 740 R CA -0.274 55.032 56.100 -1.323 0.000 0.906 740 R CB 1.857 31.056 30.300 -1.835 0.000 1.227 740 R HN 0.068 nan 8.270 nan 0.000 0.468 741 V N 2.421 121.746 119.914 -0.982 0.000 2.218 741 V HA 0.128 4.278 4.120 0.050 0.000 0.261 741 V C 0.618 176.359 176.094 -0.588 0.000 1.142 741 V CA -0.470 61.429 62.300 -0.668 0.000 0.965 741 V CB -0.135 31.435 31.823 -0.422 0.000 1.190 741 V HN 0.725 nan 8.190 nan 0.000 0.478 742 W N 1.555 122.576 121.300 -0.465 0.000 2.392 742 W HA -0.160 4.530 4.660 0.050 0.000 0.279 742 W C 2.492 178.799 176.519 -0.353 0.000 1.225 742 W CA 0.816 57.797 57.345 -0.607 0.000 1.233 742 W CB -0.446 28.229 29.460 -1.308 0.000 1.122 742 W HN 0.645 nan 8.180 nan 0.000 0.561 743 S N 0.772 116.432 115.700 -0.067 0.000 2.500 743 S HA -0.172 4.328 4.470 0.050 0.000 0.239 743 S C 1.676 176.241 174.600 -0.058 0.000 0.989 743 S CA 0.948 59.127 58.200 -0.035 0.000 0.951 743 S CB -0.454 62.727 63.200 -0.032 0.000 0.759 743 S HN 0.417 nan 8.310 nan 0.000 0.523 744 R N 0.592 121.016 120.500 -0.126 0.000 2.276 744 R HA 0.251 4.621 4.340 0.050 0.000 0.203 744 R C 1.741 177.973 176.300 -0.113 0.000 1.017 744 R CA 0.379 56.379 56.100 -0.167 0.000 1.010 744 R CB -0.337 29.753 30.300 -0.350 0.000 0.900 744 R HN 0.486 nan 8.270 nan 0.000 0.469 745 I N 1.487 122.034 120.570 -0.039 0.000 2.163 745 I HA -0.203 3.997 4.170 0.050 0.000 0.243 745 I C -0.830 175.309 176.117 0.038 0.000 1.085 745 I CA 1.196 62.512 61.300 0.027 0.000 1.347 745 I CB -0.793 37.270 38.000 0.105 0.000 1.044 745 I HN 0.133 nan 8.210 nan 0.000 0.408 746 P HA -0.139 nan 4.420 nan 0.000 0.222 746 P C 1.121 178.449 177.300 0.047 0.000 1.147 746 P CA 1.326 64.455 63.100 0.047 0.000 0.790 746 P CB -0.033 31.693 31.700 0.043 0.000 0.780 747 K N -0.334 120.088 120.400 0.037 0.000 2.243 747 K HA 0.063 4.413 4.320 0.050 0.000 0.201 747 K C 2.012 178.673 176.600 0.101 0.000 1.051 747 K CA 0.756 57.090 56.287 0.079 0.000 0.970 747 K CB -0.415 32.161 32.500 0.128 0.000 0.755 747 K HN 0.270 nan 8.250 nan 0.000 0.465 748 I N -0.905 119.692 120.570 0.044 0.000 2.614 748 I HA -0.149 4.051 4.170 0.050 0.000 0.258 748 I C 1.026 177.185 176.117 0.071 0.000 1.189 748 I CA 1.286 62.618 61.300 0.053 0.000 1.462 748 I CB -0.195 37.788 38.000 -0.029 0.000 1.092 748 I HN -0.117 nan 8.210 nan 0.000 0.442 749 D N 2.238 122.680 120.400 0.070 0.000 2.203 749 D HA -0.185 4.485 4.640 0.050 0.000 0.199 749 D C 1.939 178.279 176.300 0.067 0.000 0.997 749 D CA 1.484 55.527 54.000 0.072 0.000 0.863 749 D CB -0.029 40.812 40.800 0.069 0.000 0.928 749 D HN 0.466 nan 8.370 nan 0.000 0.458 750 K N -0.367 120.074 120.400 0.068 0.000 2.352 750 K HA 0.233 4.583 4.320 0.050 0.000 0.194 750 K C 0.819 177.452 176.600 0.055 0.000 1.038 750 K CA -0.186 56.135 56.287 0.057 0.000 1.023 750 K CB 0.801 33.333 32.500 0.053 0.000 0.840 750 K HN 0.139 nan 8.250 nan 0.000 0.519 751 I N 3.847 124.458 120.570 0.068 0.000 2.533 751 I HA 0.080 4.280 4.170 0.050 0.000 0.284 751 I C -2.199 173.948 176.117 0.051 0.000 1.109 751 I CA -2.203 59.131 61.300 0.057 0.000 1.412 751 I CB 0.806 38.858 38.000 0.087 0.000 1.396 751 I HN 0.000 nan 8.210 nan 0.000 0.543 752 P HA 0.357 nan 4.420 nan 0.000 0.266 752 P C -1.033 176.324 177.300 0.094 0.000 1.586 752 P CA -0.101 63.035 63.100 0.061 0.000 1.088 752 P CB 0.621 32.352 31.700 0.051 0.000 1.584 753 A N 0.000 122.877 122.820 0.095 0.000 2.254 753 A HA 0.000 4.350 4.320 0.050 0.000 0.244 753 A CA 0.000 52.139 52.037 0.169 0.000 0.836 753 A CB 0.000 18.966 19.000 -0.057 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486