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_D DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGCHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT APYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PAGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.564 174.600 -0.060 0.000 1.055 28 S CA 0.000 58.172 58.200 -0.047 0.000 1.107 28 S CB 0.000 63.175 63.200 -0.042 0.000 0.593 29 L N 0.796 121.974 121.223 -0.075 0.000 2.513 29 L HA 0.402 4.757 4.340 0.025 0.000 0.222 29 L C 1.350 178.141 176.870 -0.132 0.000 1.096 29 L CA 0.145 54.937 54.840 -0.081 0.000 0.857 29 L CB -0.205 41.818 42.059 -0.061 0.000 1.026 29 L HN 0.675 nan 8.230 nan 0.000 0.469 30 A N 1.738 124.427 122.820 -0.219 0.000 2.386 30 A HA 0.394 4.729 4.320 0.025 0.000 0.248 30 A C -2.028 175.400 177.584 -0.259 0.000 1.082 30 A CA -0.871 50.908 52.037 -0.431 0.000 0.789 30 A CB -0.518 17.974 19.000 -0.846 0.000 1.025 30 A HN -0.019 nan 8.150 nan 0.000 0.490 31 P HA 0.145 nan 4.420 nan 0.000 0.271 31 P C 0.098 177.380 177.300 -0.029 0.000 1.218 31 P CA -0.040 63.025 63.100 -0.059 0.000 0.780 31 P CB 0.951 32.655 31.700 0.006 0.000 0.901 32 E N 1.196 121.388 120.200 -0.013 0.000 2.130 32 E HA -0.240 4.125 4.350 0.025 0.000 0.196 32 E C 1.225 177.846 176.600 0.034 0.000 0.998 32 E CA 1.912 58.316 56.400 0.005 0.000 0.806 32 E CB -0.198 29.503 29.700 0.001 0.000 0.738 32 E HN 0.591 nan 8.360 nan 0.000 0.459 33 D N -1.173 119.252 120.400 0.041 0.000 2.378 33 D HA -0.035 4.620 4.640 0.025 0.000 0.227 33 D C 1.247 177.596 176.300 0.081 0.000 1.012 33 D CA 0.879 54.909 54.000 0.050 0.000 0.905 33 D CB -0.351 40.471 40.800 0.037 0.000 0.895 33 D HN 0.227 nan 8.370 nan 0.000 0.532 34 G N 0.241 109.132 108.800 0.152 0.000 2.168 34 G HA2 -0.363 3.612 3.960 0.025 0.000 0.257 34 G HA3 -0.363 3.612 3.960 0.025 0.000 0.257 34 G C 1.007 175.989 174.900 0.137 0.000 0.997 34 G CA 0.941 46.174 45.100 0.221 0.000 0.708 34 G HN 0.738 nan 8.290 nan 0.000 0.520 35 S N 0.423 116.214 115.700 0.151 0.000 2.603 35 S HA -0.016 4.469 4.470 0.025 0.000 0.229 35 S C 1.845 176.499 174.600 0.091 0.000 0.972 35 S CA 1.080 59.327 58.200 0.078 0.000 0.935 35 S CB -0.506 62.731 63.200 0.062 0.000 0.769 35 S HN 0.937 nan 8.310 nan 0.000 0.536 36 H N 0.734 119.810 119.070 0.011 0.000 2.535 36 H HA 0.294 4.865 4.556 0.024 0.000 0.273 36 H C 0.736 176.075 175.328 0.019 0.000 0.983 36 H CA 0.178 56.233 56.048 0.012 0.000 1.238 36 H CB -0.219 29.549 29.762 0.010 0.000 1.412 36 H HN 0.346 nan 8.280 nan 0.000 0.562 37 R N 2.495 122.726 120.500 -0.448 0.000 2.343 37 R HA 0.369 4.724 4.340 0.025 0.000 0.320 37 R C -2.763 173.448 176.300 -0.148 0.000 0.956 37 R CA -2.370 53.507 56.100 -0.373 0.000 0.836 37 R CB 0.908 30.851 30.300 -0.595 0.000 1.151 37 R HN 0.042 nan 8.270 nan 0.000 0.450 38 P HA 0.140 nan 4.420 nan 0.000 0.271 38 P C -0.847 176.445 177.300 -0.015 0.000 1.216 38 P CA -0.306 62.785 63.100 -0.016 0.000 0.771 38 P CB 0.929 32.644 31.700 0.025 0.000 0.864 39 A N 3.064 125.881 122.820 -0.005 0.000 2.540 39 A HA 0.340 4.674 4.320 0.025 0.000 0.239 39 A C 1.008 178.602 177.584 0.016 0.000 1.061 39 A CA 0.168 52.206 52.037 0.001 0.000 0.758 39 A CB -0.390 18.614 19.000 0.006 0.000 0.991 39 A HN 0.584 nan 8.150 nan 0.000 0.502 40 A N 3.158 125.987 122.820 0.015 0.000 3.077 40 A HA 0.485 4.820 4.320 0.025 0.000 0.255 40 A C 0.409 178.011 177.584 0.030 0.000 1.728 40 A CA 0.261 52.314 52.037 0.026 0.000 1.383 40 A CB -0.905 18.108 19.000 0.021 0.000 1.097 40 A HN 0.910 nan 8.150 nan 0.000 0.634 41 E N -0.612 119.608 120.200 0.034 0.000 2.407 41 E HA 0.520 4.885 4.350 0.025 0.000 0.279 41 E C -3.309 173.313 176.600 0.037 0.000 1.012 41 E CA -2.444 53.977 56.400 0.035 0.000 0.800 41 E CB 0.828 30.543 29.700 0.025 0.000 1.276 41 E HN 0.052 nan 8.360 nan 0.000 0.452 42 P HA 0.118 nan 4.420 nan 0.000 0.268 42 P C -0.840 176.469 177.300 0.015 0.000 1.204 42 P CA 0.221 63.335 63.100 0.024 0.000 0.768 42 P CB 0.646 32.347 31.700 0.002 0.000 0.842 43 T N 0.501 115.060 114.554 0.009 0.000 2.916 43 T HA 0.597 4.962 4.350 0.025 0.000 0.305 43 T C -3.035 171.648 174.700 -0.029 0.000 1.119 43 T CA -2.514 59.589 62.100 0.004 0.000 1.008 43 T CB 1.607 70.482 68.868 0.012 0.000 1.129 43 T HN 0.039 nan 8.240 nan 0.000 0.480 44 P HA 0.377 nan 4.420 nan 0.000 0.274 44 P C -2.708 174.470 177.300 -0.204 0.000 1.246 44 P CA -1.566 61.425 63.100 -0.180 0.000 0.795 44 P CB -0.951 30.721 31.700 -0.047 0.000 1.006 45 P HA -0.010 nan 4.420 nan 0.000 0.264 45 P C 1.151 178.402 177.300 -0.082 0.000 1.179 45 P CA 1.582 64.577 63.100 -0.175 0.000 0.763 45 P CB -0.217 31.358 31.700 -0.208 0.000 0.806 46 G N 2.485 111.267 108.800 -0.031 0.000 2.284 46 G HA2 -0.395 3.580 3.960 0.025 0.000 0.261 46 G HA3 -0.395 3.580 3.960 0.025 0.000 0.261 46 G C 1.247 176.145 174.900 -0.004 0.000 0.997 46 G CA 0.601 45.696 45.100 -0.008 0.000 0.621 46 G HN 0.697 nan 8.290 nan 0.000 0.534 47 A N -0.916 121.898 122.820 -0.010 0.000 1.969 47 A HA 0.349 4.684 4.320 0.025 0.000 0.218 47 A C 1.364 178.952 177.584 0.007 0.000 1.169 47 A CA 2.139 54.175 52.037 -0.000 0.000 0.635 47 A CB -0.028 18.972 19.000 -0.001 0.000 0.810 47 A HN 0.588 nan 8.150 nan 0.000 0.445 48 Q N -1.160 118.648 119.800 0.012 0.000 2.456 48 Q HA 0.431 4.786 4.340 0.025 0.000 0.284 48 Q C -2.978 173.038 176.000 0.026 0.000 1.061 48 Q CA -2.049 53.765 55.803 0.018 0.000 0.799 48 Q CB 1.064 29.815 28.738 0.023 0.000 1.445 48 Q HN 0.069 nan 8.270 nan 0.000 0.411 49 P HA 0.050 nan 4.420 nan 0.000 0.272 49 P C -0.304 177.027 177.300 0.053 0.000 1.223 49 P CA -0.019 63.095 63.100 0.025 0.000 0.784 49 P CB 0.265 31.977 31.700 0.020 0.000 0.923 50 T N -1.003 113.582 114.554 0.051 0.000 2.868 50 T HA 0.630 4.995 4.350 0.025 0.000 0.292 50 T C -0.062 174.723 174.700 0.142 0.000 1.028 50 T CA -0.544 61.636 62.100 0.133 0.000 1.059 50 T CB 0.707 69.601 68.868 0.043 0.000 0.991 50 T HN 0.561 nan 8.240 nan 0.000 0.531 51 A N 2.085 125.091 122.820 0.311 0.000 2.566 51 A HA 0.804 5.139 4.320 0.025 0.000 0.292 51 A C -2.996 174.863 177.584 0.459 0.000 1.112 51 A CA -2.139 50.060 52.037 0.271 0.000 0.707 51 A CB 0.720 19.828 19.000 0.179 0.000 1.302 51 A HN 0.664 nan 8.150 nan 0.000 0.409 52 P HA 0.115 nan 4.420 nan 0.000 0.265 52 P C 1.176 178.636 177.300 0.268 0.000 1.187 52 P CA 0.860 64.187 63.100 0.379 0.000 0.766 52 P CB 0.549 32.387 31.700 0.229 0.000 0.820 53 G N 1.916 110.831 108.800 0.193 0.000 2.442 53 G HA2 -0.264 3.711 3.960 0.025 0.000 0.219 53 G HA3 -0.264 3.711 3.960 0.025 0.000 0.219 53 G C 1.511 176.432 174.900 0.035 0.000 1.141 53 G CA 1.018 46.144 45.100 0.042 0.000 0.763 53 G HN 0.591 nan 8.290 nan 0.000 0.554 54 S N -0.035 115.690 115.700 0.041 0.000 2.481 54 S HA 0.147 4.631 4.470 0.025 0.000 0.231 54 S C 2.184 176.805 174.600 0.035 0.000 0.996 54 S CA 0.620 58.829 58.200 0.015 0.000 0.942 54 S CB -0.155 63.049 63.200 0.006 0.000 0.768 54 S HN 0.307 nan 8.310 nan 0.000 0.520 55 L N -0.055 121.206 121.223 0.062 0.000 2.298 55 L HA 0.258 4.613 4.340 0.025 0.000 0.209 55 L C 2.651 179.555 176.870 0.058 0.000 1.084 55 L CA 0.877 55.753 54.840 0.061 0.000 0.816 55 L CB -0.283 41.821 42.059 0.075 0.000 0.967 55 L HN 0.263 nan 8.230 nan 0.000 0.460 56 K N 1.322 121.767 120.400 0.075 0.000 2.137 56 K HA 0.070 4.405 4.320 0.025 0.000 0.202 56 K C 0.685 177.317 176.600 0.054 0.000 1.052 56 K CA 1.226 57.558 56.287 0.076 0.000 0.961 56 K CB 0.208 32.772 32.500 0.107 0.000 0.741 56 K HN 0.114 nan 8.250 nan 0.000 0.452 57 A N 0.883 123.727 122.820 0.040 0.000 3.317 57 A HA 0.365 4.699 4.320 0.025 0.000 0.307 57 A C -2.256 175.336 177.584 0.012 0.000 1.003 57 A CA -1.019 51.038 52.037 0.034 0.000 0.882 57 A CB 0.649 19.676 19.000 0.045 0.000 1.136 57 A HN 0.141 nan 8.150 nan 0.000 0.488 58 P HA -0.103 nan 4.420 nan 0.000 0.220 58 P C 0.195 177.488 177.300 -0.011 0.000 1.148 58 P CA 1.192 64.292 63.100 -0.000 0.000 0.803 58 P CB 0.322 32.026 31.700 0.006 0.000 0.782 59 D N -1.064 119.334 120.400 -0.003 0.000 2.340 59 D HA 0.009 4.664 4.640 0.025 0.000 0.220 59 D C 0.271 176.558 176.300 -0.021 0.000 1.039 59 D CA 0.596 54.590 54.000 -0.010 0.000 0.866 59 D CB -0.465 40.336 40.800 0.002 0.000 0.913 59 D HN 0.110 nan 8.370 nan 0.000 0.523 60 T N 2.872 117.411 114.554 -0.024 0.000 2.737 60 T HA 0.288 4.653 4.350 0.025 0.000 0.296 60 T C 0.463 175.118 174.700 -0.075 0.000 0.922 60 T CA -0.379 61.691 62.100 -0.050 0.000 1.079 60 T CB 0.959 69.795 68.868 -0.052 0.000 0.892 60 T HN -0.132 nan 8.240 nan 0.000 0.514 61 R N 3.030 123.478 120.500 -0.087 0.000 2.837 61 R HA 0.663 5.017 4.340 0.025 0.000 0.271 61 R C -0.427 175.813 176.300 -0.101 0.000 0.993 61 R CA -1.056 54.987 56.100 -0.094 0.000 0.931 61 R CB 1.662 31.915 30.300 -0.079 0.000 1.206 61 R HN 0.822 nan 8.270 nan 0.000 0.474 62 N N -2.309 116.335 118.700 -0.093 0.000 3.039 62 N HA 0.064 4.819 4.740 0.025 0.000 0.257 62 N C 0.250 175.717 175.510 -0.072 0.000 1.497 62 N CA -0.808 52.201 53.050 -0.069 0.000 0.861 62 N CB 0.784 39.262 38.487 -0.016 0.000 1.479 62 N HN 0.560 nan 8.380 nan 0.000 0.547 63 E N -0.331 119.842 120.200 -0.046 0.000 2.085 63 E HA -0.265 4.099 4.350 0.025 0.000 0.194 63 E C 1.056 177.588 176.600 -0.113 0.000 0.994 63 E CA 1.441 57.808 56.400 -0.055 0.000 0.801 63 E CB 0.073 29.766 29.700 -0.011 0.000 0.743 63 E HN 0.485 nan 8.360 nan 0.000 0.453 64 K N 0.756 121.055 120.400 -0.168 0.000 2.025 64 K HA -0.079 4.256 4.320 0.025 0.000 0.207 64 K C 2.109 178.548 176.600 -0.268 0.000 1.049 64 K CA 1.105 57.193 56.287 -0.332 0.000 0.933 64 K CB -0.458 31.671 32.500 -0.619 0.000 0.714 64 K HN 0.175 nan 8.250 nan 0.000 0.438 65 L N 0.873 121.957 121.223 -0.233 0.000 2.042 65 L HA -0.217 4.138 4.340 0.025 0.000 0.210 65 L C 1.880 178.638 176.870 -0.187 0.000 1.076 65 L CA 1.334 56.011 54.840 -0.272 0.000 0.749 65 L CB -0.545 41.350 42.059 -0.274 0.000 0.893 65 L HN 0.266 nan 8.230 nan 0.000 0.432 66 N N -0.537 118.078 118.700 -0.141 0.000 2.188 66 N HA -0.145 4.609 4.740 0.025 0.000 0.184 66 N C 2.069 177.521 175.510 -0.097 0.000 1.018 66 N CA 1.585 54.574 53.050 -0.102 0.000 0.858 66 N CB -0.318 38.121 38.487 -0.079 0.000 0.989 66 N HN 0.357 nan 8.380 nan 0.000 0.426 67 S N 0.260 115.890 115.700 -0.116 0.000 2.453 67 S HA 0.038 4.523 4.470 0.025 0.000 0.231 67 S C 1.795 176.332 174.600 -0.105 0.000 1.005 67 S CA 0.366 58.504 58.200 -0.103 0.000 0.949 67 S CB -0.426 62.705 63.200 -0.115 0.000 0.774 67 S HN 0.239 nan 8.310 nan 0.000 0.510 68 L N 0.799 121.945 121.223 -0.128 0.000 2.552 68 L HA 0.160 4.515 4.340 0.025 0.000 0.227 68 L C 2.650 179.473 176.870 -0.079 0.000 1.146 68 L CA 0.631 55.404 54.840 -0.112 0.000 0.858 68 L CB -0.408 41.566 42.059 -0.142 0.000 0.969 68 L HN 0.288 nan 8.230 nan 0.000 0.451 69 E N 1.082 121.239 120.200 -0.071 0.000 2.160 69 E HA -0.256 4.109 4.350 0.025 0.000 0.195 69 E C 1.716 178.295 176.600 -0.034 0.000 0.991 69 E CA 1.497 57.868 56.400 -0.048 0.000 0.810 69 E CB -0.082 29.593 29.700 -0.043 0.000 0.742 69 E HN 0.569 nan 8.360 nan 0.000 0.466 70 D N -0.424 119.954 120.400 -0.037 0.000 2.265 70 D HA -0.149 4.506 4.640 0.025 0.000 0.208 70 D C 1.603 177.889 176.300 -0.023 0.000 0.977 70 D CA 1.650 55.633 54.000 -0.028 0.000 0.871 70 D CB -0.287 40.496 40.800 -0.028 0.000 0.925 70 D HN 0.308 nan 8.370 nan 0.000 0.485 71 V N -3.626 116.273 119.914 -0.027 0.000 3.605 71 V HA 0.333 4.468 4.120 0.025 0.000 0.284 71 V C 0.878 176.966 176.094 -0.010 0.000 1.386 71 V CA -0.686 61.604 62.300 -0.017 0.000 1.053 71 V CB -0.491 31.322 31.823 -0.016 0.000 0.857 71 V HN -0.166 nan 8.190 nan 0.000 0.436 72 R N 1.965 122.457 120.500 -0.013 0.000 2.489 72 R HA 0.407 4.761 4.340 0.025 0.000 0.287 72 R C -0.211 176.090 176.300 0.003 0.000 1.053 72 R CA 0.167 56.267 56.100 0.001 0.000 1.036 72 R CB 0.650 30.950 30.300 -0.001 0.000 0.966 72 R HN 0.358 nan 8.270 nan 0.000 0.432 73 K N 1.215 121.621 120.400 0.010 0.000 2.323 73 K HA 0.318 4.653 4.320 0.025 0.000 0.259 73 K C -0.007 176.609 176.600 0.027 0.000 0.947 73 K CA -0.409 55.873 56.287 -0.009 0.000 0.819 73 K CB 1.813 34.297 32.500 -0.026 0.000 1.109 73 K HN 0.728 nan 8.250 nan 0.000 0.429 74 G N 0.437 109.272 108.800 0.057 0.000 2.582 74 G HA2 0.237 4.212 3.960 0.025 0.000 0.232 74 G HA3 0.237 4.212 3.960 0.025 0.000 0.232 74 G C 0.333 175.343 174.900 0.182 0.000 1.458 74 G CA 0.320 45.504 45.100 0.140 0.000 1.062 74 G HN 0.709 nan 8.290 nan 0.000 0.566 75 S N -2.698 113.190 115.700 0.314 0.000 2.126 75 S HA 0.106 4.590 4.470 0.025 0.000 0.242 75 S C 0.174 174.929 174.600 0.259 0.000 0.898 75 S CA -0.138 58.245 58.200 0.304 0.000 1.395 75 S CB 0.031 63.319 63.200 0.148 0.000 0.966 75 S HN 0.484 nan 8.310 nan 0.000 0.435 76 E N 2.907 123.180 120.200 0.121 0.000 2.384 76 E HA 0.370 4.735 4.350 0.025 0.000 0.266 76 E C -0.175 176.323 176.600 -0.170 0.000 1.012 76 E CA 0.055 56.458 56.400 0.004 0.000 0.901 76 E CB 0.142 29.842 29.700 -0.001 0.000 0.967 76 E HN 0.376 nan 8.360 nan 0.000 0.435 77 N N 0.411 119.026 118.700 -0.141 0.000 2.900 77 N HA -0.218 4.536 4.740 0.025 0.000 0.240 77 N C -1.009 174.346 175.510 -0.258 0.000 0.953 77 N CA 1.180 54.102 53.050 -0.213 0.000 0.950 77 N CB -1.345 36.980 38.487 -0.269 0.000 1.102 77 N HN 0.382 nan 8.380 nan 0.000 0.593 78 Y N 0.819 121.126 120.300 0.011 0.000 2.352 78 Y HA 0.613 5.178 4.550 0.026 0.000 0.326 78 Y C 1.021 176.925 175.900 0.006 0.000 1.166 78 Y CA -0.576 57.529 58.100 0.009 0.000 1.182 78 Y CB 0.958 39.425 38.460 0.010 0.000 1.216 78 Y HN 0.132 nan 8.280 nan 0.000 0.474 79 A N 2.870 125.807 122.820 0.194 0.000 2.371 79 A HA 0.398 4.733 4.320 0.025 0.000 0.257 79 A C -0.662 176.971 177.584 0.082 0.000 1.089 79 A CA -0.556 51.542 52.037 0.101 0.000 0.794 79 A CB 0.085 19.131 19.000 0.078 0.000 1.029 79 A HN 0.730 nan 8.150 nan 0.000 0.488 80 L N 2.917 124.170 121.223 0.049 0.000 2.410 80 L HA 0.495 4.850 4.340 0.025 0.000 0.273 80 L C 0.638 177.517 176.870 0.016 0.000 1.144 80 L CA 1.185 56.041 54.840 0.026 0.000 0.863 80 L CB 0.325 42.391 42.059 0.011 0.000 1.140 80 L HN 0.899 nan 8.230 nan 0.000 0.463 81 T N 0.481 115.039 114.554 0.007 0.000 2.901 81 T HA 0.642 5.007 4.350 0.025 0.000 0.293 81 T C 0.203 174.906 174.700 0.004 0.000 1.084 81 T CA -0.184 61.923 62.100 0.010 0.000 1.008 81 T CB 1.044 69.920 68.868 0.014 0.000 1.170 81 T HN 0.827 nan 8.240 nan 0.000 0.509 82 T N 0.596 115.166 114.554 0.026 0.000 2.680 82 T HA 0.168 4.533 4.350 0.025 0.000 0.314 82 T C 1.127 175.845 174.700 0.029 0.000 1.045 82 T CA -0.366 61.758 62.100 0.040 0.000 1.025 82 T CB -0.086 68.848 68.868 0.111 0.000 1.000 82 T HN 0.584 nan 8.240 nan 0.000 0.535 83 N N 0.573 119.294 118.700 0.035 0.000 2.381 83 N HA -0.077 4.677 4.740 0.025 0.000 0.182 83 N C 1.611 177.142 175.510 0.035 0.000 1.025 83 N CA 0.663 53.727 53.050 0.024 0.000 0.888 83 N CB -0.208 38.303 38.487 0.040 0.000 0.965 83 N HN 0.573 nan 8.380 nan 0.000 0.438 84 Q N -0.266 119.568 119.800 0.056 0.000 2.415 84 Q HA 0.160 4.515 4.340 0.025 0.000 0.206 84 Q C 0.810 176.833 176.000 0.037 0.000 0.946 84 Q CA 0.207 56.038 55.803 0.046 0.000 0.951 84 Q CB 0.094 28.866 28.738 0.056 0.000 1.026 84 Q HN 0.409 nan 8.270 nan 0.000 0.510 85 G N 0.417 109.236 108.800 0.032 0.000 2.143 85 G HA2 -0.251 3.724 3.960 0.025 0.000 0.248 85 G HA3 -0.251 3.724 3.960 0.025 0.000 0.248 85 G C 0.110 175.034 174.900 0.041 0.000 0.991 85 G CA 0.211 45.325 45.100 0.023 0.000 0.689 85 G HN 0.250 nan 8.290 nan 0.000 0.522 86 V N 1.646 121.601 119.914 0.068 0.000 2.406 86 V HA 0.343 4.478 4.120 0.025 0.000 0.272 86 V C 1.323 177.457 176.094 0.067 0.000 1.043 86 V CA -0.623 61.730 62.300 0.088 0.000 0.915 86 V CB 1.046 32.968 31.823 0.166 0.000 0.988 86 V HN 0.416 nan 8.190 nan 0.000 0.466 87 R N 4.434 124.965 120.500 0.052 0.000 2.570 87 R HA 0.288 4.643 4.340 0.025 0.000 0.277 87 R C -0.483 175.832 176.300 0.024 0.000 1.039 87 R CA 0.064 56.186 56.100 0.036 0.000 1.065 87 R CB 0.433 30.754 30.300 0.034 0.000 0.964 87 R HN 0.580 nan 8.270 nan 0.000 0.428 88 I N 2.352 122.925 120.570 0.004 0.000 2.331 88 I HA 0.115 4.300 4.170 0.025 0.000 0.292 88 I C 0.978 177.084 176.117 -0.018 0.000 0.998 88 I CA -0.004 61.282 61.300 -0.024 0.000 1.267 88 I CB 1.831 39.806 38.000 -0.041 0.000 1.386 88 I HN 0.778 nan 8.210 nan 0.000 0.476 89 A N 4.320 127.126 122.820 -0.024 0.000 1.887 89 A HA -0.014 4.321 4.320 0.025 0.000 0.212 89 A C 0.765 178.333 177.584 -0.026 0.000 1.198 89 A CA 0.969 52.995 52.037 -0.018 0.000 0.628 89 A CB 0.037 19.028 19.000 -0.014 0.000 0.847 89 A HN 0.679 nan 8.150 nan 0.000 0.449 90 D N -0.438 119.938 120.400 -0.041 0.000 2.420 90 D HA 0.313 4.968 4.640 0.025 0.000 0.255 90 D C -1.244 175.024 176.300 -0.054 0.000 1.185 90 D CA -0.401 53.574 54.000 -0.042 0.000 0.904 90 D CB 1.023 41.799 40.800 -0.040 0.000 1.102 90 D HN 0.075 nan 8.370 nan 0.000 0.534 91 D N 2.045 122.416 120.400 -0.048 0.000 2.434 91 D HA 0.041 4.695 4.640 0.025 0.000 0.232 91 D C 0.583 176.851 176.300 -0.054 0.000 1.166 91 D CA 0.307 54.274 54.000 -0.055 0.000 0.830 91 D CB 0.464 41.237 40.800 -0.045 0.000 0.960 91 D HN 0.243 nan 8.370 nan 0.000 0.497 92 Q N -0.637 119.133 119.800 -0.050 0.000 2.246 92 Q HA 0.267 4.622 4.340 0.025 0.000 0.222 92 Q C -0.208 175.762 176.000 -0.050 0.000 0.851 92 Q CA 0.121 55.896 55.803 -0.048 0.000 0.945 92 Q CB 0.808 29.523 28.738 -0.039 0.000 1.122 92 Q HN 0.196 nan 8.270 nan 0.000 0.508 93 N N 0.023 118.691 118.700 -0.054 0.000 2.277 93 N HA 0.318 5.073 4.740 0.025 0.000 0.286 93 N C -1.011 174.463 175.510 -0.060 0.000 1.140 93 N CA -0.261 52.758 53.050 -0.051 0.000 0.799 93 N CB 2.105 40.566 38.487 -0.042 0.000 1.596 93 N HN -0.188 nan 8.380 nan 0.000 0.473 94 S N 0.714 116.382 115.700 -0.054 0.000 2.617 94 S HA 0.330 4.815 4.470 0.025 0.000 0.269 94 S C 0.114 174.686 174.600 -0.047 0.000 1.292 94 S CA -0.599 57.568 58.200 -0.055 0.000 1.010 94 S CB 0.869 64.043 63.200 -0.043 0.000 0.944 94 S HN 0.395 nan 8.310 nan 0.000 0.536 95 L N 3.377 124.571 121.223 -0.047 0.000 2.360 95 L HA 0.406 4.761 4.340 0.025 0.000 0.276 95 L C 0.113 176.973 176.870 -0.018 0.000 1.121 95 L CA 0.463 55.284 54.840 -0.032 0.000 0.845 95 L CB -0.098 41.943 42.059 -0.030 0.000 1.143 95 L HN 0.738 nan 8.230 nan 0.000 0.452 96 R N 4.127 124.620 120.500 -0.013 0.000 2.836 96 R HA 0.853 5.208 4.340 0.025 0.000 0.269 96 R C -1.178 175.120 176.300 -0.003 0.000 1.010 96 R CA -0.848 55.248 56.100 -0.007 0.000 0.930 96 R CB 1.133 31.427 30.300 -0.011 0.000 1.218 96 R HN 0.581 nan 8.270 nan 0.000 0.473 97 A N 1.287 124.107 122.820 -0.000 0.000 2.666 97 A HA 0.587 4.922 4.320 0.025 0.000 0.312 97 A C 0.585 178.169 177.584 -0.001 0.000 1.471 97 A CA 0.312 52.349 52.037 0.001 0.000 1.134 97 A CB -0.913 18.089 19.000 0.004 0.000 1.129 97 A HN 1.246 nan 8.150 nan 0.000 0.539 98 G N 1.112 109.911 108.800 -0.002 0.000 2.692 98 G HA2 0.052 4.027 3.960 0.025 0.000 0.686 98 G HA3 0.052 4.027 3.960 0.025 0.000 0.686 98 G C 0.660 175.556 174.900 -0.006 0.000 1.243 98 G CA 0.107 45.205 45.100 -0.003 0.000 0.782 98 G HN 1.793 nan 8.290 nan 0.000 0.625 99 S N -0.123 115.572 115.700 -0.007 0.000 2.474 99 S HA -0.017 4.468 4.470 0.025 0.000 0.235 99 S C 1.573 176.167 174.600 -0.010 0.000 0.997 99 S CA 1.399 59.593 58.200 -0.010 0.000 0.949 99 S CB 0.045 63.239 63.200 -0.010 0.000 0.766 99 S HN 0.756 nan 8.310 nan 0.000 0.517 100 R N 0.962 121.457 120.500 -0.008 0.000 2.552 100 R HA 0.354 4.709 4.340 0.025 0.000 0.314 100 R C 0.944 177.240 176.300 -0.007 0.000 1.041 100 R CA 0.078 56.173 56.100 -0.008 0.000 1.076 100 R CB 0.687 30.982 30.300 -0.007 0.000 1.290 100 R HN 0.452 nan 8.270 nan 0.000 0.563 101 G N 1.621 110.417 108.800 -0.006 0.000 2.671 101 G HA2 0.406 4.381 3.960 0.025 0.000 0.275 101 G HA3 0.406 4.381 3.960 0.025 0.000 0.275 101 G C -2.459 172.438 174.900 -0.005 0.000 1.368 101 G CA -1.090 44.007 45.100 -0.004 0.000 1.044 101 G HN -0.106 nan 8.290 nan 0.000 0.543 102 P HA 0.267 nan 4.420 nan 0.000 0.281 102 P C -0.341 176.958 177.300 -0.002 0.000 1.249 102 P CA -0.122 62.977 63.100 -0.002 0.000 0.810 102 P CB 1.010 32.711 31.700 0.002 0.000 1.008 103 T N 2.265 116.817 114.554 -0.003 0.000 2.884 103 T HA 0.267 4.632 4.350 0.025 0.000 0.298 103 T C 0.502 175.204 174.700 0.004 0.000 0.998 103 T CA -0.104 61.993 62.100 -0.004 0.000 1.124 103 T CB -0.027 68.836 68.868 -0.008 0.000 0.931 103 T HN 0.175 nan 8.240 nan 0.000 0.531 104 L N 3.375 124.602 121.223 0.007 0.000 2.357 104 L HA 0.333 4.688 4.340 0.025 0.000 0.273 104 L C 1.396 178.282 176.870 0.027 0.000 1.080 104 L CA -0.779 54.071 54.840 0.018 0.000 0.803 104 L CB 0.850 42.922 42.059 0.021 0.000 1.174 104 L HN 0.511 nan 8.230 nan 0.000 0.443 105 L N 1.939 123.183 121.223 0.034 0.000 2.201 105 L HA -0.164 4.191 4.340 0.025 0.000 0.212 105 L C 2.282 179.194 176.870 0.069 0.000 1.105 105 L CA 1.546 56.413 54.840 0.045 0.000 0.775 105 L CB -0.551 41.532 42.059 0.040 0.000 0.913 105 L HN 0.786 nan 8.230 nan 0.000 0.440 106 E N -1.501 118.744 120.200 0.075 0.000 2.516 106 E HA -0.179 4.186 4.350 0.025 0.000 0.199 106 E C 0.187 176.893 176.600 0.177 0.000 1.069 106 E CA 0.205 56.678 56.400 0.122 0.000 0.876 106 E CB -0.537 29.228 29.700 0.107 0.000 0.843 106 E HN 0.360 nan 8.360 nan 0.000 0.530 107 D N 1.242 121.697 120.400 0.092 0.000 2.441 107 D HA -0.057 4.597 4.640 0.025 0.000 0.243 107 D C 0.333 176.647 176.300 0.022 0.000 1.257 107 D CA -0.383 53.621 54.000 0.008 0.000 1.027 107 D CB -0.212 40.563 40.800 -0.041 0.000 1.084 107 D HN 0.324 nan 8.370 nan 0.000 0.514 108 F N 1.596 121.555 119.950 0.013 0.000 2.615 108 F HA 0.158 4.696 4.527 0.018 0.000 0.297 108 F C 1.610 177.422 175.800 0.020 0.000 1.124 108 F CA -0.091 57.921 58.000 0.019 0.000 1.451 108 F CB -0.558 38.453 39.000 0.018 0.000 1.103 108 F HN 0.158 nan 8.300 nan 0.000 0.569 109 I N 0.321 120.508 120.570 -0.637 0.000 2.233 109 I HA -0.176 4.009 4.170 0.025 0.000 0.243 109 I C 2.454 178.468 176.117 -0.171 0.000 1.093 109 I CA 0.835 61.874 61.300 -0.434 0.000 1.380 109 I CB -0.452 37.224 38.000 -0.540 0.000 1.067 109 I HN 0.255 nan 8.210 nan 0.000 0.413 110 L N 1.161 122.292 121.223 -0.154 0.000 1.989 110 L HA -0.227 4.128 4.340 0.025 0.000 0.211 110 L C 2.642 179.503 176.870 -0.016 0.000 1.071 110 L CA 1.950 56.746 54.840 -0.074 0.000 0.749 110 L CB -0.564 41.457 42.059 -0.063 0.000 0.890 110 L HN 0.059 nan 8.230 nan 0.000 0.431 111 R N -0.703 119.807 120.500 0.016 0.000 2.092 111 R HA -0.175 4.180 4.340 0.025 0.000 0.231 111 R C 2.315 178.671 176.300 0.094 0.000 1.119 111 R CA 1.486 57.624 56.100 0.064 0.000 0.970 111 R CB -0.369 29.985 30.300 0.090 0.000 0.864 111 R HN 0.606 nan 8.270 nan 0.000 0.440 112 E N 1.209 121.469 120.200 0.101 0.000 2.051 112 E HA -0.249 4.116 4.350 0.025 0.000 0.192 112 E C 1.934 178.610 176.600 0.126 0.000 0.991 112 E CA 1.321 57.797 56.400 0.128 0.000 0.799 112 E CB 0.090 29.871 29.700 0.134 0.000 0.748 112 E HN 0.151 nan 8.360 nan 0.000 0.449 113 K N 0.262 120.705 120.400 0.071 0.000 2.026 113 K HA -0.141 4.194 4.320 0.025 0.000 0.208 113 K C 2.153 178.823 176.600 0.118 0.000 1.048 113 K CA 1.451 57.777 56.287 0.065 0.000 0.929 113 K CB -0.055 32.442 32.500 -0.004 0.000 0.713 113 K HN 0.154 nan 8.250 nan 0.000 0.439 114 I N 1.336 121.956 120.570 0.083 0.000 2.315 114 I HA -0.179 4.006 4.170 0.025 0.000 0.248 114 I C 2.131 178.354 176.117 0.178 0.000 1.117 114 I CA 1.295 62.663 61.300 0.113 0.000 1.404 114 I CB -1.446 36.583 38.000 0.049 0.000 1.071 114 I HN 0.245 nan 8.210 nan 0.000 0.419 115 T N -0.267 114.384 114.554 0.160 0.000 2.720 115 T HA -0.228 4.136 4.350 0.025 0.000 0.268 115 T C 1.960 176.791 174.700 0.219 0.000 1.037 115 T CA 1.469 63.681 62.100 0.187 0.000 1.144 115 T CB -0.404 68.589 68.868 0.207 0.000 0.864 115 T HN 0.362 nan 8.240 nan 0.000 0.444 116 H N -0.255 118.906 119.070 0.151 0.000 2.395 116 H HA -0.016 4.555 4.556 0.024 0.000 0.299 116 H C 2.183 177.568 175.328 0.095 0.000 1.070 116 H CA 1.234 57.359 56.048 0.128 0.000 1.356 116 H CB -0.360 29.460 29.762 0.096 0.000 1.401 116 H HN 0.389 nan 8.280 nan 0.000 0.524 117 F N 2.150 122.168 119.950 0.113 0.000 2.095 117 F HA -0.224 4.315 4.527 0.020 0.000 0.298 117 F C 1.921 177.667 175.800 -0.090 0.000 1.104 117 F CA 1.890 59.898 58.000 0.015 0.000 1.232 117 F CB -0.323 38.677 39.000 -0.000 0.000 0.987 117 F HN 0.068 nan 8.300 nan 0.000 0.475 118 D N -1.302 119.026 120.400 -0.121 0.000 2.309 118 D HA -0.128 4.527 4.640 0.025 0.000 0.212 118 D C 1.116 177.018 176.300 -0.662 0.000 0.968 118 D CA 1.133 54.893 54.000 -0.401 0.000 0.882 118 D CB -0.343 40.197 40.800 -0.433 0.000 0.918 118 D HN 0.489 nan 8.370 nan 0.000 0.503 119 H N -0.509 118.453 119.070 -0.180 0.000 2.510 119 H HA 0.225 4.792 4.556 0.019 0.000 0.266 119 H C 1.011 176.184 175.328 -0.257 0.000 1.146 119 H CA -0.148 55.786 56.048 -0.190 0.000 0.993 119 H CB 0.500 30.167 29.762 -0.159 0.000 1.727 119 H HN 0.248 nan 8.280 nan 0.000 0.590 120 E N 0.687 120.730 120.200 -0.262 0.000 2.106 120 E HA -0.055 4.310 4.350 0.025 0.000 0.192 120 E C 0.501 176.955 176.600 -0.243 0.000 0.984 120 E CA 0.613 56.833 56.400 -0.300 0.000 0.806 120 E CB 0.436 29.929 29.700 -0.345 0.000 0.750 120 E HN 0.157 nan 8.360 nan 0.000 0.458 121 R N 1.217 121.630 120.500 -0.145 0.000 2.441 121 R HA 0.318 4.673 4.340 0.025 0.000 0.284 121 R C 0.459 176.798 176.300 0.065 0.000 1.070 121 R CA -0.176 55.911 56.100 -0.022 0.000 1.047 121 R CB 0.564 30.840 30.300 -0.040 0.000 1.016 121 R HN 0.186 nan 8.270 nan 0.000 0.477 122 I N -0.866 119.804 120.570 0.166 0.000 2.910 122 I HA 0.584 4.769 4.170 0.025 0.000 0.310 122 I C -2.192 173.984 176.117 0.098 0.000 1.043 122 I CA -2.972 58.412 61.300 0.140 0.000 1.053 122 I CB 1.766 39.881 38.000 0.191 0.000 1.242 122 I HN 0.254 nan 8.210 nan 0.000 0.452 123 P HA 0.072 nan 4.420 nan 0.000 0.265 123 P C -0.868 176.460 177.300 0.047 0.000 1.193 123 P CA -0.026 63.100 63.100 0.042 0.000 0.765 123 P CB 0.377 32.091 31.700 0.023 0.000 0.823 124 E N 2.838 123.069 120.200 0.052 0.000 2.392 124 E HA 0.157 4.522 4.350 0.025 0.000 0.256 124 E C -0.433 176.192 176.600 0.042 0.000 1.145 124 E CA -0.829 55.606 56.400 0.059 0.000 0.929 124 E CB 0.587 30.329 29.700 0.070 0.000 0.998 124 E HN 0.261 nan 8.360 nan 0.000 0.442 125 R N 0.882 121.412 120.500 0.050 0.000 2.638 125 R HA -0.042 4.313 4.340 0.025 0.000 0.268 125 R C 1.274 177.608 176.300 0.056 0.000 1.006 125 R CA -0.333 55.794 56.100 0.046 0.000 1.088 125 R CB 0.228 30.575 30.300 0.079 0.000 0.950 125 R HN 0.579 nan 8.270 nan 0.000 0.419 126 I N 2.003 122.599 120.570 0.045 0.000 2.286 126 I HA -0.135 4.049 4.170 0.025 0.000 0.248 126 I C 1.208 177.378 176.117 0.088 0.000 1.115 126 I CA 1.504 62.840 61.300 0.060 0.000 1.392 126 I CB -1.017 37.023 38.000 0.066 0.000 1.065 126 I HN 0.397 nan 8.210 nan 0.000 0.418 127 V N -3.430 116.571 119.914 0.146 0.000 3.102 127 V HA 0.512 4.646 4.120 0.025 0.000 0.312 127 V C 0.366 176.629 176.094 0.281 0.000 1.135 127 V CA -0.871 61.538 62.300 0.183 0.000 1.022 127 V CB 1.800 33.808 31.823 0.309 0.000 1.056 127 V HN 0.421 nan 8.190 nan 0.000 0.436 128 H N 0.189 119.325 119.070 0.109 0.000 2.862 128 H HA -0.223 4.347 4.556 0.024 0.000 0.290 128 H C 1.553 176.929 175.328 0.081 0.000 1.211 128 H CA 0.749 56.854 56.048 0.095 0.000 1.140 128 H CB -1.251 28.555 29.762 0.073 0.000 1.341 128 H HN 1.175 nan 8.280 nan 0.000 0.392 129 A N 0.773 123.683 122.820 0.150 0.000 2.019 129 A HA -0.118 4.217 4.320 0.025 0.000 0.219 129 A C 1.683 179.359 177.584 0.153 0.000 1.164 129 A CA 1.408 53.523 52.037 0.129 0.000 0.644 129 A CB -0.098 18.957 19.000 0.091 0.000 0.805 129 A HN 0.293 nan 8.150 nan 0.000 0.449 130 R N 0.021 120.613 120.500 0.154 0.000 2.207 130 R HA 0.521 4.876 4.340 0.025 0.000 0.334 130 R C -0.217 176.214 176.300 0.218 0.000 1.013 130 R CA 0.695 56.905 56.100 0.184 0.000 0.858 130 R CB 0.468 30.861 30.300 0.155 0.000 1.094 130 R HN 0.309 nan 8.270 nan 0.000 0.457 131 G N 1.041 109.997 108.800 0.261 0.000 2.703 131 G HA2 0.484 4.459 3.960 0.025 0.000 0.294 131 G HA3 0.484 4.459 3.960 0.025 0.000 0.294 131 G C -1.611 173.451 174.900 0.270 0.000 1.451 131 G CA -0.585 44.633 45.100 0.197 0.000 0.869 131 G HN 0.508 nan 8.290 nan 0.000 0.516 132 S N -0.896 114.917 115.700 0.190 0.000 2.526 132 S HA 0.903 5.388 4.470 0.025 0.000 0.293 132 S C -0.124 174.507 174.600 0.052 0.000 1.092 132 S CA -0.210 58.166 58.200 0.294 0.000 0.980 132 S CB 1.808 65.289 63.200 0.468 0.000 1.048 132 S HN 1.563 nan 8.310 nan 0.000 0.483 133 A N 1.474 124.290 122.820 -0.007 0.000 2.498 133 A HA 1.015 5.349 4.320 0.025 0.000 0.298 133 A C -0.908 176.479 177.584 -0.328 0.000 1.075 133 A CA -0.728 51.072 52.037 -0.395 0.000 0.714 133 A CB 1.606 20.186 19.000 -0.700 0.000 1.299 133 A HN 1.290 nan 8.150 nan 0.000 0.407 134 A N 0.689 123.162 122.820 -0.578 0.000 2.606 134 A HA 0.729 5.064 4.320 0.025 0.000 0.293 134 A C -1.133 176.253 177.584 -0.329 0.000 1.082 134 A CA -0.649 51.205 52.037 -0.305 0.000 0.685 134 A CB 0.793 19.721 19.000 -0.121 0.000 1.284 134 A HN 0.878 nan 8.150 nan 0.000 0.408 135 H N -0.256 118.843 119.070 0.048 0.000 2.511 135 H HA 0.654 5.224 4.556 0.024 0.000 0.346 135 H C 0.623 175.956 175.328 0.009 0.000 1.128 135 H CA 1.011 57.144 56.048 0.141 0.000 1.342 135 H CB 1.801 31.639 29.762 0.125 0.000 1.470 135 H HN 1.121 nan 8.280 nan 0.000 0.546 136 G N 1.082 109.975 108.800 0.156 0.000 2.588 136 G HA2 0.363 4.337 3.960 0.025 0.000 0.281 136 G HA3 0.363 4.337 3.960 0.025 0.000 0.281 136 G C -1.994 173.036 174.900 0.216 0.000 1.223 136 G CA -0.631 44.526 45.100 0.095 0.000 0.871 136 G HN 0.619 nan 8.290 nan 0.000 0.492 137 Y N -1.736 118.599 120.300 0.058 0.000 2.581 137 Y HA 0.821 5.386 4.550 0.024 0.000 0.337 137 Y C -1.825 174.210 175.900 0.224 0.000 1.108 137 Y CA -1.932 56.248 58.100 0.132 0.000 1.033 137 Y CB 1.822 40.332 38.460 0.085 0.000 1.318 137 Y HN 0.767 nan 8.280 nan 0.000 0.459 138 F N 2.568 122.643 119.950 0.209 0.000 2.546 138 F HA 0.701 5.243 4.527 0.025 0.000 0.320 138 F C -1.130 174.857 175.800 0.312 0.000 1.076 138 F CA -0.567 57.569 58.000 0.228 0.000 0.928 138 F CB 2.269 41.526 39.000 0.428 0.000 1.189 138 F HN 0.801 nan 8.300 nan 0.000 0.465 139 Q N 7.087 126.327 119.800 -0.934 0.000 2.284 139 Q HA 0.469 4.824 4.340 0.025 0.000 0.269 139 Q C -2.972 172.399 176.000 -1.048 0.000 1.026 139 Q CA -2.363 53.072 55.803 -0.613 0.000 0.831 139 Q CB 3.135 31.783 28.738 -0.149 0.000 1.322 139 Q HN 0.361 nan 8.270 nan 0.000 0.419 140 P HA 0.057 nan 4.420 nan 0.000 0.281 140 P C -0.353 176.802 177.300 -0.240 0.000 1.249 140 P CA 0.011 62.854 63.100 -0.429 0.000 0.810 140 P CB 0.690 32.321 31.700 -0.114 0.000 1.008 141 Y N 1.193 121.428 120.300 -0.108 0.000 2.242 141 Y HA -0.128 4.437 4.550 0.025 0.000 0.291 141 Y C 1.562 177.434 175.900 -0.047 0.000 1.137 141 Y CA 0.729 58.789 58.100 -0.066 0.000 1.181 141 Y CB 0.065 38.493 38.460 -0.052 0.000 0.989 141 Y HN 0.389 nan 8.280 nan 0.000 0.527 142 K N -1.122 119.339 120.400 0.102 0.000 2.548 142 K HA 0.414 4.748 4.320 0.025 0.000 0.282 142 K C -0.917 175.687 176.600 0.007 0.000 1.006 142 K CA -0.944 55.372 56.287 0.048 0.000 0.892 142 K CB 1.578 34.106 32.500 0.047 0.000 1.499 142 K HN -0.251 nan 8.250 nan 0.000 0.433 143 S N 0.695 116.396 115.700 0.003 0.000 2.549 143 S HA 0.152 4.637 4.470 0.025 0.000 0.286 143 S C 0.355 174.943 174.600 -0.020 0.000 1.314 143 S CA -0.578 57.615 58.200 -0.012 0.000 1.062 143 S CB -0.167 63.030 63.200 -0.006 0.000 0.865 143 S HN 0.545 nan 8.310 nan 0.000 0.498 144 L N 4.670 125.870 121.223 -0.039 0.000 3.017 144 L HA 0.139 4.494 4.340 0.025 0.000 0.255 144 L C 1.982 178.834 176.870 -0.030 0.000 1.247 144 L CA -0.031 54.791 54.840 -0.029 0.000 1.038 144 L CB -0.138 41.904 42.059 -0.029 0.000 1.380 144 L HN 0.861 nan 8.230 nan 0.000 0.548 145 S N -1.704 113.978 115.700 -0.031 0.000 2.440 145 S HA -0.195 4.290 4.470 0.025 0.000 0.238 145 S C 1.250 175.833 174.600 -0.027 0.000 1.010 145 S CA 1.184 59.365 58.200 -0.032 0.000 0.972 145 S CB -0.156 63.030 63.200 -0.023 0.000 0.774 145 S HN 0.396 nan 8.310 nan 0.000 0.501 146 D N 1.949 122.338 120.400 -0.019 0.000 2.264 146 D HA 0.017 4.671 4.640 0.025 0.000 0.208 146 D C 1.775 178.060 176.300 -0.025 0.000 0.966 146 D CA 1.390 55.379 54.000 -0.018 0.000 0.864 146 D CB -0.177 40.618 40.800 -0.009 0.000 0.933 146 D HN 0.819 nan 8.370 nan 0.000 0.499 147 I N -4.364 116.192 120.570 -0.023 0.000 4.456 147 I HA 0.230 4.415 4.170 0.025 0.000 0.329 147 I C 0.391 176.471 176.117 -0.062 0.000 1.313 147 I CA -0.064 61.216 61.300 -0.034 0.000 1.205 147 I CB 1.205 39.205 38.000 0.001 0.000 1.179 147 I HN -0.253 nan 8.210 nan 0.000 0.419 148 T N 1.725 116.243 114.554 -0.060 0.000 3.041 148 T HA 0.316 4.681 4.350 0.025 0.000 0.321 148 T C -0.061 174.585 174.700 -0.089 0.000 1.184 148 T CA -0.686 61.358 62.100 -0.092 0.000 1.050 148 T CB 1.782 70.585 68.868 -0.108 0.000 1.159 148 T HN 0.419 nan 8.240 nan 0.000 0.469 149 K N 2.567 122.913 120.400 -0.090 0.000 2.476 149 K HA 0.550 4.885 4.320 0.025 0.000 0.196 149 K C 0.737 177.296 176.600 -0.068 0.000 1.025 149 K CA -0.333 55.913 56.287 -0.068 0.000 1.138 149 K CB 0.205 32.672 32.500 -0.055 0.000 0.860 149 K HN 0.496 nan 8.250 nan 0.000 0.515 150 A N 2.170 124.923 122.820 -0.111 0.000 2.545 150 A HA -0.056 4.279 4.320 0.025 0.000 0.253 150 A C 0.573 178.110 177.584 -0.078 0.000 1.074 150 A CA 0.068 52.044 52.037 -0.101 0.000 0.760 150 A CB 0.072 18.925 19.000 -0.245 0.000 1.005 150 A HN 0.464 nan 8.150 nan 0.000 0.506 151 D N 2.283 122.716 120.400 0.055 0.000 2.144 151 D HA -0.234 4.421 4.640 0.025 0.000 0.199 151 D C 1.380 177.754 176.300 0.122 0.000 0.984 151 D CA 2.205 56.253 54.000 0.081 0.000 0.834 151 D CB -0.248 40.621 40.800 0.115 0.000 0.955 151 D HN 0.738 nan 8.370 nan 0.000 0.465 152 F N -0.417 119.553 119.950 0.034 0.000 2.408 152 F HA 0.080 4.622 4.527 0.025 0.000 0.300 152 F C 1.091 176.981 175.800 0.150 0.000 1.090 152 F CA 0.589 58.649 58.000 0.100 0.000 1.427 152 F CB -0.248 38.803 39.000 0.085 0.000 1.070 152 F HN -0.037 nan 8.300 nan 0.000 0.549 153 L N 0.787 121.730 121.223 -0.467 0.000 2.857 153 L HA 0.195 4.549 4.340 0.025 0.000 0.249 153 L C 1.878 178.661 176.870 -0.145 0.000 1.172 153 L CA 0.372 54.989 54.840 -0.373 0.000 0.980 153 L CB -0.104 41.618 42.059 -0.562 0.000 1.299 153 L HN 0.326 nan 8.230 nan 0.000 0.535 154 S N -2.365 113.294 115.700 -0.069 0.000 2.503 154 S HA 0.039 4.524 4.470 0.025 0.000 0.217 154 S C 0.383 174.980 174.600 -0.005 0.000 0.999 154 S CA -0.064 58.117 58.200 -0.032 0.000 0.914 154 S CB 0.157 63.351 63.200 -0.010 0.000 0.782 154 S HN 0.355 nan 8.310 nan 0.000 0.520 155 D N 0.732 121.140 120.400 0.013 0.000 2.861 155 D HA 0.321 4.976 4.640 0.025 0.000 0.216 155 D C -2.502 173.814 176.300 0.027 0.000 1.323 155 D CA -1.814 52.201 54.000 0.024 0.000 0.917 155 D CB 2.034 42.855 40.800 0.035 0.000 1.582 155 D HN -0.161 nan 8.370 nan 0.000 0.576 156 P HA -0.095 nan 4.420 nan 0.000 0.221 156 P C 0.451 177.767 177.300 0.028 0.000 1.145 156 P CA 0.745 63.857 63.100 0.019 0.000 0.795 156 P CB 0.393 32.115 31.700 0.036 0.000 0.775 157 N N -0.432 118.289 118.700 0.036 0.000 2.336 157 N HA 0.001 4.755 4.740 0.025 0.000 0.189 157 N C 0.632 176.175 175.510 0.056 0.000 1.113 157 N CA 0.233 53.307 53.050 0.040 0.000 0.858 157 N CB 0.093 38.599 38.487 0.032 0.000 0.970 157 N HN 0.274 nan 8.380 nan 0.000 0.471 158 K N 1.773 122.218 120.400 0.074 0.000 2.310 158 K HA 0.178 4.513 4.320 0.025 0.000 0.290 158 K C -0.483 176.213 176.600 0.161 0.000 1.077 158 K CA -0.202 56.155 56.287 0.116 0.000 0.922 158 K CB 0.434 33.018 32.500 0.140 0.000 1.057 158 K HN -0.126 nan 8.250 nan 0.000 0.479 159 I N 3.794 124.460 120.570 0.160 0.000 2.353 159 I HA 0.153 4.338 4.170 0.025 0.000 0.293 159 I C 0.126 176.414 176.117 0.285 0.000 0.992 159 I CA -0.373 61.056 61.300 0.216 0.000 1.268 159 I CB 1.492 39.564 38.000 0.120 0.000 1.387 159 I HN 0.522 nan 8.210 nan 0.000 0.478 160 T N 7.811 122.620 114.554 0.424 0.000 2.772 160 T HA 0.361 4.726 4.350 0.025 0.000 0.288 160 T C -2.456 172.499 174.700 0.426 0.000 0.994 160 T CA -1.353 61.015 62.100 0.446 0.000 0.951 160 T CB 1.617 70.849 68.868 0.608 0.000 0.933 160 T HN 0.273 nan 8.240 nan 0.000 0.447 161 P HA 0.200 nan 4.420 nan 0.000 0.266 161 P C -0.503 177.030 177.300 0.389 0.000 1.195 161 P CA -0.357 62.940 63.100 0.328 0.000 0.768 161 P CB 0.499 32.328 31.700 0.216 0.000 0.838 162 V N 0.531 120.609 119.914 0.272 0.000 3.074 162 V HA 0.737 4.872 4.120 0.025 0.000 0.314 162 V C -1.173 175.076 176.094 0.258 0.000 1.117 162 V CA -0.943 61.414 62.300 0.095 0.000 1.014 162 V CB 2.194 33.856 31.823 -0.269 0.000 1.057 162 V HN 0.306 nan 8.190 nan 0.000 0.438 163 F N 1.781 121.700 119.950 -0.051 0.000 2.539 163 F HA 0.829 5.371 4.527 0.025 0.000 0.318 163 F C -0.891 174.798 175.800 -0.185 0.000 1.135 163 F CA -0.842 57.073 58.000 -0.141 0.000 0.915 163 F CB 1.932 40.880 39.000 -0.087 0.000 1.176 163 F HN 0.510 nan 8.300 nan 0.000 0.440 164 V N 6.620 126.079 119.914 -0.758 0.000 2.555 164 V HA 0.581 4.715 4.120 0.025 0.000 0.302 164 V C -0.670 174.761 176.094 -1.104 0.000 1.038 164 V CA -0.830 60.945 62.300 -0.875 0.000 0.887 164 V CB 1.965 33.214 31.823 -0.956 0.000 0.991 164 V HN 0.732 nan 8.190 nan 0.000 0.434 165 R N 3.608 123.459 120.500 -1.080 0.000 2.439 165 R HA 0.607 4.962 4.340 0.025 0.000 0.310 165 R C -1.612 174.091 176.300 -0.995 0.000 0.955 165 R CA -0.423 55.138 56.100 -0.899 0.000 0.853 165 R CB 1.099 31.042 30.300 -0.596 0.000 1.171 165 R HN 0.546 nan 8.270 nan 0.000 0.449 166 F N 1.937 121.466 119.950 -0.702 0.000 2.399 166 F HA 0.528 5.069 4.527 0.025 0.000 0.328 166 F C 0.489 175.920 175.800 -0.615 0.000 1.084 166 F CA -0.256 57.203 58.000 -0.902 0.000 1.053 166 F CB 2.090 40.035 39.000 -1.760 0.000 1.209 166 F HN 0.569 nan 8.300 nan 0.000 0.502 167 S N -1.137 114.478 115.700 -0.143 0.000 2.588 167 S HA 0.626 5.111 4.470 0.025 0.000 0.269 167 S C -0.541 174.202 174.600 0.238 0.000 1.157 167 S CA -0.901 57.369 58.200 0.117 0.000 0.824 167 S CB 1.326 64.650 63.200 0.207 0.000 1.126 167 S HN 0.743 nan 8.310 nan 0.000 0.464 168 T N -1.320 113.376 114.554 0.237 0.000 2.865 168 T HA 0.648 5.013 4.350 0.025 0.000 0.302 168 T C 0.858 175.536 174.700 -0.037 0.000 1.078 168 T CA -0.030 62.167 62.100 0.161 0.000 0.942 168 T CB 0.153 69.118 68.868 0.162 0.000 1.387 168 T HN 0.629 nan 8.240 nan 0.000 0.557 169 V N -0.137 119.713 119.914 -0.107 0.000 2.948 169 V HA 0.142 4.277 4.120 0.025 0.000 0.234 169 V C 2.731 178.751 176.094 -0.123 0.000 1.205 169 V CA 0.337 62.445 62.300 -0.321 0.000 1.234 169 V CB -0.355 31.357 31.823 -0.184 0.000 1.020 169 V HN 0.866 nan 8.190 nan 0.000 0.491 170 Q N 1.010 120.778 119.800 -0.054 0.000 2.123 170 Q HA 0.094 4.448 4.340 0.025 0.000 0.196 170 Q C 1.226 177.205 176.000 -0.035 0.000 0.958 170 Q CA 1.264 57.033 55.803 -0.056 0.000 0.841 170 Q CB 0.046 28.739 28.738 -0.075 0.000 0.915 170 Q HN 0.592 nan 8.270 nan 0.000 0.455 171 G N -0.214 108.579 108.800 -0.011 0.000 2.537 171 G HA2 0.436 4.411 3.960 0.025 0.000 0.273 171 G HA3 0.436 4.411 3.960 0.025 0.000 0.273 171 G C 0.099 175.008 174.900 0.016 0.000 1.189 171 G CA 0.018 45.116 45.100 -0.004 0.000 0.881 171 G HN 0.314 nan 8.290 nan 0.000 0.535 172 G N -1.110 107.694 108.800 0.008 0.000 2.683 172 G HA2 0.458 4.433 3.960 0.025 0.000 0.260 172 G HA3 0.458 4.433 3.960 0.025 0.000 0.260 172 G C 1.356 176.289 174.900 0.055 0.000 1.238 172 G CA 0.456 45.572 45.100 0.026 0.000 0.934 172 G HN 1.072 nan 8.290 nan 0.000 0.534 173 A N -0.881 121.982 122.820 0.071 0.000 2.070 173 A HA 0.151 4.486 4.320 0.025 0.000 0.220 173 A C 2.171 179.798 177.584 0.072 0.000 1.159 173 A CA 1.928 54.028 52.037 0.105 0.000 0.656 173 A CB -0.322 18.757 19.000 0.132 0.000 0.800 173 A HN 1.139 nan 8.150 nan 0.000 0.453 174 G N -0.126 108.696 108.800 0.037 0.000 3.434 174 G HA2 0.351 4.326 3.960 0.025 0.000 0.258 174 G HA3 0.351 4.326 3.960 0.025 0.000 0.258 174 G C 0.631 175.534 174.900 0.006 0.000 1.128 174 G CA 0.633 45.739 45.100 0.010 0.000 0.792 174 G HN 0.632 nan 8.290 nan 0.000 0.539 175 S N -0.224 115.489 115.700 0.020 0.000 2.661 175 S HA 0.747 5.232 4.470 0.025 0.000 0.265 175 S C 0.436 175.052 174.600 0.027 0.000 1.225 175 S CA -0.084 58.125 58.200 0.014 0.000 0.986 175 S CB 1.642 64.852 63.200 0.016 0.000 1.008 175 S HN 0.569 nan 8.310 nan 0.000 0.565 176 A N 0.126 122.958 122.820 0.019 0.000 2.302 176 A HA 0.469 4.803 4.320 0.025 0.000 0.285 176 A C 0.562 178.171 177.584 0.041 0.000 1.105 176 A CA -0.635 51.410 52.037 0.013 0.000 0.816 176 A CB 0.044 19.035 19.000 -0.016 0.000 1.067 176 A HN 0.854 nan 8.150 nan 0.000 0.489 177 D N 0.529 120.944 120.400 0.025 0.000 2.103 177 D HA -0.069 4.585 4.640 0.025 0.000 0.199 177 D C 1.653 177.946 176.300 -0.012 0.000 0.978 177 D CA 2.288 56.318 54.000 0.050 0.000 0.829 177 D CB -0.182 40.606 40.800 -0.021 0.000 0.981 177 D HN 0.675 nan 8.370 nan 0.000 0.464 178 T N -0.234 114.231 114.554 -0.149 0.000 3.332 178 T HA 0.284 4.648 4.350 0.025 0.000 0.246 178 T C 0.802 175.496 174.700 -0.009 0.000 0.943 178 T CA -0.576 61.430 62.100 -0.156 0.000 0.922 178 T CB -0.957 67.726 68.868 -0.307 0.000 1.086 178 T HN -0.074 nan 8.240 nan 0.000 0.590 179 V N -1.215 118.745 119.914 0.076 0.000 3.319 179 V HA 0.438 4.573 4.120 0.025 0.000 0.303 179 V C 0.698 176.937 176.094 0.243 0.000 1.094 179 V CA -1.396 61.000 62.300 0.159 0.000 1.106 179 V CB 0.375 32.275 31.823 0.128 0.000 1.099 179 V HN 0.550 nan 8.190 nan 0.000 0.476 180 R N 1.678 122.372 120.500 0.324 0.000 2.248 180 R HA 0.456 4.811 4.340 0.025 0.000 0.328 180 R C -0.922 175.457 176.300 0.132 0.000 1.067 180 R CA -0.040 56.196 56.100 0.226 0.000 0.924 180 R CB 0.089 30.444 30.300 0.092 0.000 1.013 180 R HN 1.060 nan 8.270 nan 0.000 0.454 181 D N 3.291 123.782 120.400 0.152 0.000 2.710 181 D HA 0.178 4.832 4.640 0.025 0.000 0.276 181 D C -0.570 175.845 176.300 0.191 0.000 1.267 181 D CA -0.621 53.459 54.000 0.134 0.000 0.772 181 D CB 1.198 42.069 40.800 0.119 0.000 1.299 181 D HN 0.211 nan 8.370 nan 0.000 0.421 182 I N 1.369 122.071 120.570 0.220 0.000 2.836 182 I HA 0.193 4.378 4.170 0.025 0.000 0.285 182 I C 0.901 177.161 176.117 0.237 0.000 1.174 182 I CA 0.004 61.446 61.300 0.237 0.000 1.405 182 I CB -0.071 38.102 38.000 0.289 0.000 1.385 182 I HN 0.231 nan 8.210 nan 0.000 0.594 183 R N 2.965 123.627 120.500 0.271 0.000 2.589 183 R HA 0.563 4.918 4.340 0.025 0.000 0.293 183 R C -0.005 176.489 176.300 0.323 0.000 0.963 183 R CA -0.748 55.529 56.100 0.296 0.000 0.905 183 R CB 1.389 31.886 30.300 0.328 0.000 1.144 183 R HN 0.808 nan 8.270 nan 0.000 0.459 184 G N 1.039 110.047 108.800 0.347 0.000 2.420 184 G HA2 0.480 4.455 3.960 0.025 0.000 0.284 184 G HA3 0.480 4.455 3.960 0.025 0.000 0.284 184 G C -1.286 173.695 174.900 0.136 0.000 1.177 184 G CA -0.066 45.205 45.100 0.285 0.000 0.841 184 G HN 0.359 nan 8.290 nan 0.000 0.527 185 F N 1.869 121.718 119.950 -0.169 0.000 3.034 185 F HA 0.648 5.190 4.527 0.024 0.000 0.371 185 F C -0.342 175.157 175.800 -0.502 0.000 1.233 185 F CA -1.892 55.900 58.000 -0.346 0.000 1.134 185 F CB 1.092 40.014 39.000 -0.130 0.000 1.495 185 F HN 0.676 nan 8.300 nan 0.000 0.563 186 A N 3.542 126.107 122.820 -0.425 0.000 2.331 186 A HA 0.799 5.134 4.320 0.025 0.000 0.320 186 A C -0.715 176.451 177.584 -0.697 0.000 1.138 186 A CA -0.480 51.143 52.037 -0.690 0.000 0.790 186 A CB 0.978 19.147 19.000 -1.385 0.000 1.206 186 A HN 0.555 nan 8.150 nan 0.000 0.470 187 T N 2.212 116.510 114.554 -0.427 0.000 2.809 187 T HA 0.389 4.753 4.350 0.025 0.000 0.284 187 T C -0.384 174.131 174.700 -0.308 0.000 0.992 187 T CA -0.468 61.377 62.100 -0.425 0.000 0.957 187 T CB 1.093 69.647 68.868 -0.524 0.000 0.942 187 T HN 0.631 nan 8.240 nan 0.000 0.439 188 K N 3.549 123.835 120.400 -0.189 0.000 2.281 188 K HA 0.442 4.777 4.320 0.025 0.000 0.272 188 K C -1.269 174.984 176.600 -0.578 0.000 1.048 188 K CA -0.569 55.512 56.287 -0.343 0.000 0.898 188 K CB 0.288 32.534 32.500 -0.423 0.000 1.128 188 K HN 0.395 nan 8.250 nan 0.000 0.460 189 F N 4.254 123.897 119.950 -0.512 0.000 2.391 189 F HA 0.232 4.774 4.527 0.025 0.000 0.359 189 F C -0.407 175.171 175.800 -0.370 0.000 1.122 189 F CA -0.569 57.195 58.000 -0.393 0.000 1.120 189 F CB 0.716 39.393 39.000 -0.537 0.000 1.142 189 F HN 0.452 nan 8.300 nan 0.000 0.483 190 Y N 1.896 122.249 120.300 0.088 0.000 2.714 190 Y HA 0.198 4.762 4.550 0.024 0.000 0.333 190 Y C 1.050 177.004 175.900 0.090 0.000 1.220 190 Y CA -0.857 57.278 58.100 0.058 0.000 1.513 190 Y CB -0.213 38.271 38.460 0.040 0.000 1.435 190 Y HN 0.535 nan 8.280 nan 0.000 0.489 191 T N -2.484 112.162 114.554 0.153 0.000 2.849 191 T HA 0.130 4.495 4.350 0.025 0.000 0.284 191 T C 1.062 175.856 174.700 0.156 0.000 1.004 191 T CA -0.643 61.555 62.100 0.163 0.000 1.021 191 T CB 1.015 69.953 68.868 0.116 0.000 1.013 191 T HN 0.650 nan 8.240 nan 0.000 0.527 192 E N 0.159 120.456 120.200 0.161 0.000 2.409 192 E HA -0.065 4.299 4.350 0.025 0.000 0.198 192 E C 1.159 177.826 176.600 0.113 0.000 1.024 192 E CA 0.795 57.272 56.400 0.129 0.000 0.861 192 E CB 0.107 29.880 29.700 0.122 0.000 0.788 192 E HN 0.739 nan 8.360 nan 0.000 0.521 193 E N 0.003 120.273 120.200 0.116 0.000 2.624 193 E HA 0.248 4.613 4.350 0.025 0.000 0.210 193 E C 0.209 176.860 176.600 0.086 0.000 0.997 193 E CA -0.159 56.302 56.400 0.102 0.000 0.999 193 E CB 1.313 31.076 29.700 0.105 0.000 1.040 193 E HN 0.182 nan 8.360 nan 0.000 0.469 194 G N 1.072 109.918 108.800 0.076 0.000 2.355 194 G HA2 -0.097 3.878 3.960 0.025 0.000 0.619 194 G HA3 -0.097 3.878 3.960 0.025 0.000 0.619 194 G C -1.086 173.825 174.900 0.019 0.000 1.337 194 G CA -1.100 44.023 45.100 0.038 0.000 0.993 194 G HN -0.003 nan 8.290 nan 0.000 0.599 195 I N 0.574 121.120 120.570 -0.040 0.000 2.529 195 I HA 0.466 4.651 4.170 0.025 0.000 0.284 195 I C 0.024 176.149 176.117 0.014 0.000 1.082 195 I CA -0.315 60.933 61.300 -0.086 0.000 1.406 195 I CB 0.896 38.777 38.000 -0.199 0.000 1.405 195 I HN 0.472 nan 8.210 nan 0.000 0.548 196 F N 6.500 126.343 119.950 -0.177 0.000 2.449 196 F HA 0.445 4.987 4.527 0.025 0.000 0.342 196 F C -0.575 175.179 175.800 -0.076 0.000 1.127 196 F CA -1.205 56.687 58.000 -0.180 0.000 0.975 196 F CB 0.792 39.527 39.000 -0.441 0.000 1.146 196 F HN 0.346 nan 8.300 nan 0.000 0.444 197 D N 6.913 127.070 120.400 -0.405 0.000 2.303 197 D HA 0.265 4.920 4.640 0.025 0.000 0.236 197 D C -0.724 175.075 176.300 -0.834 0.000 1.068 197 D CA 0.010 53.734 54.000 -0.460 0.000 0.830 197 D CB 2.340 43.077 40.800 -0.105 0.000 1.109 197 D HN 0.626 nan 8.370 nan 0.000 0.496 198 L N 3.131 123.840 121.223 -0.857 0.000 2.277 198 L HA 0.310 4.665 4.340 0.025 0.000 0.284 198 L C -1.012 175.632 176.870 -0.376 0.000 1.028 198 L CA -0.635 53.789 54.840 -0.693 0.000 0.835 198 L CB 0.824 42.482 42.059 -0.669 0.000 1.215 198 L HN 0.052 nan 8.230 nan 0.000 0.425 199 V N 5.473 125.203 119.914 -0.306 0.000 2.259 199 V HA 0.541 4.676 4.120 0.025 0.000 0.267 199 V C 0.705 176.695 176.094 -0.173 0.000 1.051 199 V CA -0.298 61.836 62.300 -0.277 0.000 0.830 199 V CB 0.605 32.221 31.823 -0.344 0.000 1.080 199 V HN 0.836 nan 8.190 nan 0.000 0.467 200 G N 3.148 111.863 108.800 -0.142 0.000 3.013 200 G HA2 0.698 4.673 3.960 0.025 0.000 0.278 200 G HA3 0.698 4.673 3.960 0.025 0.000 0.278 200 G C -1.007 173.918 174.900 0.041 0.000 1.353 200 G CA -0.586 44.486 45.100 -0.047 0.000 1.043 200 G HN 0.468 nan 8.290 nan 0.000 0.523 201 N N -1.120 117.652 118.700 0.119 0.000 2.761 201 N HA 0.260 5.015 4.740 0.025 0.000 0.283 201 N C 0.169 175.868 175.510 0.314 0.000 1.377 201 N CA -0.745 52.435 53.050 0.218 0.000 0.791 201 N CB 1.449 40.045 38.487 0.182 0.000 1.540 201 N HN 0.517 nan 8.380 nan 0.000 0.539 202 N N -1.316 117.585 118.700 0.335 0.000 2.276 202 N HA 0.014 4.769 4.740 0.025 0.000 0.212 202 N C -0.551 175.213 175.510 0.423 0.000 1.127 202 N CA -0.114 53.195 53.050 0.432 0.000 0.834 202 N CB -0.152 38.565 38.487 0.383 0.000 1.014 202 N HN 0.549 nan 8.380 nan 0.000 0.491 203 T N -3.715 110.894 114.554 0.093 0.000 2.896 203 T HA 0.470 4.835 4.350 0.025 0.000 0.297 203 T C -2.728 171.316 174.700 -1.093 0.000 1.108 203 T CA -1.524 60.157 62.100 -0.697 0.000 1.004 203 T CB 2.964 71.346 68.868 -0.811 0.000 1.159 203 T HN -0.231 nan 8.240 nan 0.000 0.499 204 P HA 0.241 nan 4.420 nan 0.000 0.257 204 P C 0.278 177.069 177.300 -0.849 0.000 1.281 204 P CA -0.033 62.206 63.100 -1.434 0.000 0.826 204 P CB -0.093 30.693 31.700 -1.524 0.000 1.237 205 I N -4.329 115.714 120.570 -0.879 0.000 3.343 205 I HA 0.571 4.756 4.170 0.025 0.000 0.315 205 I C -1.427 174.425 176.117 -0.443 0.000 1.153 205 I CA -1.998 58.933 61.300 -0.615 0.000 0.952 205 I CB 1.361 38.952 38.000 -0.682 0.000 1.287 205 I HN -0.234 nan 8.210 nan 0.000 0.472 206 F N 0.129 119.790 119.950 -0.483 0.000 2.639 206 F HA 0.518 5.060 4.527 0.025 0.000 0.339 206 F C 0.340 175.871 175.800 -0.449 0.000 1.071 206 F CA -0.758 56.984 58.000 -0.430 0.000 0.994 206 F CB 1.950 40.833 39.000 -0.196 0.000 1.341 206 F HN 0.374 nan 8.300 nan 0.000 0.498 207 F N 2.143 121.252 119.950 -1.401 0.000 2.293 207 F HA 0.028 4.570 4.527 0.025 0.000 0.300 207 F C 0.664 176.175 175.800 -0.481 0.000 1.086 207 F CA 0.927 58.340 58.000 -0.979 0.000 1.375 207 F CB -0.132 37.858 39.000 -1.683 0.000 1.045 207 F HN 0.149 nan 8.300 nan 0.000 0.516 208 I N -3.663 116.888 120.570 -0.031 0.000 3.042 208 I HA 0.374 4.559 4.170 0.025 0.000 0.310 208 I C 0.293 176.560 176.117 0.250 0.000 1.117 208 I CA -0.830 60.567 61.300 0.163 0.000 1.003 208 I CB 1.956 40.120 38.000 0.274 0.000 1.228 208 I HN -0.196 nan 8.210 nan 0.000 0.443 209 Q N 0.262 120.206 119.800 0.240 0.000 2.324 209 Q HA 0.166 4.521 4.340 0.025 0.000 0.207 209 Q C -0.328 175.842 176.000 0.284 0.000 0.928 209 Q CA 0.508 56.486 55.803 0.292 0.000 0.890 209 Q CB 0.586 29.560 28.738 0.393 0.000 1.001 209 Q HN 0.647 nan 8.270 nan 0.000 0.517 210 D N -0.946 119.597 120.400 0.237 0.000 2.375 210 D HA 0.305 4.959 4.640 0.025 0.000 0.247 210 D C 0.069 176.495 176.300 0.210 0.000 1.061 210 D CA -0.185 53.925 54.000 0.183 0.000 0.834 210 D CB 1.864 42.745 40.800 0.135 0.000 1.247 210 D HN 0.069 nan 8.370 nan 0.000 0.489 211 A N 3.486 126.400 122.820 0.156 0.000 2.024 211 A HA -0.252 4.083 4.320 0.025 0.000 0.220 211 A C 1.793 179.499 177.584 0.204 0.000 1.164 211 A CA 1.684 53.810 52.037 0.149 0.000 0.643 211 A CB -0.769 18.261 19.000 0.050 0.000 0.806 211 A HN 0.818 nan 8.150 nan 0.000 0.451 212 H N 0.003 119.131 119.070 0.098 0.000 2.457 212 H HA -0.036 4.535 4.556 0.025 0.000 0.297 212 H C 1.605 177.013 175.328 0.133 0.000 1.092 212 H CA 1.893 57.994 56.048 0.088 0.000 1.309 212 H CB 0.049 29.839 29.762 0.047 0.000 1.382 212 H HN 0.428 nan 8.280 nan 0.000 0.535 213 K N -0.752 119.775 120.400 0.211 0.000 2.444 213 K HA -0.039 4.295 4.320 0.025 0.000 0.193 213 K C 1.468 178.208 176.600 0.233 0.000 1.024 213 K CA 0.038 56.449 56.287 0.207 0.000 1.077 213 K CB 0.062 32.739 32.500 0.296 0.000 0.833 213 K HN 0.290 nan 8.250 nan 0.000 0.517 214 F N 2.975 122.983 119.950 0.098 0.000 2.095 214 F HA -0.162 4.380 4.527 0.024 0.000 0.298 214 F C -1.013 174.805 175.800 0.029 0.000 1.104 214 F CA 1.418 59.502 58.000 0.139 0.000 1.232 214 F CB -0.450 38.616 39.000 0.109 0.000 0.987 214 F HN 0.020 nan 8.300 nan 0.000 0.475 215 P HA -0.133 nan 4.420 nan 0.000 0.218 215 P C 0.969 177.957 177.300 -0.521 0.000 1.149 215 P CA 1.671 64.537 63.100 -0.391 0.000 0.817 215 P CB -0.065 31.423 31.700 -0.352 0.000 0.785 216 D N -1.214 119.023 120.400 -0.272 0.000 2.084 216 D HA -0.153 4.501 4.640 0.025 0.000 0.196 216 D C 1.805 177.802 176.300 -0.505 0.000 0.985 216 D CA 1.041 54.913 54.000 -0.213 0.000 0.826 216 D CB -0.857 39.998 40.800 0.090 0.000 0.978 216 D HN 0.143 nan 8.370 nan 0.000 0.456 217 F N 1.916 121.459 119.950 -0.678 0.000 2.069 217 F HA -0.245 4.297 4.527 0.025 0.000 0.298 217 F C 2.284 177.698 175.800 -0.643 0.000 1.113 217 F CA 1.254 58.675 58.000 -0.965 0.000 1.214 217 F CB -0.213 38.462 39.000 -0.542 0.000 0.978 217 F HN -0.243 nan 8.300 nan 0.000 0.474 218 V N 0.142 119.626 119.914 -0.716 0.000 2.358 218 V HA -0.326 3.809 4.120 0.025 0.000 0.246 218 V C 2.274 178.131 176.094 -0.395 0.000 1.047 218 V CA 2.378 64.292 62.300 -0.643 0.000 1.035 218 V CB -1.086 30.381 31.823 -0.594 0.000 0.658 218 V HN 0.468 nan 8.190 nan 0.000 0.452 219 H N -0.092 118.737 119.070 -0.401 0.000 2.387 219 H HA -0.177 4.393 4.556 0.024 0.000 0.299 219 H C 2.335 177.504 175.328 -0.267 0.000 1.099 219 H CA 1.131 57.025 56.048 -0.257 0.000 1.315 219 H CB 0.025 29.685 29.762 -0.169 0.000 1.380 219 H HN 0.489 nan 8.280 nan 0.000 0.513 220 A N 0.370 123.001 122.820 -0.314 0.000 1.933 220 A HA -0.115 4.220 4.320 0.025 0.000 0.218 220 A C 2.510 179.927 177.584 -0.279 0.000 1.175 220 A CA 1.443 53.286 52.037 -0.322 0.000 0.628 220 A CB -0.680 17.995 19.000 -0.542 0.000 0.814 220 A HN 0.307 nan 8.150 nan 0.000 0.444 221 V N -0.305 119.320 119.914 -0.482 0.000 2.788 221 V HA 0.010 4.145 4.120 0.025 0.000 0.251 221 V C 0.888 176.953 176.094 -0.048 0.000 1.068 221 V CA 0.774 62.891 62.300 -0.304 0.000 1.090 221 V CB -0.454 31.007 31.823 -0.603 0.000 0.710 221 V HN 0.329 nan 8.190 nan 0.000 0.467 222 K N 1.056 121.389 120.400 -0.112 0.000 2.187 222 K HA 0.233 4.568 4.320 0.025 0.000 0.247 222 K C -2.310 174.243 176.600 -0.078 0.000 1.019 222 K CA -1.671 54.563 56.287 -0.088 0.000 0.893 222 K CB -0.271 32.169 32.500 -0.100 0.000 1.025 222 K HN 0.156 nan 8.250 nan 0.000 0.500 223 P HA -0.015 nan 4.420 nan 0.000 0.266 223 P C -0.503 176.742 177.300 -0.091 0.000 1.195 223 P CA 0.398 63.366 63.100 -0.220 0.000 0.768 223 P CB 0.359 31.937 31.700 -0.203 0.000 0.838 224 E N 4.899 125.094 120.200 -0.008 0.000 2.383 224 E HA 0.015 4.380 4.350 0.025 0.000 0.264 224 E C -1.294 175.395 176.600 0.148 0.000 1.050 224 E CA -1.359 55.144 56.400 0.172 0.000 0.896 224 E CB 0.203 30.144 29.700 0.402 0.000 0.982 224 E HN 0.424 nan 8.360 nan 0.000 0.424 225 P HA -0.170 nan 4.420 nan 0.000 0.227 225 P C 0.929 178.314 177.300 0.142 0.000 1.161 225 P CA 1.201 64.350 63.100 0.082 0.000 0.788 225 P CB 0.100 31.813 31.700 0.022 0.000 0.822 226 H N -0.456 118.658 119.070 0.072 0.000 2.299 226 H HA -0.085 4.486 4.556 0.025 0.000 0.302 226 H C 1.519 176.954 175.328 0.178 0.000 1.078 226 H CA 1.467 57.546 56.048 0.053 0.000 1.323 226 H CB -1.411 28.312 29.762 -0.065 0.000 1.381 226 H HN 0.299 nan 8.280 nan 0.000 0.498 227 W N 0.119 121.064 121.300 -0.592 0.000 2.870 227 W HA 0.691 5.365 4.660 0.024 0.000 0.358 227 W C 0.447 176.804 176.519 -0.270 0.000 1.043 227 W CA -0.958 56.155 57.345 -0.387 0.000 1.692 227 W CB -0.722 28.478 29.460 -0.432 0.000 1.100 227 W HN 0.456 nan 8.180 nan 0.000 0.557 228 A N 1.324 124.118 122.820 -0.043 0.000 2.667 228 A HA -0.133 4.202 4.320 0.025 0.000 0.298 228 A C -0.437 176.910 177.584 -0.396 0.000 1.483 228 A CA 1.415 53.349 52.037 -0.173 0.000 0.738 228 A CB -2.406 16.521 19.000 -0.122 0.000 1.067 228 A HN 0.464 nan 8.150 nan 0.000 0.451 229 I N 0.458 120.647 120.570 -0.634 0.000 2.769 229 I HA 0.559 4.744 4.170 0.025 0.000 0.298 229 I C -2.450 173.359 176.117 -0.513 0.000 1.128 229 I CA -2.434 58.403 61.300 -0.771 0.000 1.031 229 I CB 2.963 40.005 38.000 -1.597 0.000 1.235 229 I HN 0.221 nan 8.210 nan 0.000 0.423 230 P HA 0.294 nan 4.420 nan 0.000 0.287 230 P C -1.565 175.566 177.300 -0.283 0.000 1.279 230 P CA -0.795 62.080 63.100 -0.376 0.000 0.867 230 P CB 1.536 33.088 31.700 -0.247 0.000 1.127 231 Q N 0.674 120.355 119.800 -0.198 0.000 2.267 231 Q HA 0.482 4.836 4.340 0.025 0.000 0.255 231 Q C 1.030 176.988 176.000 -0.070 0.000 0.923 231 Q CA 0.992 56.718 55.803 -0.128 0.000 0.925 231 Q CB -0.317 28.357 28.738 -0.107 0.000 1.195 231 Q HN 0.823 nan 8.270 nan 0.000 0.417 232 G N 3.261 112.030 108.800 -0.052 0.000 2.176 232 G HA2 -0.274 3.700 3.960 0.025 0.000 0.252 232 G HA3 -0.274 3.700 3.960 0.025 0.000 0.252 232 G C -0.459 174.452 174.900 0.017 0.000 1.024 232 G CA 0.430 45.527 45.100 -0.005 0.000 0.755 232 G HN 0.545 nan 8.290 nan 0.000 0.507 233 Q N -1.049 118.744 119.800 -0.012 0.000 2.309 233 Q HA 0.545 4.900 4.340 0.025 0.000 0.273 233 Q C 0.665 176.665 176.000 0.001 0.000 1.040 233 Q CA -0.144 55.677 55.803 0.029 0.000 0.834 233 Q CB 1.788 30.584 28.738 0.098 0.000 1.345 233 Q HN 0.479 nan 8.270 nan 0.000 0.414 234 S N -0.580 115.017 115.700 -0.171 0.000 2.575 234 S HA 0.225 4.710 4.470 0.025 0.000 0.215 234 S C 0.851 175.362 174.600 -0.148 0.000 0.966 234 S CA -0.041 57.823 58.200 -0.560 0.000 0.911 234 S CB 0.363 62.639 63.200 -1.540 0.000 0.780 234 S HN 0.595 nan 8.310 nan 0.000 0.514 235 A N 2.395 125.333 122.820 0.196 0.000 3.037 235 A HA 0.532 4.867 4.320 0.025 0.000 0.272 235 A C 0.095 177.915 177.584 0.394 0.000 1.723 235 A CA -0.545 51.700 52.037 0.345 0.000 1.413 235 A CB -1.244 17.901 19.000 0.242 0.000 1.112 235 A HN 0.901 nan 8.150 nan 0.000 0.606 236 H N -3.382 115.882 119.070 0.322 0.000 3.037 236 H HA 0.446 5.017 4.556 0.025 0.000 0.336 236 H C -0.276 175.250 175.328 0.330 0.000 1.323 236 H CA -0.711 55.490 56.048 0.256 0.000 1.159 236 H CB 0.182 30.053 29.762 0.182 0.000 1.882 236 H HN 0.086 nan 8.280 nan 0.000 0.535 237 D N 0.329 120.895 120.400 0.277 0.000 2.116 237 D HA -0.218 4.436 4.640 0.025 0.000 0.193 237 D C 2.120 178.481 176.300 0.102 0.000 0.998 237 D CA 3.232 57.334 54.000 0.171 0.000 0.836 237 D CB -0.300 40.581 40.800 0.134 0.000 0.951 237 D HN 0.785 nan 8.370 nan 0.000 0.449 238 T N -1.777 112.825 114.554 0.079 0.000 2.867 238 T HA -0.180 4.185 4.350 0.025 0.000 0.268 238 T C 1.890 176.528 174.700 -0.104 0.000 1.057 238 T CA 0.620 62.737 62.100 0.027 0.000 1.136 238 T CB -0.670 68.259 68.868 0.102 0.000 0.874 238 T HN 0.179 nan 8.240 nan 0.000 0.466 239 F N 0.710 120.347 119.950 -0.523 0.000 2.075 239 F HA 0.090 4.632 4.527 0.024 0.000 0.297 239 F C 1.849 177.405 175.800 -0.407 0.000 1.113 239 F CA 0.746 58.379 58.000 -0.612 0.000 1.218 239 F CB -0.553 37.895 39.000 -0.920 0.000 0.984 239 F HN 0.139 nan 8.300 nan 0.000 0.472 240 W N 0.656 121.917 121.300 -0.064 0.000 2.467 240 W HA -0.091 4.584 4.660 0.025 0.000 0.275 240 W C 2.287 178.739 176.519 -0.111 0.000 1.239 240 W CA 1.061 58.355 57.345 -0.084 0.000 1.266 240 W CB -0.596 28.894 29.460 0.049 0.000 1.112 240 W HN 0.084 nan 8.180 nan 0.000 0.576 241 D N -0.692 119.764 120.400 0.094 0.000 2.097 241 D HA -0.290 4.364 4.640 0.025 0.000 0.195 241 D C 1.875 178.187 176.300 0.020 0.000 0.989 241 D CA 1.475 55.508 54.000 0.055 0.000 0.827 241 D CB -0.485 40.353 40.800 0.062 0.000 0.966 241 D HN 0.197 nan 8.370 nan 0.000 0.456 242 Y N 0.350 120.549 120.300 -0.167 0.000 2.163 242 Y HA -0.165 4.400 4.550 0.025 0.000 0.288 242 Y C 2.275 178.048 175.900 -0.211 0.000 1.136 242 Y CA 1.413 59.401 58.100 -0.187 0.000 1.147 242 Y CB -0.426 37.882 38.460 -0.254 0.000 0.987 242 Y HN -0.124 nan 8.280 nan 0.000 0.509 243 V N 0.290 120.094 119.914 -0.183 0.000 2.282 243 V HA -0.382 3.753 4.120 0.025 0.000 0.249 243 V C 2.632 178.682 176.094 -0.073 0.000 1.057 243 V CA 2.365 64.547 62.300 -0.195 0.000 1.032 243 V CB -1.332 30.281 31.823 -0.351 0.000 0.645 243 V HN 0.679 nan 8.190 nan 0.000 0.447 244 S N -0.280 115.420 115.700 -0.000 0.000 2.419 244 S HA -0.085 4.400 4.470 0.025 0.000 0.233 244 S C 1.684 176.261 174.600 -0.039 0.000 1.016 244 S CA 1.509 59.730 58.200 0.034 0.000 0.974 244 S CB -0.449 62.796 63.200 0.076 0.000 0.786 244 S HN 0.570 nan 8.310 nan 0.000 0.492 245 L N -0.077 121.073 121.223 -0.122 0.000 2.640 245 L HA 0.344 4.699 4.340 0.025 0.000 0.230 245 L C 0.484 177.189 176.870 -0.275 0.000 1.123 245 L CA 0.067 54.807 54.840 -0.166 0.000 0.900 245 L CB 0.092 42.050 42.059 -0.168 0.000 1.146 245 L HN 0.238 nan 8.230 nan 0.000 0.484 246 Q N 0.415 120.010 119.800 -0.340 0.000 3.090 246 Q HA 0.237 4.592 4.340 0.025 0.000 0.241 246 Q C -1.974 173.812 176.000 -0.357 0.000 0.958 246 Q CA -1.408 54.146 55.803 -0.414 0.000 0.715 246 Q CB 1.672 30.041 28.738 -0.615 0.000 1.298 246 Q HN -0.017 nan 8.270 nan 0.000 0.468 247 P HA -0.198 nan 4.420 nan 0.000 0.225 247 P C 1.006 178.015 177.300 -0.485 0.000 1.148 247 P CA 0.991 63.858 63.100 -0.388 0.000 0.779 247 P CB 0.275 31.723 31.700 -0.419 0.000 0.780 248 E N 0.814 120.573 120.200 -0.734 0.000 2.219 248 E HA -0.200 4.165 4.350 0.025 0.000 0.198 248 E C 1.476 178.017 176.600 -0.097 0.000 0.998 248 E CA 1.944 58.147 56.400 -0.329 0.000 0.818 248 E CB -1.385 28.193 29.700 -0.203 0.000 0.741 248 E HN 0.277 nan 8.360 nan 0.000 0.477 249 T N -0.615 113.890 114.554 -0.082 0.000 3.051 249 T HA -0.011 4.354 4.350 0.025 0.000 0.269 249 T C 1.909 176.668 174.700 0.099 0.000 1.127 249 T CA 0.574 62.693 62.100 0.031 0.000 1.107 249 T CB -0.315 68.599 68.868 0.076 0.000 0.898 249 T HN 0.162 nan 8.240 nan 0.000 0.517 250 L N -0.154 121.134 121.223 0.109 0.000 2.141 250 L HA -0.016 4.339 4.340 0.025 0.000 0.209 250 L C 2.833 179.872 176.870 0.283 0.000 1.094 250 L CA 1.493 56.473 54.840 0.233 0.000 0.763 250 L CB -0.742 41.473 42.059 0.259 0.000 0.908 250 L HN 0.461 nan 8.230 nan 0.000 0.437 251 H N 0.127 119.244 119.070 0.078 0.000 2.290 251 H HA -0.213 4.358 4.556 0.025 0.000 0.298 251 H C 2.113 177.441 175.328 -0.000 0.000 1.087 251 H CA 1.865 57.955 56.048 0.070 0.000 1.291 251 H CB 0.245 30.014 29.762 0.010 0.000 1.369 251 H HN 0.370 nan 8.280 nan 0.000 0.492 252 N N -0.188 118.320 118.700 -0.321 0.000 2.331 252 N HA -0.115 4.640 4.740 0.025 0.000 0.180 252 N C 1.923 177.246 175.510 -0.312 0.000 1.019 252 N CA 0.585 53.219 53.050 -0.692 0.000 0.881 252 N CB 0.324 37.894 38.487 -1.529 0.000 0.972 252 N HN 0.111 nan 8.380 nan 0.000 0.435 253 V N 1.663 121.617 119.914 0.066 0.000 2.343 253 V HA -0.255 3.880 4.120 0.025 0.000 0.247 253 V C 2.510 178.734 176.094 0.217 0.000 1.051 253 V CA 1.248 63.741 62.300 0.322 0.000 1.036 253 V CB -0.367 31.696 31.823 0.400 0.000 0.654 253 V HN 0.397 nan 8.190 nan 0.000 0.451 254 M N -1.461 118.305 119.600 0.277 0.000 2.082 254 M HA -0.232 4.262 4.480 0.025 0.000 0.258 254 M C 2.086 178.362 176.300 -0.039 0.000 1.069 254 M CA 1.993 57.455 55.300 0.269 0.000 1.102 254 M CB -1.305 31.482 32.600 0.312 0.000 1.336 254 M HN 0.474 nan 8.290 nan 0.000 0.404 255 W N 0.421 121.437 121.300 -0.473 0.000 2.338 255 W HA -0.136 4.538 4.660 0.025 0.000 0.304 255 W C 2.793 179.233 176.519 -0.132 0.000 1.212 255 W CA 1.967 59.013 57.345 -0.500 0.000 1.264 255 W CB -1.080 28.031 29.460 -0.583 0.000 1.142 255 W HN 0.311 nan 8.180 nan 0.000 0.512 256 A N -0.854 122.046 122.820 0.135 0.000 1.969 256 A HA -0.146 4.189 4.320 0.025 0.000 0.218 256 A C 1.916 179.549 177.584 0.082 0.000 1.169 256 A CA 1.493 53.615 52.037 0.142 0.000 0.635 256 A CB -0.537 18.585 19.000 0.203 0.000 0.810 256 A HN 0.098 nan 8.150 nan 0.000 0.445 257 M N 0.720 120.326 119.600 0.009 0.000 2.492 257 M HA 0.020 4.515 4.480 0.025 0.000 0.262 257 M C 1.412 177.757 176.300 0.076 0.000 1.090 257 M CA 0.735 55.983 55.300 -0.087 0.000 1.110 257 M CB -1.350 30.941 32.600 -0.514 0.000 1.407 257 M HN 0.532 nan 8.290 nan 0.000 0.470 258 S N 0.209 116.012 115.700 0.170 0.000 2.634 258 S HA 0.107 4.592 4.470 0.025 0.000 0.261 258 S C 0.692 175.428 174.600 0.226 0.000 1.271 258 S CA -0.509 57.836 58.200 0.242 0.000 0.985 258 S CB 0.946 64.335 63.200 0.315 0.000 0.968 258 S HN 0.180 nan 8.310 nan 0.000 0.568 259 D N 0.218 120.774 120.400 0.260 0.000 2.378 259 D HA 0.009 4.664 4.640 0.025 0.000 0.222 259 D C 1.826 178.279 176.300 0.255 0.000 0.980 259 D CA 0.312 54.486 54.000 0.289 0.000 0.907 259 D CB -0.158 40.885 40.800 0.406 0.000 0.899 259 D HN 0.375 nan 8.370 nan 0.000 0.527 260 R N 0.270 120.911 120.500 0.235 0.000 2.127 260 R HA -0.072 4.283 4.340 0.025 0.000 0.238 260 R C 2.114 178.573 176.300 0.266 0.000 1.134 260 R CA 1.057 57.319 56.100 0.270 0.000 0.975 260 R CB -0.946 29.573 30.300 0.365 0.000 0.865 260 R HN 0.203 nan 8.270 nan 0.000 0.447 261 G N 1.306 110.250 108.800 0.239 0.000 2.625 261 G HA2 -0.059 3.916 3.960 0.025 0.000 0.214 261 G HA3 -0.059 3.916 3.960 0.025 0.000 0.214 261 G C 1.050 176.094 174.900 0.240 0.000 1.132 261 G CA 0.247 45.480 45.100 0.221 0.000 0.782 261 G HN 0.448 nan 8.290 nan 0.000 0.538 262 I N -2.291 118.432 120.570 0.254 0.000 2.948 262 I HA 0.355 4.540 4.170 0.025 0.000 0.308 262 I C -2.825 173.450 176.117 0.264 0.000 1.478 262 I CA -2.609 58.848 61.300 0.262 0.000 0.843 262 I CB 1.723 39.880 38.000 0.262 0.000 2.100 262 I HN -0.266 nan 8.210 nan 0.000 0.625 263 P HA 0.049 nan 4.420 nan 0.000 0.269 263 P C 0.574 178.025 177.300 0.252 0.000 1.209 263 P CA -0.093 63.123 63.100 0.194 0.000 0.776 263 P CB 1.251 33.000 31.700 0.082 0.000 0.876 264 R N 2.122 122.753 120.500 0.217 0.000 2.115 264 R HA -0.008 4.347 4.340 0.025 0.000 0.230 264 R C 0.423 176.888 176.300 0.274 0.000 1.111 264 R CA 1.484 57.759 56.100 0.291 0.000 0.976 264 R CB -0.372 30.070 30.300 0.238 0.000 0.870 264 R HN 0.554 nan 8.270 nan 0.000 0.445 265 S N -2.753 112.903 115.700 -0.073 0.000 2.565 265 S HA 0.200 4.685 4.470 0.025 0.000 0.274 265 S C -0.363 173.940 174.600 -0.494 0.000 1.144 265 S CA -0.877 57.117 58.200 -0.343 0.000 0.849 265 S CB 0.105 63.227 63.200 -0.130 0.000 1.103 265 S HN 0.112 nan 8.310 nan 0.000 0.455 266 Y N 2.381 122.308 120.300 -0.623 0.000 2.403 266 Y HA 0.042 4.607 4.550 0.025 0.000 0.291 266 Y C 2.344 177.877 175.900 -0.611 0.000 1.143 266 Y CA 1.123 58.723 58.100 -0.833 0.000 1.257 266 Y CB -0.331 37.218 38.460 -1.519 0.000 0.984 266 Y HN 0.571 nan 8.280 nan 0.000 0.550 267 R N -0.568 119.792 120.500 -0.234 0.000 2.235 267 R HA -0.028 4.327 4.340 0.025 0.000 0.213 267 R C 1.062 177.319 176.300 -0.071 0.000 1.059 267 R CA 1.475 57.493 56.100 -0.136 0.000 0.997 267 R CB -0.338 29.878 30.300 -0.141 0.000 0.884 267 R HN 0.334 nan 8.270 nan 0.000 0.462 268 T N -1.916 112.615 114.554 -0.038 0.000 3.355 268 T HA 0.343 4.707 4.350 0.025 0.000 0.276 268 T C 0.166 174.910 174.700 0.073 0.000 1.003 268 T CA -0.685 61.423 62.100 0.013 0.000 0.943 268 T CB -0.063 68.800 68.868 -0.009 0.000 1.158 268 T HN 0.069 nan 8.240 nan 0.000 0.513 269 M N -1.052 118.631 119.600 0.140 0.000 2.644 269 M HA 0.739 5.234 4.480 0.025 0.000 0.304 269 M C -1.101 175.385 176.300 0.310 0.000 1.215 269 M CA -0.874 54.553 55.300 0.211 0.000 0.871 269 M CB 2.129 34.852 32.600 0.205 0.000 1.740 269 M HN -0.146 nan 8.290 nan 0.000 0.464 270 E N 0.467 120.853 120.200 0.310 0.000 2.345 270 E HA 0.619 4.983 4.350 0.025 0.000 0.259 270 E C -0.259 176.445 176.600 0.173 0.000 1.117 270 E CA -0.504 56.019 56.400 0.206 0.000 0.913 270 E CB 1.593 31.340 29.700 0.078 0.000 1.057 270 E HN 0.854 nan 8.360 nan 0.000 0.432 271 G N 0.851 109.595 108.800 -0.093 0.000 2.481 271 G HA2 0.635 4.610 3.960 0.025 0.000 0.315 271 G HA3 0.635 4.610 3.960 0.025 0.000 0.315 271 G C -1.404 173.094 174.900 -0.670 0.000 1.231 271 G CA -0.430 44.590 45.100 -0.133 0.000 0.968 271 G HN 0.292 nan 8.290 nan 0.000 0.482 272 F N -0.587 119.307 119.950 -0.093 0.000 2.619 272 F HA 0.497 5.039 4.527 0.024 0.000 0.308 272 F C 0.949 176.652 175.800 -0.162 0.000 1.097 272 F CA -0.642 57.219 58.000 -0.232 0.000 0.953 272 F CB 2.612 41.429 39.000 -0.305 0.000 1.287 272 F HN 0.599 nan 8.300 nan 0.000 0.446 273 G N -0.424 108.426 108.800 0.082 0.000 2.985 273 G HA2 0.242 4.217 3.960 0.025 0.000 0.209 273 G HA3 0.242 4.217 3.960 0.025 0.000 0.209 273 G C 0.676 175.647 174.900 0.118 0.000 1.165 273 G CA 0.580 45.780 45.100 0.167 0.000 0.776 273 G HN 1.006 nan 8.290 nan 0.000 0.541 274 C N -1.158 118.102 119.300 -0.066 0.000 5.885 274 C HA -0.173 4.302 4.460 0.025 0.000 0.328 274 C C 0.814 175.545 174.990 -0.432 0.000 2.430 274 C CA 0.791 59.601 59.018 -0.347 0.000 2.194 274 C CB -1.879 25.517 27.740 -0.573 0.000 3.233 274 C HN 0.594 nan 8.230 nan 0.000 0.263 275 H N 0.282 119.379 119.070 0.046 0.000 2.616 275 H HA 0.467 5.038 4.556 0.025 0.000 0.353 275 H C -0.090 175.195 175.328 -0.072 0.000 1.170 275 H CA 0.122 56.111 56.048 -0.097 0.000 1.212 275 H CB 0.791 30.351 29.762 -0.337 0.000 1.653 275 H HN 0.346 nan 8.280 nan 0.000 0.537 276 T N 3.044 117.581 114.554 -0.027 0.000 2.799 276 T HA 0.174 4.539 4.350 0.025 0.000 0.296 276 T C 0.218 174.857 174.700 -0.102 0.000 0.947 276 T CA 0.303 62.369 62.100 -0.056 0.000 1.141 276 T CB -0.361 68.423 68.868 -0.140 0.000 0.891 276 T HN 0.210 nan 8.240 nan 0.000 0.533 277 F N 1.292 121.189 119.950 -0.089 0.000 2.629 277 F HA 0.650 5.192 4.527 0.024 0.000 0.386 277 F C 1.088 176.839 175.800 -0.082 0.000 1.135 277 F CA -1.350 56.623 58.000 -0.045 0.000 1.116 277 F CB 1.329 40.286 39.000 -0.072 0.000 1.426 277 F HN 0.204 nan 8.300 nan 0.000 0.501 278 R N 0.502 121.055 120.500 0.089 0.000 2.740 278 R HA 0.639 4.994 4.340 0.025 0.000 0.282 278 R C -1.575 174.613 176.300 -0.186 0.000 0.969 278 R CA -0.863 55.157 56.100 -0.132 0.000 0.918 278 R CB 1.890 32.041 30.300 -0.248 0.000 1.175 278 R HN 0.419 nan 8.270 nan 0.000 0.464 279 L N 3.314 124.381 121.223 -0.260 0.000 2.322 279 L HA 0.536 4.891 4.340 0.025 0.000 0.279 279 L C -0.407 176.309 176.870 -0.257 0.000 1.036 279 L CA -0.914 53.781 54.840 -0.243 0.000 0.807 279 L CB 1.205 43.126 42.059 -0.230 0.000 1.226 279 L HN 0.354 nan 8.230 nan 0.000 0.433 280 I N 2.389 122.831 120.570 -0.213 0.000 2.436 280 I HA 0.293 4.478 4.170 0.025 0.000 0.289 280 I C -0.322 175.711 176.117 -0.141 0.000 1.010 280 I CA -0.689 60.491 61.300 -0.201 0.000 1.098 280 I CB 1.515 39.405 38.000 -0.183 0.000 1.266 280 I HN 0.636 nan 8.210 nan 0.000 0.434 281 N N 4.667 123.297 118.700 -0.116 0.000 2.491 281 N HA 0.407 5.162 4.740 0.025 0.000 0.279 281 N C 0.797 176.268 175.510 -0.065 0.000 1.236 281 N CA -0.392 52.609 53.050 -0.082 0.000 0.982 281 N CB 0.580 39.027 38.487 -0.067 0.000 1.194 281 N HN 0.528 nan 8.380 nan 0.000 0.582 282 A N -0.584 122.206 122.820 -0.050 0.000 2.019 282 A HA -0.120 4.215 4.320 0.025 0.000 0.219 282 A C 1.461 179.025 177.584 -0.033 0.000 1.164 282 A CA 1.381 53.394 52.037 -0.040 0.000 0.644 282 A CB -0.746 18.236 19.000 -0.029 0.000 0.805 282 A HN 0.743 nan 8.150 nan 0.000 0.449 283 E N -1.545 118.636 120.200 -0.031 0.000 2.481 283 E HA 0.288 4.653 4.350 0.025 0.000 0.195 283 E C 1.228 177.818 176.600 -0.017 0.000 1.047 283 E CA 0.780 57.166 56.400 -0.022 0.000 0.867 283 E CB -0.043 29.644 29.700 -0.020 0.000 0.858 283 E HN 0.738 nan 8.360 nan 0.000 0.513 284 G N 1.113 109.900 108.800 -0.021 0.000 2.157 284 G HA2 -0.339 3.635 3.960 0.025 0.000 0.239 284 G HA3 -0.339 3.635 3.960 0.025 0.000 0.239 284 G C 0.265 175.186 174.900 0.035 0.000 0.982 284 G CA 0.214 45.321 45.100 0.012 0.000 0.650 284 G HN 0.264 nan 8.290 nan 0.000 0.527 285 K N 0.817 121.199 120.400 -0.029 0.000 2.322 285 K HA 0.666 5.000 4.320 0.025 0.000 0.283 285 K C 0.555 177.030 176.600 -0.208 0.000 1.042 285 K CA 0.196 56.442 56.287 -0.069 0.000 0.958 285 K CB 0.606 33.064 32.500 -0.070 0.000 0.984 285 K HN 0.598 nan 8.250 nan 0.000 0.473 286 A N 3.425 126.013 122.820 -0.387 0.000 2.301 286 A HA 0.425 4.759 4.320 0.025 0.000 0.312 286 A C -0.772 176.498 177.584 -0.523 0.000 1.182 286 A CA -0.531 51.103 52.037 -0.671 0.000 0.826 286 A CB 1.122 19.276 19.000 -1.410 0.000 1.134 286 A HN 0.735 nan 8.150 nan 0.000 0.501 287 T N 2.284 116.572 114.554 -0.443 0.000 2.841 287 T HA 0.543 4.908 4.350 0.025 0.000 0.283 287 T C -0.624 173.862 174.700 -0.356 0.000 1.000 287 T CA -0.095 61.796 62.100 -0.348 0.000 0.977 287 T CB 0.507 69.266 68.868 -0.182 0.000 0.979 287 T HN 0.337 nan 8.240 nan 0.000 0.446 288 F N 2.012 121.865 119.950 -0.160 0.000 2.429 288 F HA 0.519 5.061 4.527 0.024 0.000 0.348 288 F C 0.556 176.238 175.800 -0.197 0.000 1.109 288 F CA -0.439 57.462 58.000 -0.166 0.000 1.232 288 F CB 0.721 39.643 39.000 -0.130 0.000 1.157 288 F HN 0.194 nan 8.300 nan 0.000 0.564 289 V N 4.839 124.710 119.914 -0.072 0.000 2.760 289 V HA 0.592 4.727 4.120 0.025 0.000 0.309 289 V C -0.938 174.923 176.094 -0.388 0.000 1.077 289 V CA -0.759 61.348 62.300 -0.320 0.000 0.910 289 V CB 1.983 33.395 31.823 -0.685 0.000 1.008 289 V HN 0.769 nan 8.190 nan 0.000 0.424 290 R N 4.723 125.051 120.500 -0.287 0.000 2.589 290 R HA 0.576 4.931 4.340 0.025 0.000 0.293 290 R C -1.588 174.610 176.300 -0.171 0.000 0.963 290 R CA -0.459 55.493 56.100 -0.248 0.000 0.905 290 R CB 2.020 32.311 30.300 -0.014 0.000 1.144 290 R HN 0.600 nan 8.270 nan 0.000 0.459 291 F N 1.725 121.705 119.950 0.051 0.000 2.399 291 F HA 0.383 4.925 4.527 0.025 0.000 0.334 291 F C 0.921 176.663 175.800 -0.097 0.000 1.097 291 F CA -0.192 57.810 58.000 0.004 0.000 1.076 291 F CB 0.981 39.868 39.000 -0.189 0.000 1.162 291 F HN 0.203 nan 8.300 nan 0.000 0.495 292 H N 0.667 119.731 119.070 -0.010 0.000 2.768 292 H HA 0.251 4.822 4.556 0.025 0.000 0.371 292 H C -1.560 173.527 175.328 -0.402 0.000 1.151 292 H CA -0.971 54.960 56.048 -0.196 0.000 1.165 292 H CB 1.991 31.724 29.762 -0.048 0.000 1.722 292 H HN 0.663 nan 8.280 nan 0.000 0.543 293 W N 2.239 123.423 121.300 -0.194 0.000 2.532 293 W HA 0.320 4.995 4.660 0.025 0.000 0.321 293 W C -0.107 176.446 176.519 0.056 0.000 1.037 293 W CA -0.774 56.528 57.345 -0.071 0.000 1.220 293 W CB 1.763 31.034 29.460 -0.315 0.000 1.361 293 W HN 0.308 nan 8.180 nan 0.000 0.468 294 K N 5.666 126.339 120.400 0.456 0.000 2.213 294 K HA 0.407 4.742 4.320 0.025 0.000 0.270 294 K C -2.426 174.407 176.600 0.389 0.000 1.002 294 K CA -1.845 54.645 56.287 0.339 0.000 0.868 294 K CB 1.410 34.060 32.500 0.249 0.000 1.093 294 K HN 0.046 nan 8.250 nan 0.000 0.454 295 P HA 0.067 nan 4.420 nan 0.000 0.282 295 P C 0.300 177.612 177.300 0.019 0.000 1.274 295 P CA -0.161 63.015 63.100 0.128 0.000 0.770 295 P CB 0.886 32.667 31.700 0.135 0.000 0.867 296 L N 2.713 123.890 121.223 -0.077 0.000 2.376 296 L HA -0.067 4.288 4.340 0.025 0.000 0.219 296 L C 2.222 179.074 176.870 -0.031 0.000 1.133 296 L CA 1.042 55.872 54.840 -0.017 0.000 0.816 296 L CB -0.597 41.460 42.059 -0.003 0.000 0.933 296 L HN 0.347 nan 8.230 nan 0.000 0.449 297 A N 0.075 122.847 122.820 -0.080 0.000 2.235 297 A HA 0.395 4.730 4.320 0.025 0.000 0.208 297 A C 1.248 178.828 177.584 -0.006 0.000 1.172 297 A CA 0.715 52.723 52.037 -0.049 0.000 0.786 297 A CB -0.438 18.513 19.000 -0.081 0.000 0.804 297 A HN 0.457 nan 8.150 nan 0.000 0.479 298 G N -0.782 108.029 108.800 0.019 0.000 2.707 298 G HA2 -0.100 3.875 3.960 0.025 0.000 0.686 298 G HA3 -0.100 3.875 3.960 0.025 0.000 0.686 298 G C -0.719 174.210 174.900 0.049 0.000 1.315 298 G CA -0.491 44.638 45.100 0.048 0.000 0.832 298 G HN 0.445 nan 8.290 nan 0.000 0.573 299 K N 0.143 120.577 120.400 0.056 0.000 2.183 299 K HA 0.740 5.075 4.320 0.025 0.000 0.274 299 K C 0.211 176.805 176.600 -0.010 0.000 1.009 299 K CA 0.169 56.474 56.287 0.031 0.000 0.888 299 K CB 1.839 34.345 32.500 0.010 0.000 1.078 299 K HN 1.425 nan 8.250 nan 0.000 0.459 300 A N 1.735 124.540 122.820 -0.025 0.000 2.547 300 A HA 0.629 4.964 4.320 0.025 0.000 0.297 300 A C -1.124 176.511 177.584 0.085 0.000 1.056 300 A CA -0.676 51.303 52.037 -0.095 0.000 0.688 300 A CB 1.756 20.495 19.000 -0.435 0.000 1.282 300 A HN 0.514 nan 8.150 nan 0.000 0.400 301 S N 0.461 116.373 115.700 0.352 0.000 2.632 301 S HA 0.744 5.229 4.470 0.025 0.000 0.289 301 S C -0.120 174.815 174.600 0.557 0.000 1.115 301 S CA -0.602 57.847 58.200 0.415 0.000 0.889 301 S CB 1.199 64.629 63.200 0.384 0.000 1.116 301 S HN 0.645 nan 8.310 nan 0.000 0.486 302 L N 1.369 122.804 121.223 0.354 0.000 2.482 302 L HA 0.535 4.890 4.340 0.025 0.000 0.242 302 L C 0.123 177.115 176.870 0.202 0.000 1.210 302 L CA -0.737 54.229 54.840 0.210 0.000 0.819 302 L CB 0.175 42.263 42.059 0.048 0.000 1.203 302 L HN 0.499 nan 8.230 nan 0.000 0.495 303 V N -3.058 116.866 119.914 0.018 0.000 2.850 303 V HA 0.195 4.330 4.120 0.025 0.000 0.315 303 V C 0.663 176.696 176.094 -0.102 0.000 1.064 303 V CA -0.781 61.502 62.300 -0.030 0.000 0.979 303 V CB 1.655 33.434 31.823 -0.074 0.000 1.039 303 V HN 0.946 nan 8.190 nan 0.000 0.452 304 W N 1.685 122.848 121.300 -0.229 0.000 2.333 304 W HA -0.210 4.465 4.660 0.024 0.000 0.316 304 W C 1.822 178.180 176.519 -0.268 0.000 1.215 304 W CA 2.535 59.740 57.345 -0.234 0.000 1.278 304 W CB -0.138 29.167 29.460 -0.259 0.000 1.154 304 W HN 0.998 nan 8.180 nan 0.000 0.486 305 D N 0.277 120.383 120.400 -0.492 0.000 2.149 305 D HA -0.291 4.364 4.640 0.025 0.000 0.198 305 D C 2.126 178.063 176.300 -0.605 0.000 0.990 305 D CA 2.081 55.756 54.000 -0.543 0.000 0.839 305 D CB -0.461 40.281 40.800 -0.098 0.000 0.948 305 D HN 0.395 nan 8.370 nan 0.000 0.460 306 E N -0.381 119.347 120.200 -0.786 0.000 2.047 306 E HA -0.184 4.181 4.350 0.025 0.000 0.191 306 E C 2.047 178.292 176.600 -0.591 0.000 0.987 306 E CA 1.002 56.864 56.400 -0.897 0.000 0.799 306 E CB -0.231 28.793 29.700 -1.126 0.000 0.752 306 E HN 0.300 nan 8.360 nan 0.000 0.449 307 A N 1.267 123.762 122.820 -0.541 0.000 1.883 307 A HA -0.269 4.065 4.320 0.025 0.000 0.217 307 A C 2.195 179.440 177.584 -0.566 0.000 1.186 307 A CA 1.873 53.642 52.037 -0.446 0.000 0.624 307 A CB -0.746 18.114 19.000 -0.233 0.000 0.822 307 A HN 0.449 nan 8.150 nan 0.000 0.444 308 Q N -0.627 118.603 119.800 -0.949 0.000 2.079 308 Q HA -0.182 4.173 4.340 0.025 0.000 0.200 308 Q C 2.186 177.897 176.000 -0.481 0.000 0.974 308 Q CA 1.787 57.056 55.803 -0.889 0.000 0.840 308 Q CB -0.133 27.761 28.738 -1.407 0.000 0.898 308 Q HN 0.672 nan 8.270 nan 0.000 0.430 309 K N 0.019 120.157 120.400 -0.437 0.000 2.097 309 K HA -0.143 4.192 4.320 0.025 0.000 0.205 309 K C 2.069 178.525 176.600 -0.240 0.000 1.050 309 K CA 0.695 56.824 56.287 -0.264 0.000 0.938 309 K CB -0.048 32.340 32.500 -0.186 0.000 0.718 309 K HN 0.166 nan 8.250 nan 0.000 0.442 310 L N 1.469 122.506 121.223 -0.309 0.000 2.191 310 L HA -0.144 4.211 4.340 0.025 0.000 0.212 310 L C 2.194 178.928 176.870 -0.227 0.000 1.103 310 L CA 2.168 56.825 54.840 -0.305 0.000 0.769 310 L CB -0.963 40.825 42.059 -0.452 0.000 0.908 310 L HN 0.329 nan 8.230 nan 0.000 0.438 311 T N -4.366 110.059 114.554 -0.215 0.000 2.881 311 T HA -0.073 4.292 4.350 0.025 0.000 0.270 311 T C 1.828 176.467 174.700 -0.103 0.000 1.068 311 T CA 1.019 63.036 62.100 -0.138 0.000 1.131 311 T CB -0.919 67.881 68.868 -0.114 0.000 0.871 311 T HN 0.387 nan 8.240 nan 0.000 0.479 312 G N 0.986 109.718 108.800 -0.114 0.000 2.437 312 G HA2 0.025 4.000 3.960 0.025 0.000 0.212 312 G HA3 0.025 4.000 3.960 0.025 0.000 0.212 312 G C 1.903 176.762 174.900 -0.070 0.000 1.174 312 G CA -0.295 44.756 45.100 -0.082 0.000 0.811 312 G HN 0.289 nan 8.290 nan 0.000 0.537 313 R N 0.308 120.757 120.500 -0.085 0.000 2.090 313 R HA 0.040 4.395 4.340 0.025 0.000 0.228 313 R C -0.135 176.141 176.300 -0.040 0.000 1.110 313 R CA 0.837 56.901 56.100 -0.061 0.000 0.973 313 R CB -0.220 30.035 30.300 -0.075 0.000 0.869 313 R HN 0.337 nan 8.270 nan 0.000 0.440 314 D N -0.390 119.981 120.400 -0.048 0.000 2.411 314 D HA 0.143 4.798 4.640 0.025 0.000 0.239 314 D C -2.098 174.205 176.300 0.005 0.000 1.307 314 D CA -1.833 52.171 54.000 0.007 0.000 0.930 314 D CB 1.356 42.210 40.800 0.090 0.000 1.395 314 D HN -0.133 nan 8.370 nan 0.000 0.536 315 P HA -0.008 nan 4.420 nan 0.000 0.228 315 P C 0.060 177.365 177.300 0.008 0.000 1.151 315 P CA 0.615 63.704 63.100 -0.019 0.000 0.770 315 P CB 0.498 32.184 31.700 -0.022 0.000 0.786 316 D N -1.323 119.092 120.400 0.025 0.000 2.427 316 D HA 0.060 4.715 4.640 0.025 0.000 0.224 316 D C 1.210 177.542 176.300 0.053 0.000 1.157 316 D CA -0.389 53.629 54.000 0.031 0.000 0.828 316 D CB -0.574 40.222 40.800 -0.008 0.000 0.974 316 D HN 0.137 nan 8.370 nan 0.000 0.498 317 F N 1.195 121.081 119.950 -0.106 0.000 2.134 317 F HA -0.214 4.328 4.527 0.025 0.000 0.299 317 F C 2.015 177.777 175.800 -0.063 0.000 1.097 317 F CA 1.831 59.762 58.000 -0.114 0.000 1.264 317 F CB 0.052 38.935 39.000 -0.196 0.000 1.001 317 F HN 0.096 nan 8.300 nan 0.000 0.479 318 H N -1.191 117.799 119.070 -0.133 0.000 2.395 318 H HA -0.045 4.525 4.556 0.024 0.000 0.299 318 H C 2.364 177.578 175.328 -0.190 0.000 1.070 318 H CA 0.815 56.633 56.048 -0.383 0.000 1.356 318 H CB -0.101 29.252 29.762 -0.683 0.000 1.401 318 H HN 0.170 nan 8.280 nan 0.000 0.524 319 R N 1.287 121.874 120.500 0.145 0.000 2.081 319 R HA -0.141 4.214 4.340 0.025 0.000 0.235 319 R C 2.435 178.829 176.300 0.157 0.000 1.131 319 R CA 1.345 57.585 56.100 0.233 0.000 0.960 319 R CB -0.031 30.389 30.300 0.201 0.000 0.856 319 R HN 0.200 nan 8.270 nan 0.000 0.436 320 R N 0.372 120.883 120.500 0.019 0.000 2.073 320 R HA -0.155 4.200 4.340 0.025 0.000 0.234 320 R C 2.177 178.458 176.300 -0.033 0.000 1.134 320 R CA 1.753 57.842 56.100 -0.019 0.000 0.952 320 R CB -0.269 29.981 30.300 -0.082 0.000 0.850 320 R HN 0.270 nan 8.270 nan 0.000 0.433 321 E N 0.604 120.671 120.200 -0.222 0.000 2.077 321 E HA -0.208 4.157 4.350 0.025 0.000 0.193 321 E C 2.003 178.566 176.600 -0.063 0.000 0.989 321 E CA 1.126 57.378 56.400 -0.248 0.000 0.800 321 E CB -0.075 29.307 29.700 -0.530 0.000 0.746 321 E HN 0.243 nan 8.360 nan 0.000 0.452 322 L N 0.845 122.077 121.223 0.015 0.000 2.017 322 L HA -0.153 4.202 4.340 0.025 0.000 0.208 322 L C 2.191 179.160 176.870 0.166 0.000 1.073 322 L CA 1.817 56.716 54.840 0.099 0.000 0.745 322 L CB -0.992 41.192 42.059 0.208 0.000 0.894 322 L HN 0.324 nan 8.230 nan 0.000 0.432 323 W N 0.894 122.225 121.300 0.051 0.000 2.355 323 W HA -0.201 4.474 4.660 0.024 0.000 0.309 323 W C 2.173 178.718 176.519 0.044 0.000 1.206 323 W CA 2.100 59.489 57.345 0.074 0.000 1.284 323 W CB -0.087 29.419 29.460 0.076 0.000 1.145 323 W HN 0.353 nan 8.180 nan 0.000 0.502 324 E N -0.068 120.303 120.200 0.284 0.000 2.208 324 E HA -0.102 4.263 4.350 0.025 0.000 0.193 324 E C 2.333 178.953 176.600 0.033 0.000 0.988 324 E CA 0.875 57.360 56.400 0.142 0.000 0.828 324 E CB -0.279 29.457 29.700 0.060 0.000 0.763 324 E HN 0.176 nan 8.360 nan 0.000 0.478 325 A N 1.430 124.268 122.820 0.030 0.000 1.877 325 A HA -0.174 4.161 4.320 0.025 0.000 0.216 325 A C 2.167 179.765 177.584 0.022 0.000 1.186 325 A CA 1.061 53.107 52.037 0.015 0.000 0.620 325 A CB -0.544 18.469 19.000 0.022 0.000 0.822 325 A HN 0.124 nan 8.150 nan 0.000 0.443 326 I N -0.388 120.221 120.570 0.065 0.000 2.226 326 I HA -0.245 3.940 4.170 0.025 0.000 0.245 326 I C 2.460 178.640 176.117 0.105 0.000 1.100 326 I CA 1.470 62.861 61.300 0.151 0.000 1.374 326 I CB -0.435 37.597 38.000 0.053 0.000 1.057 326 I HN 0.425 nan 8.210 nan 0.000 0.413 327 E N 0.852 121.062 120.200 0.017 0.000 2.153 327 E HA -0.197 4.167 4.350 0.025 0.000 0.194 327 E C 2.149 178.757 176.600 0.014 0.000 0.988 327 E CA 1.256 57.679 56.400 0.038 0.000 0.811 327 E CB -0.126 29.629 29.700 0.091 0.000 0.746 327 E HN 0.515 nan 8.360 nan 0.000 0.466 328 A N 0.140 122.941 122.820 -0.031 0.000 2.208 328 A HA 0.191 4.526 4.320 0.025 0.000 0.209 328 A C 1.825 179.322 177.584 -0.145 0.000 1.161 328 A CA 0.965 52.964 52.037 -0.063 0.000 0.782 328 A CB -0.215 18.740 19.000 -0.075 0.000 0.816 328 A HN 0.346 nan 8.150 nan 0.000 0.477 329 G N -0.408 108.200 108.800 -0.320 0.000 2.179 329 G HA2 -0.222 3.753 3.960 0.025 0.000 0.260 329 G HA3 -0.222 3.753 3.960 0.025 0.000 0.260 329 G C -0.139 174.215 174.900 -0.911 0.000 0.977 329 G CA 0.285 44.851 45.100 -0.890 0.000 0.641 329 G HN 0.471 nan 8.290 nan 0.000 0.533 330 D N 1.036 121.189 120.400 -0.411 0.000 2.801 330 D HA 0.264 4.919 4.640 0.025 0.000 0.232 330 D C 0.816 177.027 176.300 -0.147 0.000 1.128 330 D CA -0.099 53.767 54.000 -0.223 0.000 1.003 330 D CB -0.773 40.005 40.800 -0.035 0.000 1.110 330 D HN 0.434 nan 8.370 nan 0.000 0.477 331 F N 1.427 121.382 119.950 0.008 0.000 2.602 331 F HA 0.061 4.603 4.527 0.025 0.000 0.385 331 F C -1.321 174.454 175.800 -0.042 0.000 1.063 331 F CA -1.851 56.146 58.000 -0.005 0.000 1.233 331 F CB -0.076 38.933 39.000 0.015 0.000 1.067 331 F HN -0.064 nan 8.300 nan 0.000 0.564 332 P HA 0.018 nan 4.420 nan 0.000 0.262 332 P C -1.008 176.247 177.300 -0.074 0.000 1.199 332 P CA 0.395 63.486 63.100 -0.015 0.000 0.763 332 P CB 0.415 32.187 31.700 0.119 0.000 0.790 333 E N 2.462 122.484 120.200 -0.296 0.000 2.238 333 E HA 0.486 4.851 4.350 0.025 0.000 0.267 333 E C -1.020 175.321 176.600 -0.431 0.000 0.887 333 E CA -0.566 55.718 56.400 -0.193 0.000 0.769 333 E CB 1.434 31.104 29.700 -0.050 0.000 1.187 333 E HN 0.384 nan 8.360 nan 0.000 0.416 334 Y N 0.264 120.643 120.300 0.132 0.000 2.504 334 Y HA 0.237 4.802 4.550 0.025 0.000 0.344 334 Y C -0.363 175.779 175.900 0.403 0.000 1.023 334 Y CA -0.965 57.289 58.100 0.256 0.000 1.020 334 Y CB 2.044 40.627 38.460 0.206 0.000 1.282 334 Y HN 0.450 nan 8.280 nan 0.000 0.454 335 E N 2.792 123.338 120.200 0.576 0.000 2.134 335 E HA 0.383 4.748 4.350 0.025 0.000 0.278 335 E C -1.475 175.413 176.600 0.480 0.000 0.959 335 E CA -0.971 55.718 56.400 0.482 0.000 0.783 335 E CB 1.049 30.960 29.700 0.351 0.000 1.095 335 E HN 0.589 nan 8.360 nan 0.000 0.399 336 L N 4.360 125.790 121.223 0.344 0.000 2.410 336 L HA 0.473 4.828 4.340 0.025 0.000 0.273 336 L C -0.062 176.749 176.870 -0.099 0.000 1.152 336 L CA 0.680 55.420 54.840 -0.166 0.000 0.855 336 L CB 0.971 42.895 42.059 -0.226 0.000 1.129 336 L HN 0.582 nan 8.230 nan 0.000 0.463 337 G N 4.512 113.262 108.800 -0.083 0.000 2.612 337 G HA2 0.559 4.534 3.960 0.025 0.000 0.298 337 G HA3 0.559 4.534 3.960 0.025 0.000 0.298 337 G C -1.605 173.432 174.900 0.229 0.000 1.336 337 G CA -0.525 44.562 45.100 -0.020 0.000 0.953 337 G HN 0.462 nan 8.290 nan 0.000 0.482 338 F N 0.265 120.231 119.950 0.026 0.000 2.507 338 F HA 0.381 4.923 4.527 0.025 0.000 0.325 338 F C 0.426 176.215 175.800 -0.018 0.000 1.116 338 F CA -0.980 57.038 58.000 0.030 0.000 0.930 338 F CB 2.549 41.555 39.000 0.011 0.000 1.146 338 F HN 0.142 nan 8.300 nan 0.000 0.447 339 Q N 4.214 124.127 119.800 0.188 0.000 2.294 339 Q HA 0.463 4.818 4.340 0.025 0.000 0.257 339 Q C -1.009 175.036 176.000 0.075 0.000 0.955 339 Q CA -0.358 55.502 55.803 0.094 0.000 0.936 339 Q CB 1.881 30.676 28.738 0.095 0.000 1.188 339 Q HN 0.529 nan 8.270 nan 0.000 0.420 340 L N 4.677 125.952 121.223 0.086 0.000 2.313 340 L HA 0.588 4.943 4.340 0.025 0.000 0.283 340 L C -0.607 176.317 176.870 0.089 0.000 1.013 340 L CA -0.578 54.303 54.840 0.068 0.000 0.816 340 L CB 1.252 43.361 42.059 0.084 0.000 1.236 340 L HN 0.519 nan 8.230 nan 0.000 0.419 341 I N 4.391 125.030 120.570 0.115 0.000 2.466 341 I HA 0.376 4.561 4.170 0.025 0.000 0.289 341 I C -2.356 173.874 176.117 0.189 0.000 1.026 341 I CA -2.056 59.353 61.300 0.182 0.000 1.078 341 I CB 2.521 40.650 38.000 0.215 0.000 1.249 341 I HN 0.285 nan 8.210 nan 0.000 0.429 342 P HA 0.085 nan 4.420 nan 0.000 0.272 342 P C 0.596 177.953 177.300 0.095 0.000 1.223 342 P CA -0.166 62.966 63.100 0.054 0.000 0.784 342 P CB 0.867 32.593 31.700 0.044 0.000 0.923 343 E N 1.215 121.380 120.200 -0.060 0.000 2.114 343 E HA -0.296 4.069 4.350 0.025 0.000 0.199 343 E C 1.012 177.684 176.600 0.119 0.000 1.008 343 E CA 1.655 58.019 56.400 -0.060 0.000 0.810 343 E CB -0.009 29.599 29.700 -0.153 0.000 0.739 343 E HN 0.463 nan 8.360 nan 0.000 0.456 344 E N 0.409 120.658 120.200 0.081 0.000 2.338 344 E HA -0.133 4.232 4.350 0.025 0.000 0.197 344 E C 0.705 177.364 176.600 0.098 0.000 1.007 344 E CA 1.038 57.494 56.400 0.093 0.000 0.849 344 E CB 0.083 29.819 29.700 0.059 0.000 0.774 344 E HN 0.236 nan 8.360 nan 0.000 0.506 345 D N -0.105 120.358 120.400 0.104 0.000 2.368 345 D HA -0.002 4.653 4.640 0.025 0.000 0.218 345 D C 1.124 177.456 176.300 0.054 0.000 1.112 345 D CA 0.034 54.073 54.000 0.065 0.000 0.834 345 D CB 0.065 40.917 40.800 0.087 0.000 0.953 345 D HN 0.252 nan 8.370 nan 0.000 0.505 346 E N -0.257 119.936 120.200 -0.011 0.000 2.130 346 E HA -0.195 4.170 4.350 0.025 0.000 0.196 346 E C 0.480 176.762 176.600 -0.530 0.000 0.998 346 E CA 1.119 57.295 56.400 -0.373 0.000 0.806 346 E CB 0.036 29.331 29.700 -0.674 0.000 0.738 346 E HN 0.282 nan 8.360 nan 0.000 0.459 347 F N -0.559 119.406 119.950 0.024 0.000 2.639 347 F HA 0.269 4.811 4.527 0.025 0.000 0.302 347 F C 1.199 176.942 175.800 -0.095 0.000 1.097 347 F CA -0.298 57.690 58.000 -0.021 0.000 1.294 347 F CB 0.657 39.651 39.000 -0.011 0.000 1.027 347 F HN -0.195 nan 8.300 nan 0.000 0.550 348 K N 0.176 120.515 120.400 -0.103 0.000 2.458 348 K HA 0.151 4.486 4.320 0.025 0.000 0.194 348 K C -0.411 175.793 176.600 -0.661 0.000 1.024 348 K CA 0.278 56.343 56.287 -0.369 0.000 1.108 348 K CB 0.168 32.383 32.500 -0.476 0.000 0.846 348 K HN 0.142 nan 8.250 nan 0.000 0.518 349 F N -0.139 119.658 119.950 -0.256 0.000 2.541 349 F HA 0.166 4.708 4.527 0.025 0.000 0.331 349 F C 1.234 176.826 175.800 -0.346 0.000 1.057 349 F CA -1.038 56.695 58.000 -0.444 0.000 0.975 349 F CB 1.034 39.393 39.000 -1.069 0.000 1.246 349 F HN -0.200 nan 8.300 nan 0.000 0.484 350 D N 0.530 120.912 120.400 -0.029 0.000 2.264 350 D HA -0.054 4.600 4.640 0.025 0.000 0.208 350 D C -0.089 176.287 176.300 0.126 0.000 0.966 350 D CA 1.265 55.321 54.000 0.094 0.000 0.864 350 D CB -0.170 40.772 40.800 0.236 0.000 0.933 350 D HN 0.252 nan 8.370 nan 0.000 0.499 351 F N -0.898 119.134 119.950 0.137 0.000 2.575 351 F HA 0.476 5.018 4.527 0.025 0.000 0.330 351 F C 0.071 175.857 175.800 -0.023 0.000 1.056 351 F CA -1.622 56.379 58.000 0.001 0.000 0.964 351 F CB 0.761 39.717 39.000 -0.074 0.000 1.258 351 F HN -0.400 nan 8.300 nan 0.000 0.484 352 D N 1.782 122.203 120.400 0.035 0.000 2.312 352 D HA 0.170 4.825 4.640 0.025 0.000 0.252 352 D C 1.027 177.274 176.300 -0.089 0.000 1.150 352 D CA 0.001 53.970 54.000 -0.051 0.000 0.870 352 D CB 1.378 42.160 40.800 -0.030 0.000 1.153 352 D HN 0.744 nan 8.370 nan 0.000 0.457 353 L N 3.447 124.558 121.223 -0.187 0.000 2.261 353 L HA -0.146 4.208 4.340 0.025 0.000 0.216 353 L C 1.912 178.650 176.870 -0.221 0.000 1.114 353 L CA 0.742 55.442 54.840 -0.233 0.000 0.777 353 L CB -0.094 41.674 42.059 -0.484 0.000 0.910 353 L HN 0.456 nan 8.230 nan 0.000 0.440 354 L N -1.134 119.982 121.223 -0.178 0.000 2.592 354 L HA 0.084 4.438 4.340 0.025 0.000 0.227 354 L C 0.395 177.193 176.870 -0.119 0.000 1.127 354 L CA -0.182 54.618 54.840 -0.067 0.000 0.884 354 L CB -0.239 41.885 42.059 0.108 0.000 1.065 354 L HN 0.063 nan 8.230 nan 0.000 0.457 355 D N 1.861 121.961 120.400 -0.500 0.000 2.347 355 D HA 0.120 4.775 4.640 0.025 0.000 0.235 355 D C -1.554 174.530 176.300 -0.360 0.000 1.149 355 D CA -2.222 51.247 54.000 -0.885 0.000 0.850 355 D CB 1.651 41.738 40.800 -1.188 0.000 1.061 355 D HN -0.070 nan 8.370 nan 0.000 0.487 356 P HA -0.037 nan 4.420 nan 0.000 0.245 356 P C 0.831 178.041 177.300 -0.150 0.000 1.212 356 P CA 0.539 63.576 63.100 -0.105 0.000 0.774 356 P CB -0.018 31.711 31.700 0.048 0.000 0.999 357 T N -4.227 110.229 114.554 -0.164 0.000 3.129 357 T HA 0.137 4.502 4.350 0.025 0.000 0.251 357 T C 0.753 175.362 174.700 -0.151 0.000 1.117 357 T CA -0.019 61.992 62.100 -0.148 0.000 1.034 357 T CB -0.228 68.598 68.868 -0.070 0.000 0.968 357 T HN -0.123 nan 8.240 nan 0.000 0.526 358 K N 2.017 122.235 120.400 -0.302 0.000 2.221 358 K HA 0.570 4.905 4.320 0.025 0.000 0.258 358 K C -0.280 176.137 176.600 -0.304 0.000 0.944 358 K CA -0.860 55.124 56.287 -0.505 0.000 0.823 358 K CB 2.153 34.233 32.500 -0.699 0.000 1.113 358 K HN 0.281 nan 8.250 nan 0.000 0.431 359 L N -0.351 120.831 121.223 -0.068 0.000 2.400 359 L HA 0.645 5.000 4.340 0.025 0.000 0.264 359 L C 0.045 176.723 176.870 -0.321 0.000 1.061 359 L CA -0.504 54.240 54.840 -0.159 0.000 0.799 359 L CB 0.259 42.300 42.059 -0.030 0.000 1.240 359 L HN 0.433 nan 8.230 nan 0.000 0.461 360 I N 1.202 121.681 120.570 -0.152 0.000 2.307 360 I HA 0.372 4.557 4.170 0.025 0.000 0.289 360 I C -2.151 173.986 176.117 0.032 0.000 1.021 360 I CA -1.689 59.574 61.300 -0.062 0.000 1.224 360 I CB 1.210 39.202 38.000 -0.013 0.000 1.376 360 I HN 0.439 nan 8.210 nan 0.000 0.470 361 P HA 0.053 nan 4.420 nan 0.000 0.268 361 P C 0.323 177.694 177.300 0.119 0.000 1.204 361 P CA -0.010 63.144 63.100 0.088 0.000 0.768 361 P CB 0.650 32.398 31.700 0.080 0.000 0.842 362 E N 1.565 121.840 120.200 0.126 0.000 2.268 362 E HA -0.187 4.177 4.350 0.025 0.000 0.195 362 E C 1.355 178.011 176.600 0.093 0.000 0.995 362 E CA 0.747 57.208 56.400 0.102 0.000 0.836 362 E CB 0.018 29.780 29.700 0.104 0.000 0.763 362 E HN 0.502 nan 8.360 nan 0.000 0.491 363 E N 0.350 120.608 120.200 0.095 0.000 2.204 363 E HA -0.128 4.237 4.350 0.025 0.000 0.194 363 E C 2.032 178.697 176.600 0.108 0.000 0.989 363 E CA 0.714 57.166 56.400 0.087 0.000 0.824 363 E CB 0.102 29.847 29.700 0.074 0.000 0.756 363 E HN 0.364 nan 8.360 nan 0.000 0.477 364 L N -0.435 120.877 121.223 0.148 0.000 2.202 364 L HA 0.050 4.405 4.340 0.025 0.000 0.205 364 L C 0.609 177.602 176.870 0.205 0.000 1.083 364 L CA 0.411 55.377 54.840 0.209 0.000 0.790 364 L CB 0.451 42.713 42.059 0.339 0.000 0.942 364 L HN -0.210 nan 8.230 nan 0.000 0.452 365 V N 0.913 120.925 119.914 0.164 0.000 2.445 365 V HA 0.316 4.451 4.120 0.025 0.000 0.283 365 V C -2.446 173.696 176.094 0.080 0.000 1.014 365 V CA -1.402 60.978 62.300 0.133 0.000 0.852 365 V CB 1.377 33.276 31.823 0.126 0.000 1.021 365 V HN -0.057 nan 8.190 nan 0.000 0.435 366 P HA 0.216 nan 4.420 nan 0.000 0.274 366 P C -0.264 177.033 177.300 -0.005 0.000 1.237 366 P CA -0.134 62.984 63.100 0.031 0.000 0.793 366 P CB 0.830 32.552 31.700 0.037 0.000 0.977 367 V N 2.861 122.738 119.914 -0.062 0.000 2.455 367 V HA 0.063 4.198 4.120 0.025 0.000 0.273 367 V C 0.675 176.755 176.094 -0.025 0.000 1.045 367 V CA 0.125 62.359 62.300 -0.111 0.000 0.976 367 V CB -0.252 31.425 31.823 -0.243 0.000 0.993 367 V HN 0.451 nan 8.190 nan 0.000 0.475 368 Q N 4.893 124.697 119.800 0.007 0.000 2.256 368 Q HA 0.427 4.782 4.340 0.025 0.000 0.254 368 Q C -0.270 175.717 176.000 -0.022 0.000 0.916 368 Q CA -0.586 55.223 55.803 0.010 0.000 0.932 368 Q CB 1.640 30.396 28.738 0.031 0.000 1.207 368 Q HN 0.622 nan 8.270 nan 0.000 0.426 369 R N 1.234 121.748 120.500 0.024 0.000 2.537 369 R HA 0.073 4.428 4.340 0.025 0.000 0.280 369 R C 0.366 176.698 176.300 0.053 0.000 1.058 369 R CA -0.119 56.041 56.100 0.099 0.000 1.057 369 R CB 0.531 30.961 30.300 0.217 0.000 0.973 369 R HN 0.435 nan 8.270 nan 0.000 0.438 370 V N 0.962 120.824 119.914 -0.088 0.000 3.090 370 V HA 0.332 4.466 4.120 0.025 0.000 0.237 370 V C 0.785 176.632 176.094 -0.412 0.000 1.209 370 V CA 1.041 63.169 62.300 -0.287 0.000 1.209 370 V CB 0.912 32.310 31.823 -0.709 0.000 0.971 370 V HN 1.026 nan 8.190 nan 0.000 0.477 371 G N -0.303 108.120 108.800 -0.629 0.000 2.342 371 G HA2 0.467 4.441 3.960 0.025 0.000 0.297 371 G HA3 0.467 4.441 3.960 0.025 0.000 0.297 371 G C -1.877 172.670 174.900 -0.589 0.000 1.313 371 G CA -0.556 43.862 45.100 -1.138 0.000 0.830 371 G HN 0.055 nan 8.290 nan 0.000 0.506 372 K N -0.302 119.767 120.400 -0.552 0.000 2.378 372 K HA 0.718 5.053 4.320 0.025 0.000 0.252 372 K C -0.792 175.843 176.600 0.057 0.000 0.931 372 K CA -0.785 55.476 56.287 -0.042 0.000 0.794 372 K CB 1.988 34.511 32.500 0.039 0.000 1.181 372 K HN 0.612 nan 8.250 nan 0.000 0.425 373 M N 4.491 124.273 119.600 0.303 0.000 2.383 373 M HA 0.423 4.918 4.480 0.025 0.000 0.325 373 M C -1.726 174.556 176.300 -0.030 0.000 1.092 373 M CA -0.747 54.657 55.300 0.174 0.000 0.961 373 M CB 1.733 34.471 32.600 0.231 0.000 1.672 373 M HN 0.341 nan 8.290 nan 0.000 0.438 374 V N 6.147 125.873 119.914 -0.314 0.000 2.531 374 V HA 0.450 4.585 4.120 0.025 0.000 0.301 374 V C -0.636 175.327 176.094 -0.218 0.000 1.034 374 V CA -0.701 61.436 62.300 -0.271 0.000 0.865 374 V CB 1.826 33.356 31.823 -0.489 0.000 0.995 374 V HN 0.809 nan 8.190 nan 0.000 0.424 375 L N 5.527 126.713 121.223 -0.062 0.000 2.262 375 L HA 0.503 4.857 4.340 0.025 0.000 0.288 375 L C 0.374 177.165 176.870 -0.131 0.000 1.035 375 L CA -0.312 54.493 54.840 -0.058 0.000 0.820 375 L CB 1.188 43.267 42.059 0.035 0.000 1.204 375 L HN 0.878 nan 8.230 nan 0.000 0.424 376 N N 2.502 121.038 118.700 -0.274 0.000 2.194 376 N HA 0.134 4.889 4.740 0.025 0.000 0.231 376 N C -0.039 175.293 175.510 -0.297 0.000 1.247 376 N CA -0.389 52.238 53.050 -0.705 0.000 0.884 376 N CB 0.772 38.515 38.487 -1.239 0.000 1.146 376 N HN 0.454 nan 8.380 nan 0.000 0.516 377 R N 0.348 120.784 120.500 -0.108 0.000 2.515 377 R HA 0.294 4.649 4.340 0.025 0.000 0.278 377 R C -1.200 175.060 176.300 -0.066 0.000 1.107 377 R CA -0.560 55.496 56.100 -0.073 0.000 0.945 377 R CB 1.230 31.491 30.300 -0.064 0.000 1.219 377 R HN 0.059 nan 8.270 nan 0.000 0.434 378 N N 3.556 122.089 118.700 -0.278 0.000 2.444 378 N HA 0.198 4.953 4.740 0.025 0.000 0.255 378 N C -2.235 173.220 175.510 -0.091 0.000 1.255 378 N CA -0.977 51.770 53.050 -0.505 0.000 0.933 378 N CB 0.382 37.872 38.487 -1.661 0.000 1.143 378 N HN 0.338 nan 8.380 nan 0.000 0.453 379 P HA 0.087 nan 4.420 nan 0.000 0.274 379 P C 0.118 177.611 177.300 0.320 0.000 1.260 379 P CA -0.082 63.220 63.100 0.337 0.000 0.793 379 P CB 0.956 32.908 31.700 0.420 0.000 1.048 380 D N -1.222 119.340 120.400 0.270 0.000 2.197 380 D HA -0.016 4.639 4.640 0.025 0.000 0.212 380 D C 0.506 176.986 176.300 0.301 0.000 0.963 380 D CA 1.333 55.487 54.000 0.257 0.000 0.864 380 D CB 0.131 41.022 40.800 0.152 0.000 1.009 380 D HN 0.389 nan 8.370 nan 0.000 0.479 381 N N -0.258 118.611 118.700 0.281 0.000 2.399 381 N HA 0.019 4.774 4.740 0.025 0.000 0.284 381 N C -0.068 175.657 175.510 0.358 0.000 1.025 381 N CA -0.337 52.893 53.050 0.300 0.000 0.885 381 N CB 1.701 40.331 38.487 0.237 0.000 1.339 381 N HN -0.157 nan 8.380 nan 0.000 0.487 382 F N 4.501 124.607 119.950 0.260 0.000 2.102 382 F HA -0.105 4.436 4.527 0.023 0.000 0.298 382 F C 1.678 177.620 175.800 0.238 0.000 1.105 382 F CA 1.302 59.459 58.000 0.263 0.000 1.239 382 F CB -0.125 39.001 39.000 0.211 0.000 0.991 382 F HN 0.602 nan 8.300 nan 0.000 0.474 383 F N 0.919 121.118 119.950 0.414 0.000 2.095 383 F HA -0.171 4.372 4.527 0.025 0.000 0.298 383 F C 2.313 178.168 175.800 0.092 0.000 1.104 383 F CA 1.878 60.028 58.000 0.250 0.000 1.232 383 F CB -0.868 38.257 39.000 0.208 0.000 0.987 383 F HN 0.005 nan 8.300 nan 0.000 0.475 384 A N -0.368 122.599 122.820 0.244 0.000 1.930 384 A HA -0.149 4.186 4.320 0.025 0.000 0.217 384 A C 2.073 179.597 177.584 -0.101 0.000 1.175 384 A CA 1.934 54.020 52.037 0.080 0.000 0.627 384 A CB -0.651 18.449 19.000 0.167 0.000 0.815 384 A HN 0.586 nan 8.150 nan 0.000 0.443 385 E N -1.213 118.946 120.200 -0.068 0.000 2.162 385 E HA -0.068 4.297 4.350 0.025 0.000 0.193 385 E C 1.958 178.486 176.600 -0.120 0.000 0.953 385 E CA 0.528 56.828 56.400 -0.168 0.000 0.849 385 E CB -0.116 29.543 29.700 -0.068 0.000 0.810 385 E HN 0.571 nan 8.360 nan 0.000 0.470 386 N N 1.299 119.910 118.700 -0.149 0.000 2.182 386 N HA -0.156 4.599 4.740 0.025 0.000 0.186 386 N C 1.824 177.146 175.510 -0.313 0.000 1.036 386 N CA 1.323 54.219 53.050 -0.257 0.000 0.850 386 N CB 0.087 38.010 38.487 -0.940 0.000 1.010 386 N HN -0.064 nan 8.380 nan 0.000 0.432 387 E N 0.790 120.729 120.200 -0.435 0.000 2.110 387 E HA -0.081 4.284 4.350 0.025 0.000 0.193 387 E C 1.623 178.029 176.600 -0.323 0.000 0.988 387 E CA 1.439 57.660 56.400 -0.299 0.000 0.804 387 E CB -0.134 29.388 29.700 -0.296 0.000 0.745 387 E HN 0.489 nan 8.360 nan 0.000 0.458 388 Q N -0.327 119.218 119.800 -0.424 0.000 2.403 388 Q HA 0.268 4.623 4.340 0.025 0.000 0.203 388 Q C -0.015 175.864 176.000 -0.202 0.000 0.932 388 Q CA 0.192 55.796 55.803 -0.331 0.000 0.945 388 Q CB 0.501 29.027 28.738 -0.354 0.000 1.045 388 Q HN 0.219 nan 8.270 nan 0.000 0.511 389 A N 1.196 123.920 122.820 -0.161 0.000 2.511 389 A HA 0.416 4.750 4.320 0.025 0.000 0.242 389 A C -0.107 177.368 177.584 -0.181 0.000 1.069 389 A CA 0.256 52.183 52.037 -0.184 0.000 0.763 389 A CB 0.182 19.157 19.000 -0.042 0.000 1.001 389 A HN 0.279 nan 8.150 nan 0.000 0.498 390 A N 2.545 125.206 122.820 -0.266 0.000 2.319 390 A HA 0.725 5.060 4.320 0.025 0.000 0.310 390 A C -0.751 176.709 177.584 -0.205 0.000 1.152 390 A CA -0.412 51.532 52.037 -0.155 0.000 0.783 390 A CB 0.342 19.237 19.000 -0.175 0.000 1.184 390 A HN 0.663 nan 8.150 nan 0.000 0.474 391 F N 0.926 120.889 119.950 0.021 0.000 2.492 391 F HA 0.665 5.207 4.527 0.025 0.000 0.327 391 F C 0.236 176.031 175.800 -0.008 0.000 1.079 391 F CA -0.203 57.792 58.000 -0.009 0.000 0.967 391 F CB 2.196 41.132 39.000 -0.107 0.000 1.169 391 F HN 0.768 nan 8.300 nan 0.000 0.472 392 H N 3.050 121.999 119.070 -0.201 0.000 3.087 392 H HA 0.283 4.854 4.556 0.025 0.000 0.348 392 H C -2.514 172.436 175.328 -0.630 0.000 1.092 392 H CA -1.742 53.953 56.048 -0.590 0.000 1.285 392 H CB 2.803 32.152 29.762 -0.688 0.000 1.875 392 H HN 0.185 nan 8.280 nan 0.000 0.512 393 P HA 0.016 nan 4.420 nan 0.000 0.233 393 P C 1.147 178.297 177.300 -0.250 0.000 1.167 393 P CA 1.217 63.989 63.100 -0.545 0.000 0.770 393 P CB 0.127 31.567 31.700 -0.433 0.000 0.837 394 G N -0.842 107.601 108.800 -0.595 0.000 2.559 394 G HA2 -0.167 3.808 3.960 0.025 0.000 0.216 394 G HA3 -0.167 3.808 3.960 0.025 0.000 0.216 394 G C 0.443 175.556 174.900 0.354 0.000 1.126 394 G CA 0.034 45.202 45.100 0.112 0.000 0.778 394 G HN 0.443 nan 8.290 nan 0.000 0.543 395 H N 0.664 119.860 119.070 0.209 0.000 3.092 395 H HA 0.345 4.915 4.556 0.024 0.000 0.263 395 H C 0.580 176.013 175.328 0.175 0.000 1.611 395 H CA -0.813 55.320 56.048 0.143 0.000 1.457 395 H CB -0.088 29.722 29.762 0.081 0.000 1.731 395 H HN 0.379 nan 8.280 nan 0.000 0.532 396 I N -0.474 120.220 120.570 0.207 0.000 3.217 396 I HA 0.672 4.857 4.170 0.025 0.000 0.308 396 I C -0.084 176.016 176.117 -0.029 0.000 1.091 396 I CA -1.404 59.943 61.300 0.078 0.000 1.013 396 I CB 1.758 39.687 38.000 -0.118 0.000 1.250 396 I HN 0.098 nan 8.210 nan 0.000 0.496 397 V N -2.287 117.593 119.914 -0.057 0.000 3.102 397 V HA 0.688 4.823 4.120 0.025 0.000 0.312 397 V C -2.835 173.366 176.094 0.177 0.000 1.135 397 V CA -2.530 59.799 62.300 0.048 0.000 1.022 397 V CB 0.999 32.836 31.823 0.023 0.000 1.056 397 V HN 0.621 nan 8.190 nan 0.000 0.436 398 P HA 0.389 nan 4.420 nan 0.000 0.266 398 P C 0.901 178.204 177.300 0.005 0.000 1.195 398 P CA 1.893 65.077 63.100 0.140 0.000 0.768 398 P CB 0.810 32.562 31.700 0.086 0.000 0.838 399 G N 1.299 110.055 108.800 -0.073 0.000 2.213 399 G HA2 -0.165 3.810 3.960 0.025 0.000 0.226 399 G HA3 -0.165 3.810 3.960 0.025 0.000 0.226 399 G C -0.255 174.556 174.900 -0.148 0.000 0.992 399 G CA -0.371 44.660 45.100 -0.114 0.000 0.632 399 G HN 0.445 nan 8.290 nan 0.000 0.511 400 L N 0.026 121.176 121.223 -0.123 0.000 2.323 400 L HA 0.922 5.277 4.340 0.025 0.000 0.265 400 L C -0.454 176.359 176.870 -0.094 0.000 1.012 400 L CA -1.056 53.691 54.840 -0.156 0.000 0.820 400 L CB 2.085 43.975 42.059 -0.282 0.000 1.334 400 L HN 0.109 nan 8.230 nan 0.000 0.427 401 D N -0.588 119.740 120.400 -0.120 0.000 2.665 401 D HA 0.456 5.111 4.640 0.025 0.000 0.287 401 D C -1.300 174.936 176.300 -0.107 0.000 1.266 401 D CA -0.354 53.536 54.000 -0.183 0.000 0.830 401 D CB 1.848 42.615 40.800 -0.055 0.000 1.356 401 D HN 0.125 nan 8.370 nan 0.000 0.437 402 F N -0.214 119.854 119.950 0.198 0.000 2.321 402 F HA 0.554 5.096 4.527 0.025 0.000 0.318 402 F C 1.453 177.261 175.800 0.013 0.000 1.129 402 F CA -0.265 57.775 58.000 0.067 0.000 1.074 402 F CB 1.284 40.299 39.000 0.025 0.000 1.432 402 F HN 0.221 nan 8.300 nan 0.000 0.502 403 T N -3.262 111.375 114.554 0.137 0.000 2.742 403 T HA 0.306 4.671 4.350 0.025 0.000 0.282 403 T C -0.050 174.680 174.700 0.050 0.000 1.025 403 T CA -0.967 61.201 62.100 0.113 0.000 1.020 403 T CB 1.185 70.102 68.868 0.081 0.000 1.317 403 T HN 0.350 nan 8.240 nan 0.000 0.538 404 N N 1.065 119.802 118.700 0.063 0.000 2.449 404 N HA 0.048 4.802 4.740 0.025 0.000 0.191 404 N C 0.097 175.613 175.510 0.010 0.000 1.161 404 N CA 0.091 53.159 53.050 0.030 0.000 0.863 404 N CB -0.451 38.072 38.487 0.060 0.000 0.980 404 N HN 0.693 nan 8.380 nan 0.000 0.458 405 D N 2.353 122.745 120.400 -0.014 0.000 2.793 405 D HA -0.107 4.547 4.640 0.025 0.000 0.230 405 D C -1.430 174.858 176.300 -0.020 0.000 1.139 405 D CA -0.590 53.416 54.000 0.010 0.000 0.838 405 D CB 1.174 41.915 40.800 -0.099 0.000 1.149 405 D HN 0.177 nan 8.370 nan 0.000 0.526 406 P HA -0.062 nan 4.420 nan 0.000 0.241 406 P C 1.473 178.784 177.300 0.019 0.000 1.191 406 P CA -0.018 63.093 63.100 0.018 0.000 0.771 406 P CB 0.454 32.162 31.700 0.014 0.000 0.929 407 L N -0.051 121.198 121.223 0.044 0.000 2.084 407 L HA 0.018 4.373 4.340 0.025 0.000 0.202 407 L C 2.373 179.146 176.870 -0.161 0.000 1.074 407 L CA 1.239 56.096 54.840 0.028 0.000 0.757 407 L CB -1.528 40.632 42.059 0.168 0.000 0.918 407 L HN -0.172 nan 8.230 nan 0.000 0.444 408 L N -0.499 120.461 121.223 -0.439 0.000 2.042 408 L HA -0.242 4.113 4.340 0.025 0.000 0.210 408 L C 2.453 179.065 176.870 -0.430 0.000 1.076 408 L CA 1.818 56.194 54.840 -0.773 0.000 0.749 408 L CB -0.863 40.467 42.059 -1.216 0.000 0.893 408 L HN 0.377 nan 8.230 nan 0.000 0.432 409 Q N -0.185 119.438 119.800 -0.294 0.000 2.096 409 Q HA -0.158 4.196 4.340 0.025 0.000 0.204 409 Q C 2.107 178.027 176.000 -0.134 0.000 0.982 409 Q CA 1.782 57.455 55.803 -0.216 0.000 0.850 409 Q CB -0.765 27.896 28.738 -0.127 0.000 0.901 409 Q HN 0.718 nan 8.270 nan 0.000 0.422 410 G N 0.382 109.133 108.800 -0.081 0.000 2.464 410 G HA2 -0.185 3.790 3.960 0.025 0.000 0.217 410 G HA3 -0.185 3.790 3.960 0.025 0.000 0.217 410 G C 1.518 176.437 174.900 0.032 0.000 1.138 410 G CA 0.039 45.141 45.100 0.003 0.000 0.793 410 G HN 0.231 nan 8.290 nan 0.000 0.539 411 R N -0.047 120.419 120.500 -0.057 0.000 2.105 411 R HA 0.017 4.371 4.340 0.025 0.000 0.239 411 R C 2.491 178.877 176.300 0.142 0.000 1.135 411 R CA 0.914 57.042 56.100 0.048 0.000 0.967 411 R CB -0.506 29.766 30.300 -0.047 0.000 0.861 411 R HN 0.336 nan 8.270 nan 0.000 0.442 412 L N -0.323 120.875 121.223 -0.042 0.000 2.129 412 L HA -0.218 4.136 4.340 0.025 0.000 0.212 412 L C 2.314 179.316 176.870 0.219 0.000 1.087 412 L CA 1.188 56.027 54.840 -0.002 0.000 0.757 412 L CB -0.477 41.430 42.059 -0.254 0.000 0.896 412 L HN 0.161 nan 8.230 nan 0.000 0.434 413 F N 0.183 120.165 119.950 0.053 0.000 2.163 413 F HA -0.182 4.359 4.527 0.025 0.000 0.297 413 F C 2.818 178.658 175.800 0.067 0.000 1.094 413 F CA 1.557 59.584 58.000 0.045 0.000 1.290 413 F CB -0.272 38.735 39.000 0.013 0.000 1.017 413 F HN -0.040 nan 8.300 nan 0.000 0.483 414 S N -0.674 115.038 115.700 0.020 0.000 2.355 414 S HA -0.230 4.254 4.470 0.025 0.000 0.222 414 S C 2.070 176.550 174.600 -0.200 0.000 1.031 414 S CA 1.517 59.624 58.200 -0.155 0.000 0.993 414 S CB -0.859 62.280 63.200 -0.101 0.000 0.859 414 S HN 0.535 nan 8.310 nan 0.000 0.453 415 Y N 1.815 122.112 120.300 -0.006 0.000 2.421 415 Y HA -0.048 4.517 4.550 0.025 0.000 0.292 415 Y C 2.998 178.562 175.900 -0.559 0.000 1.136 415 Y CA 1.204 59.307 58.100 0.004 0.000 1.255 415 Y CB -0.513 38.896 38.460 1.582 0.000 0.991 415 Y HN 0.539 nan 8.280 nan 0.000 0.552 416 T N -3.064 111.105 114.554 -0.640 0.000 2.937 416 T HA -0.133 4.232 4.350 0.025 0.000 0.260 416 T C 1.533 176.030 174.700 -0.339 0.000 1.051 416 T CA 1.192 63.022 62.100 -0.450 0.000 1.141 416 T CB -0.405 68.269 68.868 -0.323 0.000 0.879 416 T HN 0.245 nan 8.240 nan 0.000 0.459 417 D N 1.344 121.481 120.400 -0.439 0.000 2.097 417 D HA -0.127 4.528 4.640 0.025 0.000 0.195 417 D C 2.291 178.429 176.300 -0.269 0.000 0.989 417 D CA 1.826 55.584 54.000 -0.404 0.000 0.827 417 D CB -0.808 39.560 40.800 -0.721 0.000 0.966 417 D HN 0.380 nan 8.370 nan 0.000 0.456 418 T N -1.016 113.370 114.554 -0.280 0.000 2.833 418 T HA -0.133 4.231 4.350 0.025 0.000 0.269 418 T C 1.654 176.224 174.700 -0.216 0.000 1.054 418 T CA 1.147 63.123 62.100 -0.207 0.000 1.135 418 T CB -0.223 68.522 68.868 -0.205 0.000 0.869 418 T HN 0.118 nan 8.240 nan 0.000 0.466 419 Q N 0.814 120.410 119.800 -0.340 0.000 2.234 419 Q HA -0.026 4.329 4.340 0.025 0.000 0.206 419 Q C 2.260 178.142 176.000 -0.196 0.000 0.980 419 Q CA 0.788 56.336 55.803 -0.425 0.000 0.869 419 Q CB -0.509 27.558 28.738 -1.119 0.000 0.912 419 Q HN 0.520 nan 8.270 nan 0.000 0.436 420 I N 0.891 121.399 120.570 -0.104 0.000 2.286 420 I HA -0.219 3.966 4.170 0.025 0.000 0.248 420 I C 2.294 178.408 176.117 -0.005 0.000 1.115 420 I CA 1.722 63.022 61.300 0.000 0.000 1.392 420 I CB -1.355 36.651 38.000 0.010 0.000 1.065 420 I HN 0.207 nan 8.210 nan 0.000 0.418 421 S N 0.485 116.167 115.700 -0.030 0.000 2.387 421 S HA -0.087 4.398 4.470 0.025 0.000 0.221 421 S C 2.179 176.767 174.600 -0.020 0.000 1.041 421 S CA 0.233 58.425 58.200 -0.013 0.000 0.959 421 S CB -0.420 62.775 63.200 -0.008 0.000 0.843 421 S HN 0.297 nan 8.310 nan 0.000 0.488 422 R N 0.952 121.422 120.500 -0.051 0.000 2.083 422 R HA 0.116 4.471 4.340 0.025 0.000 0.237 422 R C 1.406 177.681 176.300 -0.041 0.000 1.137 422 R CA 1.558 57.628 56.100 -0.050 0.000 0.951 422 R CB -0.280 29.968 30.300 -0.088 0.000 0.851 422 R HN 0.460 nan 8.270 nan 0.000 0.434 423 L N -0.928 120.261 121.223 -0.057 0.000 2.769 423 L HA 0.327 4.681 4.340 0.025 0.000 0.240 423 L C 0.840 177.725 176.870 0.025 0.000 1.163 423 L CA 0.292 55.118 54.840 -0.023 0.000 0.962 423 L CB 1.156 43.195 42.059 -0.034 0.000 1.258 423 L HN 0.581 nan 8.230 nan 0.000 0.513 424 G N -0.040 108.775 108.800 0.025 0.000 2.179 424 G HA2 -0.111 3.864 3.960 0.025 0.000 0.260 424 G HA3 -0.111 3.864 3.960 0.025 0.000 0.260 424 G C 0.451 175.389 174.900 0.063 0.000 0.977 424 G CA -0.011 45.112 45.100 0.038 0.000 0.641 424 G HN 0.801 nan 8.290 nan 0.000 0.533 425 G N -1.590 107.268 108.800 0.097 0.000 2.356 425 G HA2 0.582 4.557 3.960 0.025 0.000 0.288 425 G HA3 0.582 4.557 3.960 0.025 0.000 0.288 425 G C -2.185 172.846 174.900 0.218 0.000 1.302 425 G CA 0.375 45.549 45.100 0.124 0.000 0.887 425 G HN 0.481 nan 8.290 nan 0.000 0.521 426 P HA 0.126 nan 4.420 nan 0.000 0.249 426 P C 0.325 177.622 177.300 -0.006 0.000 1.229 426 P CA 0.356 63.542 63.100 0.143 0.000 0.788 426 P CB 0.199 31.948 31.700 0.082 0.000 1.072 427 N N 0.383 119.085 118.700 0.002 0.000 2.327 427 N HA 0.061 4.816 4.740 0.025 0.000 0.231 427 N C 1.022 176.368 175.510 -0.273 0.000 1.130 427 N CA -0.178 52.777 53.050 -0.158 0.000 0.845 427 N CB -0.558 37.871 38.487 -0.095 0.000 1.073 427 N HN 0.250 nan 8.380 nan 0.000 0.496 428 F N 0.864 120.787 119.950 -0.045 0.000 2.333 428 F HA -0.086 4.454 4.527 0.023 0.000 0.300 428 F C 2.217 177.944 175.800 -0.122 0.000 1.083 428 F CA 0.810 58.757 58.000 -0.087 0.000 1.395 428 F CB -0.832 38.137 39.000 -0.053 0.000 1.056 428 F HN 0.181 nan 8.300 nan 0.000 0.529 429 H N 0.410 119.100 119.070 -0.633 0.000 2.545 429 H HA 0.039 4.610 4.556 0.025 0.000 0.282 429 H C 0.816 175.981 175.328 -0.272 0.000 1.020 429 H CA 1.421 57.200 56.048 -0.447 0.000 1.243 429 H CB -0.689 28.663 29.762 -0.683 0.000 1.377 429 H HN 0.542 nan 8.280 nan 0.000 0.581 430 E N 0.886 120.670 120.200 -0.692 0.000 2.474 430 E HA 0.193 4.557 4.350 0.025 0.000 0.194 430 E C 0.368 176.850 176.600 -0.198 0.000 1.041 430 E CA -0.321 55.827 56.400 -0.419 0.000 0.874 430 E CB 0.576 30.034 29.700 -0.404 0.000 0.914 430 E HN 0.424 nan 8.360 nan 0.000 0.498 431 I N 2.724 123.197 120.570 -0.161 0.000 2.683 431 I HA -0.067 4.118 4.170 0.025 0.000 0.286 431 I C -1.583 174.471 176.117 -0.105 0.000 1.175 431 I CA -1.205 60.031 61.300 -0.107 0.000 1.429 431 I CB 0.521 38.472 38.000 -0.082 0.000 1.371 431 I HN -0.187 nan 8.210 nan 0.000 0.569 432 P HA -0.204 nan 4.420 nan 0.000 0.215 432 P C 1.764 178.987 177.300 -0.128 0.000 1.153 432 P CA 1.098 64.139 63.100 -0.097 0.000 0.853 432 P CB 0.184 31.834 31.700 -0.082 0.000 0.788 433 I N -0.456 120.011 120.570 -0.172 0.000 2.335 433 I HA -0.236 3.949 4.170 0.025 0.000 0.251 433 I C 1.369 177.405 176.117 -0.135 0.000 1.129 433 I CA 1.793 62.938 61.300 -0.259 0.000 1.402 433 I CB -0.560 37.168 38.000 -0.453 0.000 1.069 433 I HN -0.104 nan 8.210 nan 0.000 0.424 434 N N 0.648 119.286 118.700 -0.104 0.000 2.446 434 N HA 0.020 4.775 4.740 0.025 0.000 0.179 434 N C 0.312 175.825 175.510 0.006 0.000 1.054 434 N CA 0.246 53.267 53.050 -0.049 0.000 0.905 434 N CB -0.164 38.311 38.487 -0.020 0.000 0.973 434 N HN 0.387 nan 8.380 nan 0.000 0.448 435 R N 1.554 122.049 120.500 -0.008 0.000 2.570 435 R HA 0.112 4.467 4.340 0.025 0.000 0.277 435 R C -2.213 174.142 176.300 0.092 0.000 1.039 435 R CA -1.045 55.055 56.100 -0.001 0.000 1.065 435 R CB -0.167 30.119 30.300 -0.023 0.000 0.964 435 R HN 0.041 nan 8.270 nan 0.000 0.428 436 P HA -0.001 nan 4.420 nan 0.000 0.271 436 P C 0.590 177.964 177.300 0.122 0.000 1.218 436 P CA -0.053 63.121 63.100 0.124 0.000 0.780 436 P CB 0.773 32.502 31.700 0.048 0.000 0.901 437 T N -1.438 113.206 114.554 0.150 0.000 3.043 437 T HA 0.192 4.557 4.350 0.025 0.000 0.263 437 T C 0.948 175.699 174.700 0.086 0.000 1.094 437 T CA 0.117 62.261 62.100 0.072 0.000 1.127 437 T CB -0.369 68.528 68.868 0.048 0.000 0.905 437 T HN 0.454 nan 8.240 nan 0.000 0.490 438 A N 2.951 125.836 122.820 0.109 0.000 2.406 438 A HA 0.538 4.873 4.320 0.025 0.000 0.243 438 A C -2.182 175.468 177.584 0.110 0.000 1.082 438 A CA -1.306 50.792 52.037 0.103 0.000 0.786 438 A CB -0.420 18.641 19.000 0.102 0.000 1.029 438 A HN 0.283 nan 8.150 nan 0.000 0.495 439 P HA 0.304 nan 4.420 nan 0.000 0.269 439 P C -1.080 176.311 177.300 0.152 0.000 1.209 439 P CA 0.592 63.776 63.100 0.140 0.000 0.776 439 P CB 0.158 31.986 31.700 0.213 0.000 0.876 440 Y N 0.917 121.118 120.300 -0.165 0.000 2.386 440 Y HA 0.675 5.239 4.550 0.024 0.000 0.334 440 Y C -1.414 174.156 175.900 -0.550 0.000 1.002 440 Y CA -0.915 57.063 58.100 -0.203 0.000 1.068 440 Y CB 1.410 39.771 38.460 -0.166 0.000 1.203 440 Y HN 0.438 nan 8.280 nan 0.000 0.443 441 H N 3.677 122.603 119.070 -0.241 0.000 2.947 441 H HA 0.546 5.117 4.556 0.025 0.000 0.354 441 H C -1.207 173.975 175.328 -0.244 0.000 1.085 441 H CA -0.817 55.014 56.048 -0.362 0.000 1.253 441 H CB 1.660 31.259 29.762 -0.272 0.000 1.757 441 H HN 0.898 nan 8.280 nan 0.000 0.523 442 N N 0.340 118.902 118.700 -0.230 0.000 3.387 442 N HA 0.157 4.912 4.740 0.025 0.000 0.294 442 N C -1.247 174.021 175.510 -0.404 0.000 1.519 442 N CA -0.945 51.934 53.050 -0.284 0.000 0.875 442 N CB 0.514 38.996 38.487 -0.008 0.000 1.657 442 N HN 0.305 nan 8.380 nan 0.000 0.527 443 F N -0.326 119.660 119.950 0.060 0.000 2.641 443 F HA 0.356 4.897 4.527 0.024 0.000 0.302 443 F C 0.501 176.339 175.800 0.065 0.000 1.098 443 F CA -0.319 57.712 58.000 0.051 0.000 1.318 443 F CB 0.144 39.169 39.000 0.041 0.000 1.035 443 F HN 0.143 nan 8.300 nan 0.000 0.551 444 Q N 1.395 121.296 119.800 0.167 0.000 2.327 444 Q HA 0.432 4.787 4.340 0.025 0.000 0.254 444 Q C 0.049 176.123 176.000 0.123 0.000 0.952 444 Q CA -0.184 55.702 55.803 0.138 0.000 0.884 444 Q CB 1.108 29.904 28.738 0.097 0.000 1.224 444 Q HN 0.069 nan 8.270 nan 0.000 0.422 445 R N 1.483 122.050 120.500 0.111 0.000 2.836 445 R HA 0.385 4.740 4.340 0.025 0.000 0.269 445 R C -0.668 175.679 176.300 0.079 0.000 1.010 445 R CA -0.617 55.540 56.100 0.094 0.000 0.930 445 R CB 1.202 31.560 30.300 0.096 0.000 1.218 445 R HN 0.724 nan 8.270 nan 0.000 0.473 446 D N -0.326 120.112 120.400 0.065 0.000 3.555 446 D HA -0.146 4.509 4.640 0.025 0.000 0.215 446 D C 0.300 176.632 176.300 0.053 0.000 1.480 446 D CA 1.875 55.906 54.000 0.051 0.000 1.126 446 D CB -1.095 39.734 40.800 0.049 0.000 0.676 446 D HN 0.887 nan 8.370 nan 0.000 0.824 447 G N -1.284 107.546 108.800 0.050 0.000 2.712 447 G HA2 0.193 4.168 3.960 0.025 0.000 0.686 447 G HA3 0.193 4.168 3.960 0.025 0.000 0.686 447 G C -0.256 174.676 174.900 0.053 0.000 1.321 447 G CA 0.056 45.188 45.100 0.053 0.000 0.813 447 G HN 0.796 nan 8.290 nan 0.000 0.599 448 M N 1.152 120.789 119.600 0.062 0.000 2.250 448 M HA 0.438 4.933 4.480 0.025 0.000 0.337 448 M C 1.134 177.509 176.300 0.124 0.000 1.161 448 M CA 1.414 56.761 55.300 0.078 0.000 1.088 448 M CB -0.599 32.048 32.600 0.078 0.000 1.639 448 M HN 1.638 nan 8.290 nan 0.000 0.447 449 H N 0.912 119.985 119.070 0.005 0.000 2.692 449 H HA -0.200 4.370 4.556 0.023 0.000 0.316 449 H C -0.581 174.737 175.328 -0.016 0.000 1.176 449 H CA 0.655 56.701 56.048 -0.002 0.000 1.142 449 H CB -0.612 29.152 29.762 0.003 0.000 1.475 449 H HN 0.658 nan 8.280 nan 0.000 0.423 450 R N 1.260 121.781 120.500 0.035 0.000 2.458 450 R HA 0.010 4.365 4.340 0.025 0.000 0.303 450 R C 0.941 177.236 176.300 -0.010 0.000 1.013 450 R CA 0.288 56.399 56.100 0.018 0.000 1.026 450 R CB 0.262 30.571 30.300 0.015 0.000 0.948 450 R HN 0.412 nan 8.270 nan 0.000 0.417 451 M N 2.770 122.377 119.600 0.012 0.000 2.557 451 M HA 0.218 4.712 4.480 0.025 0.000 0.262 451 M C 0.948 177.244 176.300 -0.006 0.000 1.168 451 M CA 1.036 56.339 55.300 0.005 0.000 1.194 451 M CB -0.870 31.744 32.600 0.024 0.000 1.311 451 M HN 0.709 nan 8.290 nan 0.000 0.489 452 G N 2.153 110.956 108.800 0.004 0.000 2.313 452 G HA2 0.366 4.341 3.960 0.025 0.000 0.250 452 G HA3 0.366 4.341 3.960 0.025 0.000 0.250 452 G C -0.311 174.583 174.900 -0.010 0.000 1.281 452 G CA -0.327 44.771 45.100 -0.003 0.000 0.917 452 G HN 0.323 nan 8.290 nan 0.000 0.501 453 I N 2.961 123.518 120.570 -0.021 0.000 2.306 453 I HA 0.103 4.288 4.170 0.025 0.000 0.288 453 I C -0.265 175.839 176.117 -0.021 0.000 1.036 453 I CA -0.539 60.752 61.300 -0.016 0.000 1.221 453 I CB 0.980 38.971 38.000 -0.016 0.000 1.385 453 I HN 0.346 nan 8.210 nan 0.000 0.472 454 D N 4.907 125.300 120.400 -0.012 0.000 2.348 454 D HA 0.071 4.726 4.640 0.025 0.000 0.253 454 D C 1.219 177.518 176.300 -0.001 0.000 1.161 454 D CA 0.200 54.191 54.000 -0.015 0.000 0.876 454 D CB 1.881 42.679 40.800 -0.003 0.000 1.160 454 D HN 0.576 nan 8.370 nan 0.000 0.459 455 T N -0.648 113.901 114.554 -0.007 0.000 3.060 455 T HA -0.062 4.303 4.350 0.025 0.000 0.249 455 T C 0.866 175.575 174.700 0.015 0.000 1.079 455 T CA -0.506 61.595 62.100 0.001 0.000 1.013 455 T CB 0.146 69.008 68.868 -0.010 0.000 0.975 455 T HN 0.110 nan 8.240 nan 0.000 0.518 456 N N 3.414 122.125 118.700 0.018 0.000 2.411 456 N HA 0.080 4.834 4.740 0.025 0.000 0.265 456 N C -1.624 173.928 175.510 0.070 0.000 1.266 456 N CA -1.505 51.571 53.050 0.044 0.000 0.889 456 N CB 1.391 39.908 38.487 0.050 0.000 1.069 456 N HN 0.078 nan 8.380 nan 0.000 0.476 457 P HA -0.045 nan 4.420 nan 0.000 0.219 457 P C -0.528 176.836 177.300 0.108 0.000 1.146 457 P CA 0.992 64.139 63.100 0.080 0.000 0.808 457 P CB 0.182 31.924 31.700 0.070 0.000 0.779 458 A N 0.670 123.545 122.820 0.091 0.000 2.301 458 A HA 0.370 4.705 4.320 0.025 0.000 0.312 458 A C 0.542 178.234 177.584 0.179 0.000 1.182 458 A CA -0.642 51.401 52.037 0.009 0.000 0.826 458 A CB -0.107 18.745 19.000 -0.246 0.000 1.134 458 A HN 0.294 nan 8.150 nan 0.000 0.501 459 N N 0.494 119.334 118.700 0.232 0.000 2.338 459 N HA 0.347 5.102 4.740 0.025 0.000 0.251 459 N C -0.860 174.806 175.510 0.260 0.000 1.199 459 N CA -0.346 52.920 53.050 0.359 0.000 0.879 459 N CB 0.287 38.939 38.487 0.275 0.000 1.159 459 N HN 0.689 nan 8.380 nan 0.000 0.514 460 Y N -1.032 119.118 120.300 -0.249 0.000 2.609 460 Y HA 0.653 5.217 4.550 0.024 0.000 0.336 460 Y C -1.502 173.775 175.900 -1.039 0.000 1.129 460 Y CA -1.407 56.384 58.100 -0.515 0.000 1.040 460 Y CB 1.024 39.350 38.460 -0.223 0.000 1.310 460 Y HN 0.059 nan 8.280 nan 0.000 0.460 461 E N 1.239 120.921 120.200 -0.863 0.000 2.340 461 E HA 0.676 5.040 4.350 0.025 0.000 0.273 461 E C -3.151 173.339 176.600 -0.183 0.000 0.891 461 E CA -1.996 54.025 56.400 -0.631 0.000 0.757 461 E CB 1.806 31.092 29.700 -0.690 0.000 1.231 461 E HN 0.574 nan 8.360 nan 0.000 0.439 462 P HA 0.321 nan 4.420 nan 0.000 0.278 462 P C -1.302 175.939 177.300 -0.098 0.000 1.238 462 P CA -0.528 62.500 63.100 -0.120 0.000 0.794 462 P CB 0.594 32.261 31.700 -0.055 0.000 0.955 463 N N -1.593 116.978 118.700 -0.215 0.000 2.284 463 N HA 0.324 5.079 4.740 0.025 0.000 0.289 463 N C 0.288 175.747 175.510 -0.085 0.000 1.179 463 N CA -0.759 52.181 53.050 -0.184 0.000 0.774 463 N CB 1.400 39.468 38.487 -0.698 0.000 1.548 463 N HN 0.185 nan 8.380 nan 0.000 0.473 464 S N 0.687 116.387 115.700 0.001 0.000 2.483 464 S HA -0.014 4.471 4.470 0.025 0.000 0.221 464 S C 1.587 176.199 174.600 0.021 0.000 1.030 464 S CA 0.112 58.315 58.200 0.004 0.000 0.925 464 S CB -0.805 62.410 63.200 0.025 0.000 0.795 464 S HN 0.712 nan 8.310 nan 0.000 0.511 465 I N -0.602 119.991 120.570 0.037 0.000 2.756 465 I HA 0.177 4.362 4.170 0.025 0.000 0.262 465 I C 1.288 177.438 176.117 0.055 0.000 1.225 465 I CA 1.282 62.615 61.300 0.055 0.000 1.472 465 I CB -0.426 37.626 38.000 0.086 0.000 1.094 465 I HN 0.167 nan 8.210 nan 0.000 0.454 466 N N 1.197 119.926 118.700 0.049 0.000 2.351 466 N HA 0.041 4.796 4.740 0.025 0.000 0.254 466 N C -0.102 175.513 175.510 0.176 0.000 1.241 466 N CA -0.054 53.066 53.050 0.116 0.000 0.883 466 N CB -0.047 38.523 38.487 0.138 0.000 1.202 466 N HN 0.196 nan 8.380 nan 0.000 0.512 467 D N 0.699 121.152 120.400 0.088 0.000 2.751 467 D HA -0.260 4.395 4.640 0.025 0.000 0.233 467 D C -0.101 176.086 176.300 -0.189 0.000 1.149 467 D CA 1.049 55.063 54.000 0.024 0.000 0.682 467 D CB -1.361 39.532 40.800 0.156 0.000 1.068 467 D HN 0.490 nan 8.370 nan 0.000 0.429 468 N N -1.693 116.930 118.700 -0.128 0.000 2.753 468 N HA -0.246 4.509 4.740 0.025 0.000 0.251 468 N C -0.863 174.574 175.510 -0.122 0.000 1.097 468 N CA 1.424 54.370 53.050 -0.174 0.000 0.786 468 N CB -1.264 37.074 38.487 -0.249 0.000 1.137 468 N HN 0.540 nan 8.380 nan 0.000 0.566 469 W N 0.760 122.113 121.300 0.088 0.000 2.381 469 W HA 0.466 5.141 4.660 0.024 0.000 0.329 469 W C -1.726 174.836 176.519 0.071 0.000 1.157 469 W CA -1.688 55.690 57.345 0.055 0.000 1.240 469 W CB 0.781 30.224 29.460 -0.028 0.000 1.199 469 W HN -0.042 nan 8.180 nan 0.000 0.579 470 P HA 0.222 nan 4.420 nan 0.000 0.278 470 P C -0.666 176.764 177.300 0.216 0.000 1.238 470 P CA -0.214 63.023 63.100 0.229 0.000 0.794 470 P CB 1.005 32.677 31.700 -0.047 0.000 0.955 471 R N 1.187 121.796 120.500 0.182 0.000 2.604 471 R HA 0.309 4.664 4.340 0.025 0.000 0.287 471 R C 0.382 176.714 176.300 0.053 0.000 0.970 471 R CA -0.819 55.270 56.100 -0.019 0.000 0.946 471 R CB 1.159 31.236 30.300 -0.372 0.000 1.127 471 R HN 0.499 nan 8.270 nan 0.000 0.473 472 E N 0.673 120.894 120.200 0.034 0.000 2.438 472 E HA 0.006 4.371 4.350 0.025 0.000 0.261 472 E C -0.547 176.074 176.600 0.036 0.000 1.103 472 E CA 0.736 57.166 56.400 0.049 0.000 0.959 472 E CB 0.619 30.338 29.700 0.031 0.000 0.958 472 E HN 0.360 nan 8.360 nan 0.000 0.447 473 T N 3.409 117.995 114.554 0.054 0.000 2.881 473 T HA 0.323 4.688 4.350 0.025 0.000 0.291 473 T C -2.440 172.283 174.700 0.039 0.000 0.990 473 T CA -1.498 60.633 62.100 0.050 0.000 0.976 473 T CB 1.523 70.433 68.868 0.071 0.000 0.970 473 T HN 0.228 nan 8.240 nan 0.000 0.438 474 P HA 0.182 nan 4.420 nan 0.000 0.268 474 P C -2.355 174.951 177.300 0.009 0.000 1.208 474 P CA -1.005 62.102 63.100 0.012 0.000 0.777 474 P CB -0.176 31.526 31.700 0.004 0.000 0.875 475 P HA 0.264 nan 4.420 nan 0.000 0.272 475 P C -0.104 177.185 177.300 -0.019 0.000 1.230 475 P CA 0.276 63.362 63.100 -0.024 0.000 0.788 475 P CB 0.854 32.519 31.700 -0.058 0.000 0.949 476 G N 0.775 109.563 108.800 -0.020 0.000 2.554 476 G HA2 0.409 4.384 3.960 0.025 0.000 0.306 476 G HA3 0.409 4.384 3.960 0.025 0.000 0.306 476 G C -2.526 172.364 174.900 -0.017 0.000 1.320 476 G CA -0.675 44.417 45.100 -0.014 0.000 0.800 476 G HN 0.168 nan 8.290 nan 0.000 0.481 477 P HA 0.149 nan 4.420 nan 0.000 0.222 477 P C 0.098 177.393 177.300 -0.007 0.000 1.153 477 P CA 1.007 64.099 63.100 -0.014 0.000 0.798 477 P CB 0.429 32.123 31.700 -0.010 0.000 0.796 478 K N -0.638 119.765 120.400 0.004 0.000 2.527 478 K HA 0.311 4.646 4.320 0.025 0.000 0.260 478 K C -0.059 176.557 176.600 0.026 0.000 0.937 478 K CA -0.855 55.441 56.287 0.016 0.000 0.826 478 K CB 2.251 34.762 32.500 0.018 0.000 1.359 478 K HN -0.324 nan 8.250 nan 0.000 0.434 479 R N -0.613 119.910 120.500 0.039 0.000 3.863 479 R HA -0.144 4.211 4.340 0.025 0.000 0.313 479 R C 0.096 176.426 176.300 0.050 0.000 1.202 479 R CA 1.035 57.165 56.100 0.050 0.000 0.852 479 R CB -2.227 28.101 30.300 0.047 0.000 1.292 479 R HN 0.969 nan 8.270 nan 0.000 0.519 480 G N -0.539 108.285 108.800 0.041 0.000 2.504 480 G HA2 0.565 4.540 3.960 0.025 0.000 0.288 480 G HA3 0.565 4.540 3.960 0.025 0.000 0.288 480 G C 0.482 175.416 174.900 0.057 0.000 1.182 480 G CA 0.122 45.244 45.100 0.036 0.000 0.894 480 G HN 0.253 nan 8.290 nan 0.000 0.521 481 G N -1.027 107.807 108.800 0.058 0.000 2.614 481 G HA2 0.366 4.341 3.960 0.025 0.000 0.239 481 G HA3 0.366 4.341 3.960 0.025 0.000 0.239 481 G C -0.538 174.418 174.900 0.093 0.000 1.240 481 G CA -0.487 44.668 45.100 0.092 0.000 0.842 481 G HN 0.474 nan 8.290 nan 0.000 0.584 482 F N 0.516 120.482 119.950 0.027 0.000 2.456 482 F HA 0.412 4.955 4.527 0.025 0.000 0.358 482 F C 0.520 176.335 175.800 0.025 0.000 1.095 482 F CA -0.287 57.725 58.000 0.019 0.000 1.216 482 F CB 0.925 39.940 39.000 0.024 0.000 1.125 482 F HN 0.474 nan 8.300 nan 0.000 0.549 483 E N 4.092 123.922 120.200 -0.617 0.000 2.272 483 E HA 0.322 4.687 4.350 0.025 0.000 0.269 483 E C -1.220 175.033 176.600 -0.579 0.000 0.877 483 E CA -0.799 55.393 56.400 -0.346 0.000 0.755 483 E CB 1.669 31.255 29.700 -0.190 0.000 1.192 483 E HN 0.614 nan 8.360 nan 0.000 0.422 484 S N 2.431 118.014 115.700 -0.195 0.000 2.576 484 S HA 0.026 4.511 4.470 0.025 0.000 0.276 484 S C -0.607 173.968 174.600 -0.043 0.000 1.339 484 S CA -0.364 57.808 58.200 -0.048 0.000 1.039 484 S CB 0.152 63.455 63.200 0.171 0.000 0.902 484 S HN 0.475 nan 8.310 nan 0.000 0.516 485 Y N 2.526 122.752 120.300 -0.123 0.000 2.717 485 Y HA -0.029 4.535 4.550 0.025 0.000 0.330 485 Y C 0.905 176.782 175.900 -0.039 0.000 1.217 485 Y CA 0.278 58.321 58.100 -0.095 0.000 1.506 485 Y CB 0.198 38.600 38.460 -0.096 0.000 1.268 485 Y HN 0.580 nan 8.280 nan 0.000 0.561 486 Q N 5.374 124.816 119.800 -0.596 0.000 3.254 486 Q HA 0.007 4.362 4.340 0.025 0.000 0.315 486 Q C -0.214 175.493 176.000 -0.488 0.000 1.405 486 Q CA -0.036 55.520 55.803 -0.412 0.000 0.966 486 Q CB -0.198 28.358 28.738 -0.303 0.000 1.706 486 Q HN 0.649 nan 8.270 nan 0.000 0.525 487 E N 1.562 121.561 120.200 -0.335 0.000 2.414 487 E HA -0.015 4.350 4.350 0.025 0.000 0.263 487 E C -0.283 176.288 176.600 -0.048 0.000 1.000 487 E CA -0.289 56.044 56.400 -0.113 0.000 0.914 487 E CB 0.676 30.454 29.700 0.131 0.000 0.948 487 E HN 0.245 nan 8.360 nan 0.000 0.444 488 R N 3.008 123.501 120.500 -0.011 0.000 2.389 488 R HA 0.214 4.569 4.340 0.025 0.000 0.295 488 R C -1.252 175.072 176.300 0.040 0.000 1.075 488 R CA -0.362 55.743 56.100 0.008 0.000 1.005 488 R CB 0.705 31.016 30.300 0.018 0.000 0.987 488 R HN 0.311 nan 8.270 nan 0.000 0.452 489 V N 4.271 124.202 119.914 0.028 0.000 2.495 489 V HA 0.447 4.582 4.120 0.025 0.000 0.298 489 V C -0.423 175.684 176.094 0.023 0.000 1.031 489 V CA -0.603 61.717 62.300 0.033 0.000 0.871 489 V CB 1.592 33.431 31.823 0.027 0.000 0.988 489 V HN 0.831 nan 8.190 nan 0.000 0.432 490 E N 2.297 122.512 120.200 0.024 0.000 2.343 490 E HA 0.625 4.990 4.350 0.025 0.000 0.286 490 E C -0.564 176.041 176.600 0.009 0.000 0.915 490 E CA -0.066 56.342 56.400 0.013 0.000 0.784 490 E CB 2.250 31.959 29.700 0.014 0.000 1.251 490 E HN 1.033 nan 8.360 nan 0.000 0.407 491 G N 2.843 111.644 108.800 0.001 0.000 2.337 491 G HA2 0.061 4.036 3.960 0.025 0.000 0.298 491 G HA3 0.061 4.036 3.960 0.025 0.000 0.298 491 G C -1.439 173.455 174.900 -0.010 0.000 1.335 491 G CA -0.939 44.157 45.100 -0.006 0.000 0.875 491 G HN 0.390 nan 8.290 nan 0.000 0.579 492 N N 0.123 118.814 118.700 -0.015 0.000 2.495 492 N HA 0.364 5.118 4.740 0.025 0.000 0.280 492 N C -0.116 175.382 175.510 -0.021 0.000 1.168 492 N CA -0.345 52.695 53.050 -0.017 0.000 0.978 492 N CB 1.144 39.620 38.487 -0.019 0.000 1.191 492 N HN 0.495 nan 8.380 nan 0.000 0.497 493 K N 0.840 121.226 120.400 -0.022 0.000 2.351 493 K HA 0.158 4.493 4.320 0.025 0.000 0.287 493 K C -0.325 176.253 176.600 -0.035 0.000 1.068 493 K CA -0.094 56.176 56.287 -0.028 0.000 0.998 493 K CB -0.182 32.302 32.500 -0.026 0.000 0.968 493 K HN 0.325 nan 8.250 nan 0.000 0.464 494 V N 0.251 120.139 119.914 -0.043 0.000 2.876 494 V HA 0.475 4.610 4.120 0.025 0.000 0.312 494 V C -0.499 175.556 176.094 -0.066 0.000 1.085 494 V CA -1.354 60.916 62.300 -0.050 0.000 0.945 494 V CB 2.016 33.810 31.823 -0.048 0.000 1.017 494 V HN 0.605 nan 8.190 nan 0.000 0.428 495 R N 2.367 122.823 120.500 -0.072 0.000 2.369 495 R HA 0.615 4.969 4.340 0.025 0.000 0.310 495 R C -0.518 175.734 176.300 -0.079 0.000 1.141 495 R CA -0.139 55.906 56.100 -0.092 0.000 1.116 495 R CB 0.853 31.085 30.300 -0.113 0.000 1.135 495 R HN 0.943 nan 8.270 nan 0.000 0.529 496 E N 2.017 122.166 120.200 -0.084 0.000 2.335 496 E HA 0.241 4.606 4.350 0.025 0.000 0.280 496 E C -1.309 175.224 176.600 -0.111 0.000 0.918 496 E CA -1.006 55.346 56.400 -0.079 0.000 0.765 496 E CB 1.607 31.266 29.700 -0.068 0.000 1.218 496 E HN 0.129 nan 8.360 nan 0.000 0.425 497 R N 1.757 122.196 120.500 -0.103 0.000 2.390 497 R HA 0.267 4.622 4.340 0.025 0.000 0.291 497 R C -0.602 175.582 176.300 -0.193 0.000 1.070 497 R CA -0.032 55.968 56.100 -0.168 0.000 1.014 497 R CB 1.339 31.601 30.300 -0.064 0.000 1.007 497 R HN 0.398 nan 8.270 nan 0.000 0.466 498 S N 4.708 120.185 115.700 -0.371 0.000 2.549 498 S HA 0.117 4.601 4.470 0.025 0.000 0.286 498 S C -1.554 173.021 174.600 -0.042 0.000 1.314 498 S CA -1.189 56.882 58.200 -0.216 0.000 1.062 498 S CB 0.668 63.695 63.200 -0.289 0.000 0.865 498 S HN 0.544 nan 8.310 nan 0.000 0.498 499 P HA -0.110 nan 4.420 nan 0.000 0.218 499 P C 1.450 178.801 177.300 0.085 0.000 1.146 499 P CA 1.243 64.365 63.100 0.035 0.000 0.813 499 P CB -0.090 31.620 31.700 0.016 0.000 0.778 500 S N -2.250 113.541 115.700 0.151 0.000 2.474 500 S HA -0.084 4.400 4.470 0.025 0.000 0.235 500 S C 1.419 176.186 174.600 0.279 0.000 0.997 500 S CA 0.735 59.056 58.200 0.202 0.000 0.949 500 S CB -1.313 62.042 63.200 0.259 0.000 0.766 500 S HN -0.020 nan 8.310 nan 0.000 0.517 501 F N 2.284 122.228 119.950 -0.011 0.000 2.789 501 F HA 0.383 4.925 4.527 0.024 0.000 0.300 501 F C 1.973 177.711 175.800 -0.102 0.000 1.132 501 F CA -0.838 57.152 58.000 -0.018 0.000 1.404 501 F CB -0.666 38.354 39.000 0.034 0.000 1.114 501 F HN 0.349 nan 8.300 nan 0.000 0.584 502 G N 0.529 109.327 108.800 -0.003 0.000 3.471 502 G HA2 0.078 4.052 3.960 0.025 0.000 0.254 502 G HA3 0.078 4.052 3.960 0.025 0.000 0.254 502 G C 0.002 174.455 174.900 -0.745 0.000 1.199 502 G CA 0.110 45.016 45.100 -0.324 0.000 1.683 502 G HN 0.048 nan 8.290 nan 0.000 0.625 503 E N 0.020 119.746 120.200 -0.789 0.000 2.256 503 E HA 0.368 4.733 4.350 0.025 0.000 0.268 503 E C -0.879 175.323 176.600 -0.664 0.000 0.877 503 E CA -0.776 55.231 56.400 -0.655 0.000 0.757 503 E CB 1.630 31.188 29.700 -0.237 0.000 1.183 503 E HN 0.192 nan 8.360 nan 0.000 0.418 504 Y N 2.449 122.553 120.300 -0.327 0.000 2.448 504 Y HA 0.194 4.759 4.550 0.025 0.000 0.257 504 Y C 0.700 176.340 175.900 -0.433 0.000 1.089 504 Y CA -0.130 57.688 58.100 -0.470 0.000 1.245 504 Y CB 0.413 38.443 38.460 -0.718 0.000 1.282 504 Y HN 0.430 nan 8.280 nan 0.000 0.529 505 Y N -1.996 118.391 120.300 0.145 0.000 2.535 505 Y HA 0.174 4.739 4.550 0.025 0.000 0.264 505 Y C 2.243 178.210 175.900 0.111 0.000 1.087 505 Y CA 0.191 58.371 58.100 0.134 0.000 1.285 505 Y CB -0.186 38.355 38.460 0.135 0.000 1.200 505 Y HN -0.147 nan 8.280 nan 0.000 0.514 506 S N -0.328 115.506 115.700 0.224 0.000 2.368 506 S HA -0.185 4.300 4.470 0.025 0.000 0.224 506 S C 1.503 176.178 174.600 0.125 0.000 1.029 506 S CA 1.716 60.029 58.200 0.189 0.000 0.988 506 S CB -0.305 63.014 63.200 0.199 0.000 0.838 506 S HN 0.495 nan 8.310 nan 0.000 0.462 507 H N 1.347 120.336 119.070 -0.136 0.000 2.321 507 H HA 0.027 4.598 4.556 0.025 0.000 0.300 507 H C -0.610 174.528 175.328 -0.318 0.000 1.087 507 H CA 1.292 57.105 56.048 -0.392 0.000 1.319 507 H CB -1.789 27.494 29.762 -0.800 0.000 1.379 507 H HN 0.316 nan 8.280 nan 0.000 0.501 508 P HA -0.205 nan 4.420 nan 0.000 0.216 508 P C 1.529 179.020 177.300 0.318 0.000 1.157 508 P CA 1.794 65.055 63.100 0.269 0.000 0.880 508 P CB 0.058 31.940 31.700 0.304 0.000 0.791 509 R N -0.520 120.120 120.500 0.232 0.000 2.073 509 R HA -0.158 4.197 4.340 0.025 0.000 0.234 509 R C 2.215 178.645 176.300 0.218 0.000 1.134 509 R CA 1.360 57.599 56.100 0.231 0.000 0.952 509 R CB -1.162 29.237 30.300 0.164 0.000 0.850 509 R HN 0.052 nan 8.270 nan 0.000 0.433 510 L N 0.479 121.770 121.223 0.113 0.000 2.043 510 L HA -0.185 4.170 4.340 0.025 0.000 0.212 510 L C 2.020 178.953 176.870 0.105 0.000 1.075 510 L CA 1.815 56.687 54.840 0.052 0.000 0.752 510 L CB -0.678 41.333 42.059 -0.081 0.000 0.891 510 L HN 0.265 nan 8.230 nan 0.000 0.432 511 F N -0.980 119.004 119.950 0.056 0.000 2.102 511 F HA -0.266 4.276 4.527 0.025 0.000 0.298 511 F C 2.315 178.121 175.800 0.010 0.000 1.105 511 F CA 2.017 60.032 58.000 0.025 0.000 1.239 511 F CB -0.616 38.432 39.000 0.080 0.000 0.991 511 F HN 0.376 nan 8.300 nan 0.000 0.474 512 W N 1.384 122.676 121.300 -0.013 0.000 2.318 512 W HA -0.255 4.420 4.660 0.025 0.000 0.313 512 W C 1.673 178.072 176.519 -0.199 0.000 1.221 512 W CA 1.798 59.083 57.345 -0.100 0.000 1.266 512 W CB -0.731 28.758 29.460 0.048 0.000 1.150 512 W HN 0.095 nan 8.180 nan 0.000 0.496 513 L N 1.052 122.192 121.223 -0.139 0.000 2.376 513 L HA -0.142 4.213 4.340 0.025 0.000 0.219 513 L C 2.378 179.052 176.870 -0.326 0.000 1.133 513 L CA 1.035 55.726 54.840 -0.248 0.000 0.816 513 L CB -0.602 41.441 42.059 -0.026 0.000 0.933 513 L HN -0.144 nan 8.230 nan 0.000 0.449 514 S N -1.373 114.117 115.700 -0.349 0.000 2.558 514 S HA 0.048 4.533 4.470 0.025 0.000 0.217 514 S C 0.711 175.023 174.600 -0.480 0.000 0.975 514 S CA 0.129 58.120 58.200 -0.348 0.000 0.912 514 S CB 0.032 63.059 63.200 -0.288 0.000 0.776 514 S HN 0.287 nan 8.310 nan 0.000 0.526 515 Q N 2.040 121.449 119.800 -0.652 0.000 2.227 515 Q HA 0.311 4.665 4.340 0.025 0.000 0.245 515 Q C 0.612 176.218 176.000 -0.656 0.000 0.926 515 Q CA -0.143 55.242 55.803 -0.698 0.000 0.895 515 Q CB 0.574 28.832 28.738 -0.801 0.000 1.230 515 Q HN 0.416 nan 8.270 nan 0.000 0.450 516 T N -1.994 112.127 114.554 -0.723 0.000 2.766 516 T HA 0.165 4.530 4.350 0.025 0.000 0.295 516 T C -1.757 172.469 174.700 -0.789 0.000 1.024 516 T CA -1.273 60.353 62.100 -0.789 0.000 1.018 516 T CB 0.281 68.404 68.868 -1.243 0.000 1.002 516 T HN 0.218 nan 8.240 nan 0.000 0.532 517 P HA -0.002 nan 4.420 nan 0.000 0.217 517 P C 1.398 178.490 177.300 -0.347 0.000 1.150 517 P CA 0.959 63.833 63.100 -0.377 0.000 0.832 517 P CB -0.252 31.344 31.700 -0.173 0.000 0.787 518 F N -0.043 119.714 119.950 -0.321 0.000 2.186 518 F HA 0.001 4.543 4.527 0.025 0.000 0.299 518 F C 1.854 177.311 175.800 -0.572 0.000 1.090 518 F CA 0.904 58.650 58.000 -0.425 0.000 1.307 518 F CB -1.691 37.029 39.000 -0.467 0.000 1.019 518 F HN -0.102 nan 8.300 nan 0.000 0.489 519 E N 0.602 120.267 120.200 -0.892 0.000 2.077 519 E HA -0.229 4.136 4.350 0.025 0.000 0.193 519 E C 2.237 178.659 176.600 -0.296 0.000 0.989 519 E CA 1.571 57.656 56.400 -0.526 0.000 0.800 519 E CB -0.323 29.011 29.700 -0.610 0.000 0.746 519 E HN 0.630 nan 8.360 nan 0.000 0.452 520 Q N 0.276 119.820 119.800 -0.428 0.000 2.084 520 Q HA -0.216 4.138 4.340 0.025 0.000 0.202 520 Q C 2.277 178.323 176.000 0.077 0.000 0.978 520 Q CA 1.379 56.970 55.803 -0.353 0.000 0.844 520 Q CB -0.170 28.099 28.738 -0.781 0.000 0.898 520 Q HN 0.008 nan 8.270 nan 0.000 0.426 521 R N 0.493 121.006 120.500 0.021 0.000 2.091 521 R HA -0.170 4.185 4.340 0.025 0.000 0.238 521 R C 1.638 178.129 176.300 0.317 0.000 1.136 521 R CA 1.972 58.175 56.100 0.171 0.000 0.959 521 R CB -0.532 29.843 30.300 0.125 0.000 0.856 521 R HN 0.485 nan 8.270 nan 0.000 0.437 522 H N -0.915 118.254 119.070 0.164 0.000 2.423 522 H HA 0.004 4.575 4.556 0.025 0.000 0.297 522 H C 2.032 177.484 175.328 0.207 0.000 1.075 522 H CA 1.097 57.258 56.048 0.190 0.000 1.342 522 H CB 0.047 29.926 29.762 0.195 0.000 1.395 522 H HN 0.188 nan 8.280 nan 0.000 0.530 523 I N 0.181 120.976 120.570 0.376 0.000 2.179 523 I HA -0.261 3.924 4.170 0.025 0.000 0.242 523 I C 2.330 178.749 176.117 0.504 0.000 1.088 523 I CA 0.811 62.371 61.300 0.433 0.000 1.357 523 I CB -0.141 38.213 38.000 0.590 0.000 1.051 523 I HN 0.068 nan 8.210 nan 0.000 0.409 524 V N 0.790 120.989 119.914 0.475 0.000 2.324 524 V HA -0.333 3.802 4.120 0.025 0.000 0.250 524 V C 2.002 178.281 176.094 0.308 0.000 1.060 524 V CA 2.110 64.636 62.300 0.377 0.000 1.042 524 V CB -0.648 31.352 31.823 0.295 0.000 0.650 524 V HN 0.425 nan 8.190 nan 0.000 0.450 525 D N 0.148 120.713 120.400 0.274 0.000 2.183 525 D HA -0.056 4.599 4.640 0.025 0.000 0.203 525 D C 2.161 178.550 176.300 0.149 0.000 0.969 525 D CA 1.401 55.527 54.000 0.210 0.000 0.842 525 D CB -0.451 40.476 40.800 0.211 0.000 0.957 525 D HN 0.472 nan 8.370 nan 0.000 0.484 526 G N 0.024 108.895 108.800 0.119 0.000 2.404 526 G HA2 -0.235 3.740 3.960 0.025 0.000 0.215 526 G HA3 -0.235 3.740 3.960 0.025 0.000 0.215 526 G C 1.440 176.344 174.900 0.007 0.000 1.174 526 G CA 0.111 45.191 45.100 -0.034 0.000 0.780 526 G HN 0.153 nan 8.290 nan 0.000 0.537 527 F N 1.988 121.982 119.950 0.073 0.000 2.120 527 F HA -0.133 4.409 4.527 0.025 0.000 0.300 527 F C 3.162 178.876 175.800 -0.143 0.000 1.095 527 F CA 1.738 59.711 58.000 -0.045 0.000 1.249 527 F CB -0.360 38.626 39.000 -0.023 0.000 0.995 527 F HN 0.095 nan 8.300 nan 0.000 0.480 528 S N -0.338 115.460 115.700 0.163 0.000 2.355 528 S HA -0.195 4.290 4.470 0.025 0.000 0.222 528 S C 1.870 176.483 174.600 0.022 0.000 1.031 528 S CA 1.211 59.449 58.200 0.065 0.000 0.993 528 S CB -0.797 62.465 63.200 0.103 0.000 0.859 528 S HN 0.407 nan 8.310 nan 0.000 0.453 529 F N 2.539 122.445 119.950 -0.072 0.000 2.113 529 F HA -0.072 4.470 4.527 0.024 0.000 0.297 529 F C 2.371 178.099 175.800 -0.120 0.000 1.103 529 F CA 1.364 59.309 58.000 -0.091 0.000 1.248 529 F CB -0.181 38.700 39.000 -0.198 0.000 0.999 529 F HN 0.104 nan 8.300 nan 0.000 0.475 530 E N 0.621 120.795 120.200 -0.044 0.000 2.047 530 E HA -0.192 4.173 4.350 0.025 0.000 0.191 530 E C 2.355 178.753 176.600 -0.336 0.000 0.987 530 E CA 1.526 57.864 56.400 -0.104 0.000 0.799 530 E CB -0.528 29.244 29.700 0.120 0.000 0.752 530 E HN 0.473 nan 8.360 nan 0.000 0.449 531 L N 1.458 122.400 121.223 -0.468 0.000 2.191 531 L HA -0.140 4.214 4.340 0.025 0.000 0.212 531 L C 2.702 179.398 176.870 -0.291 0.000 1.103 531 L CA 1.089 55.631 54.840 -0.497 0.000 0.769 531 L CB -0.469 41.318 42.059 -0.454 0.000 0.908 531 L HN 0.135 nan 8.230 nan 0.000 0.438 532 S N -0.590 114.950 115.700 -0.267 0.000 2.442 532 S HA -0.126 4.359 4.470 0.025 0.000 0.236 532 S C 1.790 176.260 174.600 -0.216 0.000 1.007 532 S CA 0.694 58.760 58.200 -0.222 0.000 0.965 532 S CB -0.108 62.956 63.200 -0.227 0.000 0.773 532 S HN 0.259 nan 8.310 nan 0.000 0.504 533 K N 1.225 121.474 120.400 -0.252 0.000 2.444 533 K HA 0.334 4.669 4.320 0.025 0.000 0.193 533 K C -0.102 176.488 176.600 -0.016 0.000 1.024 533 K CA -0.020 56.188 56.287 -0.131 0.000 1.077 533 K CB -0.057 32.368 32.500 -0.125 0.000 0.833 533 K HN 0.330 nan 8.250 nan 0.000 0.517 534 V N 1.947 121.829 119.914 -0.054 0.000 2.432 534 V HA 0.027 4.162 4.120 0.025 0.000 0.271 534 V C 1.632 177.710 176.094 -0.028 0.000 1.046 534 V CA -0.143 62.153 62.300 -0.008 0.000 0.945 534 V CB 1.482 33.270 31.823 -0.060 0.000 0.992 534 V HN -0.142 nan 8.190 nan 0.000 0.471 535 V N 5.039 124.960 119.914 0.012 0.000 2.488 535 V HA 0.001 4.136 4.120 0.025 0.000 0.246 535 V C 1.317 177.399 176.094 -0.019 0.000 1.046 535 V CA 1.103 63.409 62.300 0.010 0.000 1.053 535 V CB -0.412 31.436 31.823 0.043 0.000 0.679 535 V HN 0.746 nan 8.190 nan 0.000 0.458 536 R N 1.066 121.531 120.500 -0.057 0.000 2.248 536 R HA 0.163 4.518 4.340 0.025 0.000 0.337 536 R C -1.705 174.484 176.300 -0.185 0.000 1.085 536 R CA -1.333 54.708 56.100 -0.099 0.000 0.934 536 R CB 0.582 30.765 30.300 -0.196 0.000 1.034 536 R HN 0.255 nan 8.270 nan 0.000 0.465 537 P HA -0.190 nan 4.420 nan 0.000 0.220 537 P C 0.707 177.969 177.300 -0.064 0.000 1.148 537 P CA 1.098 64.168 63.100 -0.049 0.000 0.803 537 P CB 0.003 31.711 31.700 0.013 0.000 0.782 538 Y N -1.359 118.941 120.300 0.001 0.000 2.333 538 Y HA -0.097 4.468 4.550 0.025 0.000 0.290 538 Y C 1.929 177.835 175.900 0.011 0.000 1.144 538 Y CA 0.759 58.861 58.100 0.003 0.000 1.228 538 Y CB -1.758 36.705 38.460 0.004 0.000 0.985 538 Y HN -0.111 nan 8.280 nan 0.000 0.542 539 I N 0.828 120.973 120.570 -0.709 0.000 2.252 539 I HA -0.231 3.954 4.170 0.025 0.000 0.245 539 I C 2.523 178.546 176.117 -0.157 0.000 1.102 539 I CA 1.308 62.365 61.300 -0.406 0.000 1.385 539 I CB -0.380 37.373 38.000 -0.412 0.000 1.064 539 I HN 0.180 nan 8.210 nan 0.000 0.414 540 R N 0.857 121.256 120.500 -0.168 0.000 2.083 540 R HA -0.199 4.156 4.340 0.025 0.000 0.237 540 R C 2.146 178.394 176.300 -0.086 0.000 1.137 540 R CA 1.596 57.612 56.100 -0.139 0.000 0.951 540 R CB -0.476 29.741 30.300 -0.139 0.000 0.851 540 R HN 0.456 nan 8.270 nan 0.000 0.434 541 E N 0.571 120.742 120.200 -0.048 0.000 2.049 541 E HA -0.218 4.147 4.350 0.025 0.000 0.198 541 E C 2.176 178.781 176.600 0.009 0.000 1.007 541 E CA 1.357 57.751 56.400 -0.009 0.000 0.809 541 E CB -0.113 29.607 29.700 0.032 0.000 0.749 541 E HN 0.293 nan 8.360 nan 0.000 0.450 542 R N 0.338 120.860 120.500 0.036 0.000 2.105 542 R HA -0.132 4.223 4.340 0.025 0.000 0.239 542 R C 2.445 178.775 176.300 0.050 0.000 1.135 542 R CA 1.202 57.338 56.100 0.059 0.000 0.967 542 R CB -0.356 29.999 30.300 0.091 0.000 0.861 542 R HN 0.067 nan 8.270 nan 0.000 0.442 543 V N 0.313 120.251 119.914 0.039 0.000 2.358 543 V HA -0.201 3.934 4.120 0.025 0.000 0.246 543 V C 2.290 178.375 176.094 -0.016 0.000 1.047 543 V CA 1.489 63.829 62.300 0.066 0.000 1.035 543 V CB -0.275 31.602 31.823 0.090 0.000 0.658 543 V HN 0.134 nan 8.190 nan 0.000 0.452 544 V N 0.611 120.487 119.914 -0.064 0.000 2.332 544 V HA -0.332 3.803 4.120 0.025 0.000 0.248 544 V C 2.315 178.369 176.094 -0.068 0.000 1.055 544 V CA 2.538 64.775 62.300 -0.104 0.000 1.038 544 V CB -0.697 31.066 31.823 -0.099 0.000 0.651 544 V HN 0.678 nan 8.190 nan 0.000 0.450 545 D N -0.684 119.710 120.400 -0.010 0.000 2.144 545 D HA -0.207 4.448 4.640 0.025 0.000 0.199 545 D C 2.254 178.627 176.300 0.122 0.000 0.984 545 D CA 1.454 55.478 54.000 0.039 0.000 0.834 545 D CB -0.056 40.789 40.800 0.076 0.000 0.955 545 D HN 0.520 nan 8.370 nan 0.000 0.465 546 Q N -0.359 119.497 119.800 0.094 0.000 2.050 546 Q HA -0.093 4.261 4.340 0.025 0.000 0.202 546 Q C 2.493 178.523 176.000 0.049 0.000 0.980 546 Q CA 0.886 56.760 55.803 0.119 0.000 0.840 546 Q CB -0.123 28.698 28.738 0.139 0.000 0.898 546 Q HN 0.401 nan 8.270 nan 0.000 0.424 547 L N 0.234 121.417 121.223 -0.067 0.000 2.129 547 L HA -0.218 4.137 4.340 0.025 0.000 0.212 547 L C 2.375 179.121 176.870 -0.206 0.000 1.087 547 L CA 0.991 55.706 54.840 -0.208 0.000 0.757 547 L CB -0.676 41.150 42.059 -0.388 0.000 0.896 547 L HN 0.231 nan 8.230 nan 0.000 0.434 548 A N -0.942 121.780 122.820 -0.164 0.000 2.119 548 A HA -0.169 4.166 4.320 0.025 0.000 0.217 548 A C 1.694 179.082 177.584 -0.326 0.000 1.153 548 A CA 1.038 52.938 52.037 -0.228 0.000 0.692 548 A CB -0.676 18.194 19.000 -0.217 0.000 0.799 548 A HN 0.458 nan 8.150 nan 0.000 0.458 549 H N -1.221 117.634 119.070 -0.359 0.000 2.548 549 H HA 0.276 4.847 4.556 0.025 0.000 0.265 549 H C 1.512 176.545 175.328 -0.492 0.000 0.969 549 H CA 0.881 56.575 56.048 -0.591 0.000 1.155 549 H CB 0.093 29.075 29.762 -1.301 0.000 1.394 549 H HN 0.501 nan 8.280 nan 0.000 0.570 550 I N -1.144 119.317 120.570 -0.181 0.000 2.899 550 I HA 0.094 4.279 4.170 0.025 0.000 0.257 550 I C -0.136 175.909 176.117 -0.119 0.000 1.115 550 I CA 0.432 61.699 61.300 -0.055 0.000 1.451 550 I CB 0.695 38.694 38.000 -0.000 0.000 1.251 550 I HN 0.093 nan 8.210 nan 0.000 0.456 551 D N -0.716 119.540 120.400 -0.241 0.000 2.795 551 D HA 0.176 4.831 4.640 0.025 0.000 0.206 551 D C 0.278 176.404 176.300 -0.290 0.000 1.278 551 D CA -0.364 53.474 54.000 -0.270 0.000 0.839 551 D CB 1.266 41.792 40.800 -0.455 0.000 1.700 551 D HN -0.160 nan 8.370 nan 0.000 0.549 552 L N 2.453 123.569 121.223 -0.178 0.000 2.056 552 L HA -0.068 4.287 4.340 0.025 0.000 0.207 552 L C 1.716 178.501 176.870 -0.143 0.000 1.078 552 L CA 1.754 56.503 54.840 -0.152 0.000 0.749 552 L CB -0.834 41.168 42.059 -0.095 0.000 0.901 552 L HN 0.635 nan 8.230 nan 0.000 0.433 553 T N 0.389 114.884 114.554 -0.098 0.000 2.674 553 T HA -0.213 4.152 4.350 0.025 0.000 0.265 553 T C 1.852 176.480 174.700 -0.121 0.000 1.039 553 T CA 1.439 63.524 62.100 -0.025 0.000 1.150 553 T CB -0.402 68.548 68.868 0.136 0.000 0.864 553 T HN 0.190 nan 8.240 nan 0.000 0.427 554 L N 1.701 122.680 121.223 -0.408 0.000 2.013 554 L HA -0.100 4.254 4.340 0.025 0.000 0.212 554 L C 2.578 179.203 176.870 -0.408 0.000 1.073 554 L CA 2.248 56.673 54.840 -0.691 0.000 0.753 554 L CB -1.116 40.092 42.059 -1.419 0.000 0.890 554 L HN 0.234 nan 8.230 nan 0.000 0.432 555 A N -1.262 121.342 122.820 -0.359 0.000 1.877 555 A HA -0.246 4.089 4.320 0.025 0.000 0.216 555 A C 2.218 179.695 177.584 -0.178 0.000 1.186 555 A CA 1.792 53.665 52.037 -0.274 0.000 0.620 555 A CB -0.657 18.202 19.000 -0.235 0.000 0.822 555 A HN 0.686 nan 8.150 nan 0.000 0.443 556 Q N -0.766 118.953 119.800 -0.135 0.000 2.084 556 Q HA -0.131 4.223 4.340 0.025 0.000 0.202 556 Q C 2.422 178.390 176.000 -0.053 0.000 0.978 556 Q CA 1.438 57.193 55.803 -0.080 0.000 0.844 556 Q CB -0.356 28.351 28.738 -0.053 0.000 0.898 556 Q HN 0.697 nan 8.270 nan 0.000 0.426 557 A N 0.102 122.896 122.820 -0.043 0.000 1.898 557 A HA -0.108 4.226 4.320 0.025 0.000 0.216 557 A C 2.296 179.878 177.584 -0.004 0.000 1.181 557 A CA 1.134 53.175 52.037 0.006 0.000 0.620 557 A CB -0.552 18.484 19.000 0.060 0.000 0.819 557 A HN 0.204 nan 8.150 nan 0.000 0.442 558 V N 0.016 119.898 119.914 -0.053 0.000 2.295 558 V HA -0.240 3.894 4.120 0.025 0.000 0.246 558 V C 3.067 179.125 176.094 -0.060 0.000 1.049 558 V CA 1.871 64.138 62.300 -0.056 0.000 1.024 558 V CB -1.314 30.423 31.823 -0.143 0.000 0.648 558 V HN 0.604 nan 8.190 nan 0.000 0.447 559 A N -0.168 122.605 122.820 -0.079 0.000 1.883 559 A HA -0.317 4.018 4.320 0.025 0.000 0.217 559 A C 2.355 179.918 177.584 -0.035 0.000 1.186 559 A CA 2.422 54.421 52.037 -0.063 0.000 0.624 559 A CB -0.572 18.388 19.000 -0.067 0.000 0.822 559 A HN 0.524 nan 8.150 nan 0.000 0.444 560 K N -0.586 119.802 120.400 -0.021 0.000 2.032 560 K HA -0.212 4.122 4.320 0.025 0.000 0.209 560 K C 1.603 178.207 176.600 0.006 0.000 1.048 560 K CA 1.696 57.982 56.287 -0.003 0.000 0.927 560 K CB -0.231 32.274 32.500 0.009 0.000 0.712 560 K HN 0.431 nan 8.250 nan 0.000 0.441 561 N N 0.702 119.410 118.700 0.013 0.000 2.364 561 N HA -0.110 4.645 4.740 0.025 0.000 0.183 561 N C 1.310 176.822 175.510 0.003 0.000 1.022 561 N CA 0.868 53.931 53.050 0.023 0.000 0.883 561 N CB 0.042 38.556 38.487 0.044 0.000 0.965 561 N HN 0.264 nan 8.380 nan 0.000 0.438 562 L N -0.835 120.377 121.223 -0.018 0.000 2.607 562 L HA 0.252 4.607 4.340 0.025 0.000 0.228 562 L C 0.918 177.773 176.870 -0.025 0.000 1.123 562 L CA -0.101 54.719 54.840 -0.034 0.000 0.890 562 L CB -0.135 41.888 42.059 -0.060 0.000 1.103 562 L HN 0.079 nan 8.230 nan 0.000 0.468 563 G N 1.567 110.358 108.800 -0.014 0.000 2.249 563 G HA2 -0.292 3.683 3.960 0.025 0.000 0.273 563 G HA3 -0.292 3.683 3.960 0.025 0.000 0.273 563 G C 0.030 174.921 174.900 -0.014 0.000 1.036 563 G CA 0.180 45.274 45.100 -0.010 0.000 0.824 563 G HN 0.340 nan 8.290 nan 0.000 0.504 564 I N -0.262 120.295 120.570 -0.022 0.000 2.493 564 I HA 0.439 4.624 4.170 0.025 0.000 0.298 564 I C 0.260 176.362 176.117 -0.026 0.000 0.998 564 I CA -0.742 60.543 61.300 -0.025 0.000 1.137 564 I CB 1.923 39.901 38.000 -0.036 0.000 1.310 564 I HN 0.173 nan 8.210 nan 0.000 0.445 565 E N 6.577 126.764 120.200 -0.022 0.000 2.145 565 E HA 0.407 4.772 4.350 0.025 0.000 0.270 565 E C -1.055 175.528 176.600 -0.029 0.000 0.906 565 E CA -0.736 55.650 56.400 -0.023 0.000 0.761 565 E CB 1.297 30.988 29.700 -0.016 0.000 1.116 565 E HN 0.485 nan 8.360 nan 0.000 0.408 566 L N 3.679 124.879 121.223 -0.038 0.000 2.485 566 L HA 0.079 4.434 4.340 0.025 0.000 0.275 566 L C 1.097 177.944 176.870 -0.038 0.000 1.207 566 L CA -0.032 54.781 54.840 -0.047 0.000 0.855 566 L CB 0.223 42.245 42.059 -0.062 0.000 1.114 566 L HN 0.671 nan 8.230 nan 0.000 0.485 567 T N -2.159 112.372 114.554 -0.037 0.000 2.813 567 T HA 0.051 4.416 4.350 0.025 0.000 0.297 567 T C 0.809 175.486 174.700 -0.038 0.000 1.036 567 T CA -0.815 61.266 62.100 -0.031 0.000 1.044 567 T CB 1.040 69.893 68.868 -0.026 0.000 0.993 567 T HN 0.507 nan 8.240 nan 0.000 0.535 568 D N 0.644 121.025 120.400 -0.031 0.000 2.149 568 D HA -0.090 4.565 4.640 0.025 0.000 0.198 568 D C 1.601 177.875 176.300 -0.043 0.000 0.990 568 D CA 1.202 55.182 54.000 -0.034 0.000 0.839 568 D CB -0.300 40.485 40.800 -0.025 0.000 0.948 568 D HN 0.612 nan 8.370 nan 0.000 0.460 569 D N 0.591 120.966 120.400 -0.042 0.000 2.097 569 D HA -0.129 4.526 4.640 0.025 0.000 0.195 569 D C 2.161 178.411 176.300 -0.083 0.000 0.989 569 D CA 0.860 54.830 54.000 -0.051 0.000 0.827 569 D CB -0.282 40.496 40.800 -0.037 0.000 0.966 569 D HN 0.306 nan 8.370 nan 0.000 0.456 570 Q N -0.167 119.580 119.800 -0.087 0.000 2.096 570 Q HA -0.077 4.277 4.340 0.025 0.000 0.204 570 Q C 2.376 178.295 176.000 -0.135 0.000 0.982 570 Q CA 0.702 56.427 55.803 -0.130 0.000 0.850 570 Q CB -0.144 28.531 28.738 -0.104 0.000 0.901 570 Q HN 0.321 nan 8.270 nan 0.000 0.422 571 L N 0.717 121.883 121.223 -0.095 0.000 2.265 571 L HA -0.154 4.201 4.340 0.025 0.000 0.215 571 L C 1.254 178.073 176.870 -0.085 0.000 1.117 571 L CA 0.514 55.303 54.840 -0.084 0.000 0.782 571 L CB -0.172 41.852 42.059 -0.059 0.000 0.914 571 L HN 0.243 nan 8.230 nan 0.000 0.441 572 N N -0.361 118.286 118.700 -0.088 0.000 2.205 572 N HA 0.229 4.983 4.740 0.025 0.000 0.201 572 N C 0.365 175.815 175.510 -0.099 0.000 1.128 572 N CA 0.025 53.029 53.050 -0.077 0.000 0.867 572 N CB 0.514 38.967 38.487 -0.056 0.000 0.996 572 N HN 0.205 nan 8.380 nan 0.000 0.503 573 I N 1.565 122.042 120.570 -0.156 0.000 2.668 573 I HA -0.090 4.095 4.170 0.025 0.000 0.285 573 I C 1.225 177.254 176.117 -0.147 0.000 1.168 573 I CA 0.327 61.503 61.300 -0.206 0.000 1.424 573 I CB 0.402 38.144 38.000 -0.430 0.000 1.377 573 I HN -0.044 nan 8.210 nan 0.000 0.560 574 T N 7.554 122.051 114.554 -0.095 0.000 2.884 574 T HA 0.316 4.681 4.350 0.025 0.000 0.298 574 T C -2.010 172.661 174.700 -0.048 0.000 0.998 574 T CA -1.473 60.595 62.100 -0.054 0.000 1.124 574 T CB 0.833 69.688 68.868 -0.021 0.000 0.931 574 T HN 0.373 nan 8.240 nan 0.000 0.531 575 P HA 0.282 nan 4.420 nan 0.000 0.272 575 P C -2.447 174.874 177.300 0.035 0.000 1.223 575 P CA -1.307 61.785 63.100 -0.013 0.000 0.784 575 P CB -0.376 31.325 31.700 0.001 0.000 0.923 576 P HA 0.275 nan 4.420 nan 0.000 0.274 576 P C -2.546 174.813 177.300 0.097 0.000 1.256 576 P CA -1.476 61.697 63.100 0.122 0.000 0.795 576 P CB -1.032 30.788 31.700 0.201 0.000 1.038 577 P HA 0.121 nan 4.420 nan 0.000 0.272 577 P C -0.282 177.068 177.300 0.084 0.000 1.230 577 P CA 0.090 63.239 63.100 0.081 0.000 0.788 577 P CB 0.094 31.843 31.700 0.082 0.000 0.949 578 D N -0.102 120.340 120.400 0.069 0.000 2.406 578 D HA 0.010 4.665 4.640 0.025 0.000 0.234 578 D C -0.102 176.246 176.300 0.080 0.000 1.196 578 D CA 0.310 54.347 54.000 0.063 0.000 0.881 578 D CB 0.205 41.036 40.800 0.053 0.000 1.205 578 D HN -0.040 nan 8.370 nan 0.000 0.453 579 V N 2.469 122.423 119.914 0.065 0.000 2.348 579 V HA 0.065 4.200 4.120 0.025 0.000 0.270 579 V C 0.266 176.452 176.094 0.153 0.000 1.037 579 V CA -0.556 61.814 62.300 0.116 0.000 0.872 579 V CB 0.023 31.832 31.823 -0.023 0.000 1.002 579 V HN 0.589 nan 8.190 nan 0.000 0.464 580 N N 4.441 123.248 118.700 0.177 0.000 2.707 580 N HA -0.231 4.524 4.740 0.025 0.000 0.253 580 N C 1.175 176.742 175.510 0.095 0.000 0.998 580 N CA 1.109 54.243 53.050 0.139 0.000 0.751 580 N CB -0.878 37.729 38.487 0.200 0.000 0.920 580 N HN 1.321 nan 8.380 nan 0.000 0.539 581 G N -2.721 106.124 108.800 0.075 0.000 2.184 581 G HA2 -0.321 3.654 3.960 0.025 0.000 0.264 581 G HA3 -0.321 3.654 3.960 0.025 0.000 0.264 581 G C -0.039 174.890 174.900 0.048 0.000 0.975 581 G CA 0.226 45.358 45.100 0.053 0.000 0.642 581 G HN 0.345 nan 8.290 nan 0.000 0.536 582 L N 0.141 121.397 121.223 0.055 0.000 2.326 582 L HA 0.553 4.908 4.340 0.025 0.000 0.278 582 L C 1.305 178.191 176.870 0.026 0.000 1.092 582 L CA 0.333 55.196 54.840 0.039 0.000 0.810 582 L CB 1.434 43.518 42.059 0.042 0.000 1.153 582 L HN 0.204 nan 8.230 nan 0.000 0.439 583 K N 2.524 122.934 120.400 0.016 0.000 2.358 583 K HA 0.175 4.509 4.320 0.025 0.000 0.200 583 K C -0.432 176.162 176.600 -0.011 0.000 1.030 583 K CA 0.087 56.380 56.287 0.009 0.000 1.097 583 K CB 0.531 33.036 32.500 0.009 0.000 0.862 583 K HN 0.608 nan 8.250 nan 0.000 0.534 584 K N -0.431 119.958 120.400 -0.018 0.000 2.642 584 K HA 0.277 4.612 4.320 0.025 0.000 0.290 584 K C -2.051 174.533 176.600 -0.026 0.000 1.006 584 K CA -1.036 55.224 56.287 -0.045 0.000 0.869 584 K CB 1.429 33.883 32.500 -0.076 0.000 1.499 584 K HN -0.259 nan 8.250 nan 0.000 0.403 585 D N 1.206 121.586 120.400 -0.034 0.000 2.602 585 D HA 0.314 4.969 4.640 0.025 0.000 0.245 585 D C -2.253 174.035 176.300 -0.019 0.000 1.325 585 D CA -2.031 51.968 54.000 -0.001 0.000 0.952 585 D CB 2.230 43.052 40.800 0.037 0.000 1.317 585 D HN 0.233 nan 8.370 nan 0.000 0.577 586 P HA -0.037 nan 4.420 nan 0.000 0.234 586 P C 1.171 178.466 177.300 -0.008 0.000 1.167 586 P CA 0.606 63.680 63.100 -0.044 0.000 0.763 586 P CB 0.206 31.887 31.700 -0.031 0.000 0.835 587 S N -1.204 114.524 115.700 0.047 0.000 2.515 587 S HA -0.022 4.463 4.470 0.025 0.000 0.231 587 S C 1.654 176.344 174.600 0.150 0.000 0.987 587 S CA 0.604 58.868 58.200 0.107 0.000 0.936 587 S CB -1.301 61.989 63.200 0.150 0.000 0.766 587 S HN 0.142 nan 8.310 nan 0.000 0.528 588 L N 1.203 122.480 121.223 0.090 0.000 2.313 588 L HA 0.155 4.510 4.340 0.025 0.000 0.214 588 L C 1.588 178.378 176.870 -0.132 0.000 1.119 588 L CA 0.271 55.159 54.840 0.080 0.000 0.809 588 L CB -0.410 41.681 42.059 0.053 0.000 0.933 588 L HN 0.310 nan 8.230 nan 0.000 0.449 589 S N -0.321 115.272 115.700 -0.178 0.000 2.584 589 S HA 0.248 4.732 4.470 0.025 0.000 0.273 589 S C 1.139 175.627 174.600 -0.188 0.000 1.311 589 S CA -0.598 57.442 58.200 -0.266 0.000 1.034 589 S CB 1.130 64.173 63.200 -0.261 0.000 0.939 589 S HN 0.166 nan 8.310 nan 0.000 0.513 590 L N 3.462 124.493 121.223 -0.320 0.000 2.141 590 L HA -0.023 4.331 4.340 0.025 0.000 0.209 590 L C 0.883 177.465 176.870 -0.482 0.000 1.094 590 L CA 1.212 55.755 54.840 -0.496 0.000 0.763 590 L CB -0.295 41.185 42.059 -0.964 0.000 0.908 590 L HN 0.759 nan 8.230 nan 0.000 0.437 591 Y N -2.435 117.861 120.300 -0.006 0.000 2.425 591 Y HA 0.325 4.889 4.550 0.025 0.000 0.261 591 Y C 2.184 178.106 175.900 0.037 0.000 1.084 591 Y CA -0.172 57.974 58.100 0.077 0.000 1.248 591 Y CB -0.428 38.111 38.460 0.130 0.000 1.270 591 Y HN -0.069 nan 8.280 nan 0.000 0.524 592 A N 0.566 123.412 122.820 0.043 0.000 2.024 592 A HA -0.055 4.280 4.320 0.025 0.000 0.220 592 A C 0.898 178.514 177.584 0.054 0.000 1.164 592 A CA 1.177 53.214 52.037 -0.001 0.000 0.643 592 A CB -0.677 18.261 19.000 -0.103 0.000 0.806 592 A HN 0.297 nan 8.150 nan 0.000 0.451 593 I N 1.599 122.211 120.570 0.070 0.000 2.390 593 I HA 0.226 4.411 4.170 0.025 0.000 0.283 593 I C -2.360 173.825 176.117 0.114 0.000 1.016 593 I CA -2.230 59.117 61.300 0.079 0.000 1.151 593 I CB 1.667 39.701 38.000 0.057 0.000 1.293 593 I HN 0.072 nan 8.210 nan 0.000 0.458 594 P HA 0.014 nan 4.420 nan 0.000 0.261 594 P C -0.579 176.794 177.300 0.122 0.000 1.183 594 P CA 0.274 63.464 63.100 0.150 0.000 0.761 594 P CB 0.597 32.372 31.700 0.125 0.000 0.785 595 D N 1.166 121.648 120.400 0.136 0.000 2.785 595 D HA 0.152 4.807 4.640 0.025 0.000 0.324 595 D C 0.572 176.933 176.300 0.101 0.000 1.523 595 D CA -0.545 53.517 54.000 0.104 0.000 0.789 595 D CB -0.435 40.423 40.800 0.096 0.000 1.171 595 D HN 0.311 nan 8.370 nan 0.000 0.447 596 G N 0.144 109.012 108.800 0.114 0.000 2.491 596 G HA2 0.353 4.328 3.960 0.025 0.000 0.238 596 G HA3 0.353 4.328 3.960 0.025 0.000 0.238 596 G C -0.620 174.318 174.900 0.064 0.000 1.277 596 G CA -0.057 45.105 45.100 0.102 0.000 0.851 596 G HN 0.214 nan 8.290 nan 0.000 0.573 597 D N 0.686 121.117 120.400 0.051 0.000 2.736 597 D HA 0.168 4.822 4.640 0.025 0.000 0.243 597 D C 0.946 177.259 176.300 0.021 0.000 1.304 597 D CA -0.569 53.447 54.000 0.027 0.000 0.934 597 D CB 1.789 42.599 40.800 0.016 0.000 1.382 597 D HN 0.319 nan 8.370 nan 0.000 0.571 598 V N 1.876 121.796 119.914 0.009 0.000 3.306 598 V HA 0.215 4.350 4.120 0.025 0.000 0.264 598 V C 0.999 177.075 176.094 -0.029 0.000 1.149 598 V CA 0.267 62.567 62.300 -0.000 0.000 1.143 598 V CB -0.729 31.089 31.823 -0.008 0.000 0.767 598 V HN 0.397 nan 8.190 nan 0.000 0.476 599 K N 1.173 121.549 120.400 -0.040 0.000 2.412 599 K HA 0.426 4.761 4.320 0.025 0.000 0.281 599 K C 1.230 177.790 176.600 -0.067 0.000 1.027 599 K CA 0.976 57.217 56.287 -0.077 0.000 0.989 599 K CB 0.270 32.731 32.500 -0.065 0.000 0.935 599 K HN 0.660 nan 8.250 nan 0.000 0.475 600 G N 3.004 111.732 108.800 -0.119 0.000 2.195 600 G HA2 -0.218 3.757 3.960 0.025 0.000 0.246 600 G HA3 -0.218 3.757 3.960 0.025 0.000 0.246 600 G C 0.106 175.061 174.900 0.091 0.000 0.984 600 G CA -0.198 44.913 45.100 0.019 0.000 0.633 600 G HN 0.559 nan 8.290 nan 0.000 0.525 601 R N -0.174 120.343 120.500 0.029 0.000 2.738 601 R HA 0.672 5.027 4.340 0.025 0.000 0.275 601 R C 0.193 176.554 176.300 0.102 0.000 1.121 601 R CA 0.012 56.159 56.100 0.078 0.000 1.207 601 R CB 0.787 31.121 30.300 0.057 0.000 1.141 601 R HN 0.691 nan 8.270 nan 0.000 0.571 602 V N 0.123 120.113 119.914 0.127 0.000 2.925 602 V HA 0.518 4.652 4.120 0.025 0.000 0.311 602 V C -1.169 174.990 176.094 0.108 0.000 1.104 602 V CA -0.737 61.650 62.300 0.145 0.000 0.954 602 V CB 2.592 34.527 31.823 0.186 0.000 1.022 602 V HN 0.344 nan 8.190 nan 0.000 0.427 603 V N 4.966 124.940 119.914 0.099 0.000 2.656 603 V HA 0.813 4.947 4.120 0.025 0.000 0.307 603 V C 0.339 176.488 176.094 0.091 0.000 1.051 603 V CA -0.231 62.116 62.300 0.079 0.000 0.893 603 V CB 1.745 33.599 31.823 0.053 0.000 0.999 603 V HN 1.205 nan 8.190 nan 0.000 0.426 604 A N 5.859 128.741 122.820 0.103 0.000 2.328 604 A HA 0.791 5.126 4.320 0.025 0.000 0.284 604 A C -0.469 177.128 177.584 0.022 0.000 1.160 604 A CA -0.242 51.842 52.037 0.079 0.000 0.818 604 A CB 0.097 19.177 19.000 0.134 0.000 1.087 604 A HN 0.761 nan 8.150 nan 0.000 0.504 605 I N 3.448 124.023 120.570 0.008 0.000 2.355 605 I HA 0.212 4.396 4.170 0.025 0.000 0.288 605 I C -0.606 175.514 176.117 0.005 0.000 0.999 605 I CA -0.238 61.067 61.300 0.009 0.000 1.163 605 I CB 1.427 39.444 38.000 0.028 0.000 1.316 605 I HN 0.484 nan 8.210 nan 0.000 0.454 606 L N 7.243 128.463 121.223 -0.005 0.000 2.295 606 L HA 0.403 4.758 4.340 0.025 0.000 0.288 606 L C 0.108 177.076 176.870 0.164 0.000 1.079 606 L CA -0.401 54.498 54.840 0.099 0.000 0.830 606 L CB 0.166 42.157 42.059 -0.113 0.000 1.200 606 L HN 0.444 nan 8.230 nan 0.000 0.438 607 L N 3.562 124.914 121.223 0.216 0.000 2.464 607 L HA 0.180 4.535 4.340 0.025 0.000 0.264 607 L C 0.253 177.286 176.870 0.271 0.000 1.199 607 L CA -0.142 54.779 54.840 0.135 0.000 0.818 607 L CB 0.646 42.683 42.059 -0.037 0.000 1.102 607 L HN 0.720 nan 8.230 nan 0.000 0.473 608 N N -1.761 117.003 118.700 0.106 0.000 2.701 608 N HA 0.228 4.982 4.740 0.025 0.000 0.290 608 N C -0.288 175.177 175.510 -0.076 0.000 1.338 608 N CA -0.768 52.386 53.050 0.172 0.000 0.799 608 N CB 0.617 39.207 38.487 0.172 0.000 1.491 608 N HN 0.530 nan 8.380 nan 0.000 0.540 609 D N -1.771 118.637 120.400 0.013 0.000 2.363 609 D HA -0.051 4.603 4.640 0.025 0.000 0.226 609 D C -0.471 175.794 176.300 -0.058 0.000 1.020 609 D CA 0.723 54.674 54.000 -0.081 0.000 0.892 609 D CB -0.080 40.750 40.800 0.049 0.000 0.900 609 D HN 0.726 nan 8.370 nan 0.000 0.531 610 E N 0.477 120.657 120.200 -0.032 0.000 3.011 610 E HA 0.204 4.569 4.350 0.025 0.000 0.315 610 E C -1.369 175.218 176.600 -0.022 0.000 1.176 610 E CA -0.340 56.043 56.400 -0.028 0.000 0.819 610 E CB 1.174 30.867 29.700 -0.012 0.000 1.508 610 E HN -0.127 nan 8.360 nan 0.000 0.381 611 V N 2.395 122.288 119.914 -0.035 0.000 2.686 611 V HA 0.182 4.317 4.120 0.025 0.000 0.295 611 V C 0.872 176.950 176.094 -0.026 0.000 1.055 611 V CA -0.129 62.156 62.300 -0.024 0.000 1.050 611 V CB 1.190 32.992 31.823 -0.035 0.000 0.984 611 V HN 0.486 nan 8.190 nan 0.000 0.482 612 R N 2.895 123.381 120.500 -0.024 0.000 2.402 612 R HA 0.030 4.385 4.340 0.025 0.000 0.331 612 R C 1.536 177.815 176.300 -0.036 0.000 1.040 612 R CA 0.488 56.569 56.100 -0.032 0.000 0.980 612 R CB 0.381 30.657 30.300 -0.040 0.000 0.967 612 R HN 1.007 nan 8.270 nan 0.000 0.440 613 S N 3.450 119.130 115.700 -0.032 0.000 2.399 613 S HA -0.203 4.282 4.470 0.025 0.000 0.231 613 S C 1.990 176.571 174.600 -0.032 0.000 1.022 613 S CA 0.887 59.069 58.200 -0.030 0.000 0.983 613 S CB -0.093 63.090 63.200 -0.027 0.000 0.803 613 S HN 0.689 nan 8.310 nan 0.000 0.480 614 A N 2.187 124.986 122.820 -0.036 0.000 1.933 614 A HA -0.127 4.207 4.320 0.025 0.000 0.218 614 A C 1.974 179.526 177.584 -0.053 0.000 1.175 614 A CA 1.715 53.728 52.037 -0.040 0.000 0.628 614 A CB -0.816 18.159 19.000 -0.042 0.000 0.814 614 A HN 0.476 nan 8.150 nan 0.000 0.444 615 D N -0.290 120.069 120.400 -0.069 0.000 2.097 615 D HA -0.105 4.550 4.640 0.025 0.000 0.197 615 D C 1.925 178.189 176.300 -0.059 0.000 0.984 615 D CA 0.811 54.752 54.000 -0.100 0.000 0.826 615 D CB -0.334 40.394 40.800 -0.120 0.000 0.973 615 D HN 0.352 nan 8.370 nan 0.000 0.460 616 L N 0.499 121.700 121.223 -0.037 0.000 2.093 616 L HA -0.107 4.248 4.340 0.025 0.000 0.208 616 L C 2.366 179.231 176.870 -0.009 0.000 1.085 616 L CA 0.694 55.525 54.840 -0.016 0.000 0.755 616 L CB -0.195 41.854 42.059 -0.016 0.000 0.904 616 L HN 0.090 nan 8.230 nan 0.000 0.435 617 L N -0.514 120.700 121.223 -0.015 0.000 2.046 617 L HA -0.222 4.133 4.340 0.025 0.000 0.208 617 L C 2.821 179.690 176.870 -0.002 0.000 1.077 617 L CA 1.312 56.147 54.840 -0.008 0.000 0.747 617 L CB -0.667 41.385 42.059 -0.012 0.000 0.896 617 L HN 0.291 nan 8.230 nan 0.000 0.432 618 A N 0.229 123.043 122.820 -0.009 0.000 1.877 618 A HA -0.182 4.152 4.320 0.025 0.000 0.216 618 A C 2.175 179.777 177.584 0.029 0.000 1.186 618 A CA 1.538 53.576 52.037 0.002 0.000 0.620 618 A CB -0.627 18.361 19.000 -0.020 0.000 0.822 618 A HN 0.342 nan 8.150 nan 0.000 0.443 619 I N -0.368 120.222 120.570 0.033 0.000 2.142 619 I HA -0.262 3.923 4.170 0.025 0.000 0.240 619 I C 2.402 178.548 176.117 0.048 0.000 1.078 619 I CA 1.287 62.630 61.300 0.070 0.000 1.343 619 I CB -0.378 37.667 38.000 0.076 0.000 1.046 619 I HN 0.274 nan 8.210 nan 0.000 0.405 620 L N 0.303 121.545 121.223 0.031 0.000 2.093 620 L HA -0.196 4.159 4.340 0.025 0.000 0.208 620 L C 2.568 179.450 176.870 0.019 0.000 1.085 620 L CA 1.349 56.204 54.840 0.025 0.000 0.755 620 L CB -0.519 41.552 42.059 0.020 0.000 0.904 620 L HN 0.198 nan 8.230 nan 0.000 0.435 621 K N 0.127 120.537 120.400 0.016 0.000 2.155 621 K HA -0.082 4.253 4.320 0.025 0.000 0.203 621 K C 2.175 178.782 176.600 0.011 0.000 1.052 621 K CA 0.923 57.217 56.287 0.011 0.000 0.948 621 K CB 0.026 32.531 32.500 0.009 0.000 0.728 621 K HN 0.254 nan 8.250 nan 0.000 0.448 622 A N 1.295 124.128 122.820 0.021 0.000 1.902 622 A HA -0.138 4.197 4.320 0.025 0.000 0.217 622 A C 2.029 179.617 177.584 0.007 0.000 1.181 622 A CA 1.187 53.236 52.037 0.021 0.000 0.623 622 A CB -0.579 18.446 19.000 0.042 0.000 0.818 622 A HN 0.245 nan 8.150 nan 0.000 0.443 623 L N -0.681 120.547 121.223 0.008 0.000 1.994 623 L HA -0.204 4.151 4.340 0.025 0.000 0.208 623 L C 2.690 179.540 176.870 -0.035 0.000 1.071 623 L CA 1.739 56.571 54.840 -0.012 0.000 0.745 623 L CB -0.568 41.491 42.059 0.000 0.000 0.892 623 L HN 0.336 nan 8.230 nan 0.000 0.431 624 K N 0.676 121.065 120.400 -0.019 0.000 2.074 624 K HA -0.227 4.108 4.320 0.025 0.000 0.209 624 K C 2.007 178.588 176.600 -0.031 0.000 1.048 624 K CA 1.793 58.065 56.287 -0.024 0.000 0.926 624 K CB -0.168 32.331 32.500 -0.002 0.000 0.713 624 K HN 0.322 nan 8.250 nan 0.000 0.444 625 A N 0.852 123.660 122.820 -0.020 0.000 2.067 625 A HA -0.089 4.246 4.320 0.025 0.000 0.219 625 A C 1.616 179.183 177.584 -0.027 0.000 1.158 625 A CA 1.245 53.272 52.037 -0.018 0.000 0.661 625 A CB -0.029 18.967 19.000 -0.007 0.000 0.801 625 A HN 0.142 nan 8.150 nan 0.000 0.452 626 K N -1.399 118.978 120.400 -0.039 0.000 2.373 626 K HA 0.231 4.566 4.320 0.025 0.000 0.202 626 K C 0.949 177.500 176.600 -0.082 0.000 1.025 626 K CA 0.583 56.841 56.287 -0.047 0.000 1.115 626 K CB 0.083 32.561 32.500 -0.037 0.000 0.858 626 K HN 0.702 nan 8.250 nan 0.000 0.525 627 G N 1.382 110.115 108.800 -0.111 0.000 2.147 627 G HA2 -0.234 3.741 3.960 0.025 0.000 0.244 627 G HA3 -0.234 3.741 3.960 0.025 0.000 0.244 627 G C 0.050 174.743 174.900 -0.346 0.000 1.005 627 G CA 0.232 45.218 45.100 -0.190 0.000 0.713 627 G HN 0.114 nan 8.290 nan 0.000 0.515 628 V N 1.048 120.804 119.914 -0.264 0.000 2.432 628 V HA 0.491 4.626 4.120 0.025 0.000 0.275 628 V C 0.784 176.708 176.094 -0.284 0.000 1.043 628 V CA -0.704 61.440 62.300 -0.260 0.000 0.925 628 V CB 0.993 32.757 31.823 -0.099 0.000 0.985 628 V HN 0.446 nan 8.190 nan 0.000 0.466 629 H N 1.941 121.021 119.070 0.017 0.000 2.508 629 H HA 0.779 5.350 4.556 0.025 0.000 0.358 629 H C 0.221 175.567 175.328 0.030 0.000 1.212 629 H CA 0.126 56.186 56.048 0.020 0.000 1.356 629 H CB 1.217 30.992 29.762 0.021 0.000 1.525 629 H HN 0.847 nan 8.280 nan 0.000 0.578 630 A N 0.949 123.870 122.820 0.169 0.000 2.454 630 A HA 0.557 4.892 4.320 0.025 0.000 0.302 630 A C -1.180 176.458 177.584 0.090 0.000 1.079 630 A CA -1.048 51.052 52.037 0.105 0.000 0.731 630 A CB 1.233 20.276 19.000 0.072 0.000 1.299 630 A HN 0.794 nan 8.150 nan 0.000 0.413 631 K N 2.271 122.716 120.400 0.075 0.000 2.502 631 K HA 0.635 4.970 4.320 0.025 0.000 0.254 631 K C -1.541 175.080 176.600 0.035 0.000 0.947 631 K CA -0.473 55.848 56.287 0.057 0.000 0.834 631 K CB 1.278 33.820 32.500 0.071 0.000 1.112 631 K HN 0.516 nan 8.250 nan 0.000 0.427 632 L N 5.215 126.449 121.223 0.019 0.000 2.369 632 L HA 0.286 4.641 4.340 0.025 0.000 0.279 632 L C -0.328 176.533 176.870 -0.014 0.000 1.108 632 L CA -0.486 54.355 54.840 0.003 0.000 0.852 632 L CB 0.030 42.084 42.059 -0.008 0.000 1.169 632 L HN 0.534 nan 8.230 nan 0.000 0.452 633 L N 3.871 125.084 121.223 -0.017 0.000 2.330 633 L HA 0.596 4.951 4.340 0.025 0.000 0.271 633 L C -0.756 176.015 176.870 -0.164 0.000 1.013 633 L CA -0.758 54.020 54.840 -0.103 0.000 0.816 633 L CB 1.958 43.965 42.059 -0.087 0.000 1.287 633 L HN 0.407 nan 8.230 nan 0.000 0.435 634 Y N -0.473 119.382 120.300 -0.742 0.000 2.900 634 Y HA 0.186 4.751 4.550 0.025 0.000 0.318 634 Y C 0.777 175.897 175.900 -1.299 0.000 1.457 634 Y CA -0.754 56.799 58.100 -0.911 0.000 1.082 634 Y CB 1.515 39.777 38.460 -0.330 0.000 1.419 634 Y HN 0.544 nan 8.280 nan 0.000 0.459 635 S N 0.482 115.315 115.700 -1.446 0.000 2.558 635 S HA 0.275 4.759 4.470 0.025 0.000 0.217 635 S C 0.009 174.338 174.600 -0.452 0.000 0.975 635 S CA 0.263 57.999 58.200 -0.773 0.000 0.912 635 S CB -0.095 62.787 63.200 -0.530 0.000 0.776 635 S HN 0.596 nan 8.310 nan 0.000 0.526 636 R N -1.091 119.192 120.500 -0.362 0.000 2.795 636 R HA 0.647 5.002 4.340 0.025 0.000 0.268 636 R C -0.749 175.537 176.300 -0.023 0.000 1.041 636 R CA -1.106 54.923 56.100 -0.118 0.000 0.927 636 R CB 0.480 30.753 30.300 -0.044 0.000 1.235 636 R HN -0.084 nan 8.270 nan 0.000 0.463 637 M N 0.161 119.754 119.600 -0.012 0.000 2.114 637 M HA 0.498 4.993 4.480 0.025 0.000 0.280 637 M C 0.994 177.310 176.300 0.026 0.000 1.209 637 M CA 0.925 56.227 55.300 0.003 0.000 1.044 637 M CB 0.536 33.131 32.600 -0.009 0.000 1.404 637 M HN 1.052 nan 8.290 nan 0.000 0.499 638 G N 0.980 109.787 108.800 0.011 0.000 2.826 638 G HA2 -0.132 3.843 3.960 0.025 0.000 0.233 638 G HA3 -0.132 3.843 3.960 0.025 0.000 0.233 638 G C -0.850 174.045 174.900 -0.008 0.000 1.296 638 G CA -0.441 44.662 45.100 0.005 0.000 1.001 638 G HN 0.636 nan 8.290 nan 0.000 0.576 639 E N -0.791 119.399 120.200 -0.017 0.000 2.393 639 E HA 0.620 4.985 4.350 0.025 0.000 0.273 639 E C -0.376 176.166 176.600 -0.096 0.000 0.918 639 E CA -0.538 55.831 56.400 -0.052 0.000 0.773 639 E CB 2.977 32.652 29.700 -0.041 0.000 1.275 639 E HN 1.249 nan 8.360 nan 0.000 0.451 640 V N -1.860 117.959 119.914 -0.159 0.000 3.074 640 V HA 0.742 4.877 4.120 0.025 0.000 0.314 640 V C -0.539 175.477 176.094 -0.131 0.000 1.117 640 V CA -0.650 61.528 62.300 -0.203 0.000 1.014 640 V CB 1.997 33.566 31.823 -0.424 0.000 1.057 640 V HN 0.640 nan 8.190 nan 0.000 0.438 641 T N 2.293 116.784 114.554 -0.106 0.000 2.792 641 T HA 0.791 5.155 4.350 0.025 0.000 0.280 641 T C 0.217 174.878 174.700 -0.066 0.000 0.990 641 T CA 0.222 62.280 62.100 -0.070 0.000 0.960 641 T CB 1.319 70.159 68.868 -0.047 0.000 0.939 641 T HN 1.357 nan 8.240 nan 0.000 0.439 642 A N 2.379 125.166 122.820 -0.056 0.000 2.296 642 A HA 0.386 4.721 4.320 0.025 0.000 0.264 642 A C 1.629 179.192 177.584 -0.035 0.000 1.097 642 A CA -0.371 51.638 52.037 -0.047 0.000 0.811 642 A CB 0.062 19.038 19.000 -0.041 0.000 1.072 642 A HN 0.936 nan 8.150 nan 0.000 0.495 643 D N 0.463 120.845 120.400 -0.030 0.000 2.191 643 D HA -0.261 4.394 4.640 0.025 0.000 0.195 643 D C 0.700 176.987 176.300 -0.021 0.000 1.003 643 D CA 2.011 55.997 54.000 -0.023 0.000 0.867 643 D CB -0.323 40.464 40.800 -0.022 0.000 0.926 643 D HN 0.643 nan 8.370 nan 0.000 0.450 644 D N -1.677 118.710 120.400 -0.022 0.000 2.340 644 D HA 0.202 4.857 4.640 0.025 0.000 0.217 644 D C 1.610 177.899 176.300 -0.019 0.000 1.081 644 D CA 0.517 54.505 54.000 -0.019 0.000 0.842 644 D CB 0.003 40.792 40.800 -0.019 0.000 0.934 644 D HN 0.445 nan 8.370 nan 0.000 0.511 645 G N 0.095 108.882 108.800 -0.022 0.000 2.175 645 G HA2 -0.260 3.715 3.960 0.025 0.000 0.244 645 G HA3 -0.260 3.715 3.960 0.025 0.000 0.244 645 G C 0.395 175.281 174.900 -0.024 0.000 0.982 645 G CA 0.252 45.339 45.100 -0.022 0.000 0.641 645 G HN 0.434 nan 8.290 nan 0.000 0.527 646 T N 1.346 115.885 114.554 -0.025 0.000 2.888 646 T HA 0.421 4.785 4.350 0.025 0.000 0.301 646 T C 0.680 175.360 174.700 -0.034 0.000 1.001 646 T CA 0.037 62.121 62.100 -0.026 0.000 1.147 646 T CB 2.212 71.065 68.868 -0.025 0.000 0.931 646 T HN 0.472 nan 8.240 nan 0.000 0.541 647 V N 5.229 125.125 119.914 -0.031 0.000 2.432 647 V HA 0.194 4.329 4.120 0.025 0.000 0.271 647 V C -0.139 175.931 176.094 -0.040 0.000 1.046 647 V CA -0.695 61.583 62.300 -0.037 0.000 0.945 647 V CB 0.692 32.498 31.823 -0.028 0.000 0.992 647 V HN 0.557 nan 8.190 nan 0.000 0.471 648 L N 9.101 130.290 121.223 -0.057 0.000 2.276 648 L HA 0.515 4.869 4.340 0.025 0.000 0.286 648 L C -2.043 174.791 176.870 -0.060 0.000 1.024 648 L CA -2.448 52.357 54.840 -0.059 0.000 0.826 648 L CB 1.449 43.460 42.059 -0.081 0.000 1.211 648 L HN 0.435 nan 8.230 nan 0.000 0.422 649 P HA 0.287 nan 4.420 nan 0.000 0.280 649 P C -0.441 176.840 177.300 -0.032 0.000 1.244 649 P CA -0.301 62.781 63.100 -0.031 0.000 0.784 649 P CB 1.330 33.020 31.700 -0.017 0.000 0.913 650 I N 2.394 122.946 120.570 -0.030 0.000 2.331 650 I HA 0.230 4.415 4.170 0.025 0.000 0.292 650 I C 1.575 177.682 176.117 -0.017 0.000 0.998 650 I CA -0.478 60.807 61.300 -0.026 0.000 1.267 650 I CB 1.571 39.563 38.000 -0.014 0.000 1.386 650 I HN 0.361 nan 8.210 nan 0.000 0.476 651 A N 5.225 128.037 122.820 -0.015 0.000 1.930 651 A HA 0.569 4.904 4.320 0.025 0.000 0.215 651 A C 0.956 178.535 177.584 -0.008 0.000 1.176 651 A CA 1.219 53.253 52.037 -0.005 0.000 0.632 651 A CB 0.025 19.030 19.000 0.008 0.000 0.819 651 A HN 0.828 nan 8.150 nan 0.000 0.445 652 A N -2.082 120.723 122.820 -0.026 0.000 2.567 652 A HA 0.551 4.885 4.320 0.025 0.000 0.291 652 A C -0.057 177.468 177.584 -0.098 0.000 1.048 652 A CA 0.049 52.067 52.037 -0.032 0.000 0.661 652 A CB -0.333 18.674 19.000 0.011 0.000 1.288 652 A HN 0.814 nan 8.150 nan 0.000 0.424 653 T N -1.315 113.176 114.554 -0.105 0.000 2.849 653 T HA 0.533 4.898 4.350 0.025 0.000 0.284 653 T C 0.977 175.608 174.700 -0.113 0.000 1.004 653 T CA 0.176 62.147 62.100 -0.216 0.000 1.021 653 T CB 0.010 68.792 68.868 -0.142 0.000 1.013 653 T HN 0.499 nan 8.240 nan 0.000 0.527 654 F N 0.685 120.650 119.950 0.025 0.000 2.120 654 F HA -0.031 4.511 4.527 0.025 0.000 0.300 654 F C 2.902 178.829 175.800 0.211 0.000 1.095 654 F CA 1.152 59.210 58.000 0.097 0.000 1.249 654 F CB -0.642 38.399 39.000 0.070 0.000 0.995 654 F HN 0.710 nan 8.300 nan 0.000 0.480 655 A N 0.077 123.063 122.820 0.277 0.000 2.021 655 A HA 0.117 4.452 4.320 0.025 0.000 0.216 655 A C 2.399 180.055 177.584 0.120 0.000 1.163 655 A CA 1.193 53.338 52.037 0.181 0.000 0.676 655 A CB -1.290 17.776 19.000 0.111 0.000 0.818 655 A HN 0.380 nan 8.150 nan 0.000 0.453 656 G N -0.812 108.044 108.800 0.094 0.000 2.448 656 G HA2 0.278 4.253 3.960 0.025 0.000 0.218 656 G HA3 0.278 4.253 3.960 0.025 0.000 0.218 656 G C 0.684 175.635 174.900 0.086 0.000 1.135 656 G CA 0.949 46.087 45.100 0.062 0.000 0.784 656 G HN 1.026 nan 8.290 nan 0.000 0.543 657 A N 0.754 123.660 122.820 0.144 0.000 3.258 657 A HA 0.689 5.024 4.320 0.025 0.000 0.318 657 A C -2.672 175.077 177.584 0.275 0.000 0.990 657 A CA -1.106 51.033 52.037 0.170 0.000 0.885 657 A CB 1.099 20.189 19.000 0.151 0.000 1.090 657 A HN 0.111 nan 8.150 nan 0.000 0.479 658 P HA 0.056 nan 4.420 nan 0.000 0.271 658 P C 1.333 178.502 177.300 -0.219 0.000 1.233 658 P CA 0.313 63.401 63.100 -0.020 0.000 0.789 658 P CB 0.767 32.426 31.700 -0.069 0.000 0.951 659 S N 0.834 116.038 115.700 -0.826 0.000 2.465 659 S HA -0.147 4.338 4.470 0.025 0.000 0.241 659 S C 1.741 176.191 174.600 -0.251 0.000 1.000 659 S CA 0.981 58.803 58.200 -0.631 0.000 0.964 659 S CB -1.362 61.333 63.200 -0.841 0.000 0.763 659 S HN 0.348 nan 8.310 nan 0.000 0.512 660 L N 1.825 122.908 121.223 -0.233 0.000 2.189 660 L HA -0.098 4.257 4.340 0.025 0.000 0.214 660 L C 2.906 179.602 176.870 -0.290 0.000 1.097 660 L CA 1.621 56.320 54.840 -0.235 0.000 0.764 660 L CB -1.361 40.535 42.059 -0.271 0.000 0.900 660 L HN 0.644 nan 8.230 nan 0.000 0.436 661 T N -3.381 111.079 114.554 -0.157 0.000 3.107 661 T HA 0.227 4.592 4.350 0.025 0.000 0.249 661 T C 0.391 175.185 174.700 0.157 0.000 1.096 661 T CA 0.143 62.227 62.100 -0.026 0.000 1.012 661 T CB -0.278 68.672 68.868 0.137 0.000 0.977 661 T HN 0.146 nan 8.240 nan 0.000 0.527 662 V N -2.467 117.499 119.914 0.086 0.000 3.113 662 V HA 0.575 4.710 4.120 0.025 0.000 0.316 662 V C -0.108 176.030 176.094 0.073 0.000 1.125 662 V CA -0.959 61.416 62.300 0.126 0.000 1.026 662 V CB 2.107 34.020 31.823 0.150 0.000 1.080 662 V HN 0.007 nan 8.190 nan 0.000 0.444 663 D N 0.937 121.384 120.400 0.078 0.000 2.367 663 D HA 0.502 5.157 4.640 0.025 0.000 0.207 663 D C 0.541 176.825 176.300 -0.025 0.000 1.034 663 D CA 1.452 55.471 54.000 0.032 0.000 0.861 663 D CB 1.476 42.318 40.800 0.069 0.000 0.943 663 D HN 1.001 nan 8.370 nan 0.000 0.515 664 A N 0.038 122.859 122.820 0.003 0.000 2.567 664 A HA 0.515 4.850 4.320 0.025 0.000 0.291 664 A C -1.675 175.925 177.584 0.027 0.000 1.048 664 A CA -0.577 51.448 52.037 -0.020 0.000 0.661 664 A CB 1.309 20.284 19.000 -0.041 0.000 1.288 664 A HN -0.104 nan 8.150 nan 0.000 0.424 665 V N 0.890 120.813 119.914 0.014 0.000 2.709 665 V HA 0.621 4.756 4.120 0.025 0.000 0.308 665 V C -0.721 175.378 176.094 0.008 0.000 1.062 665 V CA -0.252 62.072 62.300 0.040 0.000 0.901 665 V CB 1.657 33.525 31.823 0.074 0.000 1.003 665 V HN 0.727 nan 8.190 nan 0.000 0.425 666 I N 3.763 124.345 120.570 0.020 0.000 2.545 666 I HA 0.602 4.786 4.170 0.025 0.000 0.292 666 I C -0.982 175.157 176.117 0.036 0.000 1.040 666 I CA -1.006 60.330 61.300 0.060 0.000 1.068 666 I CB 2.376 40.441 38.000 0.109 0.000 1.251 666 I HN 0.279 nan 8.210 nan 0.000 0.424 667 V N 7.074 127.024 119.914 0.060 0.000 2.376 667 V HA 0.373 4.508 4.120 0.025 0.000 0.287 667 V C -2.201 173.945 176.094 0.087 0.000 1.015 667 V CA -1.572 60.751 62.300 0.038 0.000 0.834 667 V CB 1.531 33.344 31.823 -0.017 0.000 1.001 667 V HN 0.559 nan 8.190 nan 0.000 0.428 668 P HA 0.400 nan 4.420 nan 0.000 0.276 668 P C -0.238 177.081 177.300 0.030 0.000 1.244 668 P CA -0.200 62.913 63.100 0.022 0.000 0.801 668 P CB 1.278 32.983 31.700 0.008 0.000 1.006 669 A N 0.946 123.760 122.820 -0.009 0.000 2.366 669 A HA 0.633 4.968 4.320 0.025 0.000 0.250 669 A C 0.830 178.419 177.584 0.009 0.000 1.099 669 A CA 0.813 52.851 52.037 0.002 0.000 0.794 669 A CB -0.860 18.122 19.000 -0.030 0.000 1.056 669 A HN 0.854 nan 8.150 nan 0.000 0.499 670 G N -0.632 108.175 108.800 0.012 0.000 2.366 670 G HA2 -0.027 3.947 3.960 0.025 0.000 0.190 670 G HA3 -0.027 3.947 3.960 0.025 0.000 0.190 670 G C -0.296 174.613 174.900 0.015 0.000 1.299 670 G CA -0.141 44.964 45.100 0.008 0.000 1.056 670 G HN 1.000 nan 8.290 nan 0.000 0.468 671 N N 1.479 120.192 118.700 0.022 0.000 2.892 671 N HA 0.084 4.839 4.740 0.025 0.000 0.300 671 N C 1.388 176.927 175.510 0.048 0.000 1.211 671 N CA -0.528 52.538 53.050 0.027 0.000 1.158 671 N CB -0.179 38.327 38.487 0.031 0.000 1.455 671 N HN 0.357 nan 8.380 nan 0.000 0.524 672 I N 1.657 122.244 120.570 0.029 0.000 2.454 672 I HA -0.207 3.978 4.170 0.025 0.000 0.254 672 I C 2.345 178.453 176.117 -0.015 0.000 1.156 672 I CA 0.726 62.041 61.300 0.025 0.000 1.433 672 I CB -1.317 36.668 38.000 -0.024 0.000 1.082 672 I HN 0.460 nan 8.210 nan 0.000 0.432 673 A N 0.472 123.278 122.820 -0.023 0.000 2.070 673 A HA -0.256 4.079 4.320 0.025 0.000 0.220 673 A C 2.018 179.612 177.584 0.017 0.000 1.159 673 A CA 1.787 53.806 52.037 -0.029 0.000 0.656 673 A CB -0.667 18.317 19.000 -0.027 0.000 0.800 673 A HN 0.412 nan 8.150 nan 0.000 0.453 674 D N 0.374 120.812 120.400 0.063 0.000 2.149 674 D HA -0.164 4.491 4.640 0.025 0.000 0.198 674 D C 1.461 177.842 176.300 0.135 0.000 0.990 674 D CA 1.826 55.895 54.000 0.115 0.000 0.839 674 D CB -0.156 40.750 40.800 0.176 0.000 0.948 674 D HN 0.664 nan 8.370 nan 0.000 0.460 675 I N -4.568 116.091 120.570 0.148 0.000 4.338 675 I HA 0.500 4.684 4.170 0.025 0.000 0.329 675 I C 1.704 177.915 176.117 0.155 0.000 1.378 675 I CA -0.159 61.249 61.300 0.180 0.000 1.170 675 I CB 0.230 38.393 38.000 0.272 0.000 1.206 675 I HN -0.100 nan 8.210 nan 0.000 0.432 676 A N 1.236 124.059 122.820 0.005 0.000 2.070 676 A HA -0.112 4.222 4.320 0.025 0.000 0.220 676 A C 1.521 179.067 177.584 -0.062 0.000 1.159 676 A CA 1.830 53.750 52.037 -0.194 0.000 0.656 676 A CB -0.404 18.414 19.000 -0.305 0.000 0.800 676 A HN 0.508 nan 8.150 nan 0.000 0.453 677 D N -0.845 119.552 120.400 -0.006 0.000 2.431 677 D HA 0.029 4.684 4.640 0.025 0.000 0.213 677 D C -0.088 176.230 176.300 0.029 0.000 1.130 677 D CA -0.175 53.827 54.000 0.004 0.000 0.834 677 D CB -0.122 40.674 40.800 -0.007 0.000 0.985 677 D HN 0.321 nan 8.370 nan 0.000 0.504 678 N N 1.194 119.923 118.700 0.050 0.000 2.405 678 N HA 0.024 4.779 4.740 0.025 0.000 0.260 678 N C 1.392 176.925 175.510 0.040 0.000 1.152 678 N CA 0.048 53.126 53.050 0.046 0.000 0.948 678 N CB 1.410 39.931 38.487 0.056 0.000 1.111 678 N HN -0.003 nan 8.380 nan 0.000 0.485 679 G N 3.555 112.380 108.800 0.042 0.000 2.469 679 G HA2 -0.293 3.682 3.960 0.025 0.000 0.219 679 G HA3 -0.293 3.682 3.960 0.025 0.000 0.219 679 G C 0.974 175.916 174.900 0.070 0.000 1.150 679 G CA 0.702 45.831 45.100 0.049 0.000 0.763 679 G HN 0.599 nan 8.290 nan 0.000 0.561 680 D N 0.874 121.317 120.400 0.071 0.000 2.117 680 D HA -0.004 4.651 4.640 0.025 0.000 0.197 680 D C 2.833 179.112 176.300 -0.035 0.000 0.987 680 D CA 1.240 55.310 54.000 0.116 0.000 0.829 680 D CB -0.565 40.370 40.800 0.224 0.000 0.961 680 D HN 0.315 nan 8.370 nan 0.000 0.460 681 A N 1.357 123.975 122.820 -0.336 0.000 1.858 681 A HA -0.214 4.121 4.320 0.025 0.000 0.216 681 A C 2.013 179.423 177.584 -0.291 0.000 1.190 681 A CA 1.453 53.094 52.037 -0.661 0.000 0.617 681 A CB -0.602 17.956 19.000 -0.736 0.000 0.827 681 A HN 0.161 nan 8.150 nan 0.000 0.443 682 N N -1.374 117.297 118.700 -0.047 0.000 2.043 682 N HA -0.225 4.530 4.740 0.025 0.000 0.193 682 N C 1.726 177.238 175.510 0.003 0.000 1.037 682 N CA 1.969 55.041 53.050 0.036 0.000 0.851 682 N CB -0.583 37.982 38.487 0.129 0.000 1.027 682 N HN 0.688 nan 8.380 nan 0.000 0.422 683 Y N 0.589 120.860 120.300 -0.048 0.000 2.256 683 Y HA -0.289 4.275 4.550 0.025 0.000 0.288 683 Y C 2.423 178.279 175.900 -0.074 0.000 1.155 683 Y CA 1.259 59.327 58.100 -0.054 0.000 1.203 683 Y CB -0.334 38.100 38.460 -0.043 0.000 0.980 683 Y HN 0.053 nan 8.280 nan 0.000 0.530 684 Y N 0.295 120.473 120.300 -0.204 0.000 2.114 684 Y HA -0.327 4.238 4.550 0.025 0.000 0.282 684 Y C 2.058 177.764 175.900 -0.322 0.000 1.165 684 Y CA 2.184 60.135 58.100 -0.249 0.000 1.148 684 Y CB -0.456 37.867 38.460 -0.229 0.000 0.972 684 Y HN 0.112 nan 8.280 nan 0.000 0.504 685 L N -1.261 119.878 121.223 -0.140 0.000 2.109 685 L HA -0.225 4.130 4.340 0.025 0.000 0.207 685 L C 2.400 179.145 176.870 -0.207 0.000 1.086 685 L CA 1.163 55.904 54.840 -0.164 0.000 0.760 685 L CB -0.486 41.444 42.059 -0.215 0.000 0.910 685 L HN 0.277 nan 8.230 nan 0.000 0.437 686 M N -0.498 118.922 119.600 -0.300 0.000 2.099 686 M HA -0.219 4.275 4.480 0.025 0.000 0.262 686 M C 2.281 178.317 176.300 -0.440 0.000 1.067 686 M CA 1.707 56.823 55.300 -0.306 0.000 1.124 686 M CB -0.330 32.092 32.600 -0.296 0.000 1.353 686 M HN 0.200 nan 8.290 nan 0.000 0.410 687 E N 0.464 120.193 120.200 -0.786 0.000 2.038 687 E HA -0.220 4.145 4.350 0.025 0.000 0.195 687 E C 1.974 178.195 176.600 -0.631 0.000 1.000 687 E CA 1.474 57.384 56.400 -0.817 0.000 0.803 687 E CB -0.023 29.163 29.700 -0.857 0.000 0.750 687 E HN 0.481 nan 8.360 nan 0.000 0.448 688 A N 0.230 122.797 122.820 -0.422 0.000 1.908 688 A HA -0.218 4.116 4.320 0.025 0.000 0.218 688 A C 2.039 179.505 177.584 -0.196 0.000 1.181 688 A CA 1.553 53.440 52.037 -0.250 0.000 0.627 688 A CB -0.954 17.959 19.000 -0.145 0.000 0.818 688 A HN 0.547 nan 8.150 nan 0.000 0.445 689 Y N 0.559 120.692 120.300 -0.277 0.000 2.070 689 Y HA -0.263 4.302 4.550 0.025 0.000 0.280 689 Y C 2.438 178.207 175.900 -0.219 0.000 1.148 689 Y CA 2.449 60.417 58.100 -0.219 0.000 1.125 689 Y CB -0.334 38.014 38.460 -0.187 0.000 0.975 689 Y HN 0.333 nan 8.280 nan 0.000 0.492 690 K N -0.744 119.519 120.400 -0.229 0.000 2.113 690 K HA -0.252 4.083 4.320 0.025 0.000 0.208 690 K C 1.244 177.717 176.600 -0.211 0.000 1.047 690 K CA 2.189 58.321 56.287 -0.258 0.000 0.928 690 K CB -0.452 31.846 32.500 -0.338 0.000 0.716 690 K HN 0.601 nan 8.250 nan 0.000 0.446 691 H N -0.089 118.850 119.070 -0.219 0.000 2.524 691 H HA 0.187 4.758 4.556 0.025 0.000 0.280 691 H C -0.036 175.121 175.328 -0.286 0.000 1.018 691 H CA 0.240 56.158 56.048 -0.217 0.000 1.165 691 H CB 0.180 29.812 29.762 -0.217 0.000 1.411 691 H HN 0.124 nan 8.280 nan 0.000 0.569 692 L N -0.198 120.863 121.223 -0.269 0.000 4.351 692 L HA -0.261 4.094 4.340 0.025 0.000 0.410 692 L C -0.357 176.243 176.870 -0.451 0.000 1.150 692 L CA 0.507 55.100 54.840 -0.413 0.000 0.961 692 L CB -1.768 40.029 42.059 -0.437 0.000 2.130 692 L HN 0.268 nan 8.230 nan 0.000 0.787 693 K N 0.868 121.069 120.400 -0.331 0.000 2.144 693 K HA 0.479 4.813 4.320 0.025 0.000 0.270 693 K C -2.154 174.305 176.600 -0.235 0.000 1.005 693 K CA -1.762 54.353 56.287 -0.285 0.000 0.932 693 K CB 0.597 32.983 32.500 -0.190 0.000 1.021 693 K HN -0.213 nan 8.250 nan 0.000 0.462 694 P HA 0.077 nan 4.420 nan 0.000 0.268 694 P C -0.795 176.438 177.300 -0.111 0.000 1.205 694 P CA 0.305 63.304 63.100 -0.169 0.000 0.771 694 P CB 0.464 32.066 31.700 -0.164 0.000 0.858 695 I N 1.646 122.165 120.570 -0.085 0.000 2.582 695 I HA 0.605 4.790 4.170 0.025 0.000 0.292 695 I C -0.449 175.624 176.117 -0.074 0.000 1.066 695 I CA -0.759 60.510 61.300 -0.053 0.000 1.053 695 I CB 2.229 40.223 38.000 -0.010 0.000 1.241 695 I HN 0.250 nan 8.210 nan 0.000 0.421 696 A N 7.432 130.214 122.820 -0.063 0.000 2.343 696 A HA 0.901 5.235 4.320 0.025 0.000 0.316 696 A C -1.147 176.528 177.584 0.152 0.000 1.104 696 A CA -0.444 51.545 52.037 -0.080 0.000 0.768 696 A CB 0.950 19.742 19.000 -0.345 0.000 1.213 696 A HN 0.655 nan 8.150 nan 0.000 0.456 697 L N 2.182 123.550 121.223 0.242 0.000 2.376 697 L HA 0.704 5.058 4.340 0.025 0.000 0.275 697 L C 0.189 177.248 176.870 0.316 0.000 0.987 697 L CA -0.565 54.423 54.840 0.247 0.000 0.828 697 L CB 1.986 44.142 42.059 0.162 0.000 1.249 697 L HN 0.786 nan 8.230 nan 0.000 0.409 698 A N 2.457 125.378 122.820 0.168 0.000 2.304 698 A HA 0.858 5.192 4.320 0.025 0.000 0.323 698 A C 0.574 178.146 177.584 -0.020 0.000 1.195 698 A CA 0.297 52.301 52.037 -0.055 0.000 0.826 698 A CB 1.165 19.973 19.000 -0.319 0.000 1.184 698 A HN 0.998 nan 8.150 nan 0.000 0.496 699 G N 2.450 111.232 108.800 -0.031 0.000 2.550 699 G HA2 -0.317 3.658 3.960 0.025 0.000 0.277 699 G HA3 -0.317 3.658 3.960 0.025 0.000 0.277 699 G C 0.473 175.377 174.900 0.007 0.000 1.190 699 G CA 0.655 45.742 45.100 -0.022 0.000 0.971 699 G HN 1.219 nan 8.290 nan 0.000 0.559 700 D N 1.211 121.612 120.400 0.001 0.000 2.378 700 D HA 0.202 4.857 4.640 0.025 0.000 0.222 700 D C 2.279 178.590 176.300 0.018 0.000 0.980 700 D CA 1.631 55.628 54.000 -0.005 0.000 0.907 700 D CB -0.746 40.042 40.800 -0.021 0.000 0.899 700 D HN 1.045 nan 8.370 nan 0.000 0.527 701 A N 1.174 124.040 122.820 0.078 0.000 2.070 701 A HA -0.170 4.165 4.320 0.025 0.000 0.220 701 A C 2.188 179.897 177.584 0.208 0.000 1.159 701 A CA 0.696 52.854 52.037 0.202 0.000 0.656 701 A CB -0.643 18.485 19.000 0.212 0.000 0.800 701 A HN 0.134 nan 8.150 nan 0.000 0.453 702 R N -0.228 120.337 120.500 0.108 0.000 2.249 702 R HA -0.103 4.252 4.340 0.025 0.000 0.230 702 R C 1.724 178.047 176.300 0.039 0.000 1.121 702 R CA 1.284 57.435 56.100 0.085 0.000 0.997 702 R CB -0.209 30.123 30.300 0.055 0.000 0.867 702 R HN 0.527 nan 8.270 nan 0.000 0.465 703 K N -0.192 120.189 120.400 -0.031 0.000 2.209 703 K HA -0.124 4.211 4.320 0.025 0.000 0.204 703 K C 1.248 177.760 176.600 -0.148 0.000 1.048 703 K CA 1.176 57.386 56.287 -0.128 0.000 0.940 703 K CB -0.082 32.282 32.500 -0.227 0.000 0.729 703 K HN 0.170 nan 8.250 nan 0.000 0.451 704 F N 1.478 121.404 119.950 -0.040 0.000 2.641 704 F HA -0.096 4.446 4.527 0.025 0.000 0.298 704 F C 1.843 177.596 175.800 -0.079 0.000 1.146 704 F CA 0.711 58.676 58.000 -0.059 0.000 1.464 704 F CB -0.056 38.910 39.000 -0.057 0.000 1.101 704 F HN -0.051 nan 8.300 nan 0.000 0.585 705 K N 0.483 120.936 120.400 0.088 0.000 2.074 705 K HA -0.252 4.083 4.320 0.025 0.000 0.209 705 K C 2.399 178.974 176.600 -0.042 0.000 1.048 705 K CA 1.347 57.634 56.287 0.000 0.000 0.926 705 K CB -0.493 32.004 32.500 -0.005 0.000 0.713 705 K HN 0.277 nan 8.250 nan 0.000 0.444 706 A N 1.020 123.822 122.820 -0.031 0.000 1.917 706 A HA -0.226 4.109 4.320 0.025 0.000 0.219 706 A C 2.229 179.785 177.584 -0.046 0.000 1.182 706 A CA 2.379 54.390 52.037 -0.044 0.000 0.633 706 A CB -1.157 17.814 19.000 -0.048 0.000 0.819 706 A HN 0.345 nan 8.150 nan 0.000 0.448 707 T N 0.707 115.252 114.554 -0.015 0.000 2.720 707 T HA -0.135 4.230 4.350 0.025 0.000 0.268 707 T C 1.545 176.184 174.700 -0.102 0.000 1.037 707 T CA 1.690 63.782 62.100 -0.013 0.000 1.144 707 T CB -0.544 68.370 68.868 0.077 0.000 0.864 707 T HN 0.738 nan 8.240 nan 0.000 0.444 708 I N -1.813 118.643 120.570 -0.189 0.000 3.904 708 I HA 0.325 4.510 4.170 0.025 0.000 0.333 708 I C -0.468 175.390 176.117 -0.431 0.000 1.361 708 I CA -0.471 60.573 61.300 -0.426 0.000 1.116 708 I CB -0.162 37.426 38.000 -0.686 0.000 1.028 708 I HN -0.095 nan 8.210 nan 0.000 0.398 709 K N 2.177 122.446 120.400 -0.218 0.000 3.393 709 K HA -0.121 4.214 4.320 0.025 0.000 0.272 709 K C -0.531 175.988 176.600 -0.134 0.000 1.004 709 K CA 0.519 56.722 56.287 -0.140 0.000 0.764 709 K CB -1.573 30.868 32.500 -0.099 0.000 1.373 709 K HN 0.382 nan 8.250 nan 0.000 0.458 710 I N 0.584 121.083 120.570 -0.119 0.000 2.336 710 I HA 0.276 4.461 4.170 0.025 0.000 0.292 710 I C 1.320 177.415 176.117 -0.036 0.000 0.991 710 I CA -1.115 60.140 61.300 -0.076 0.000 1.227 710 I CB 1.076 39.035 38.000 -0.069 0.000 1.366 710 I HN 0.348 nan 8.210 nan 0.000 0.466 711 A N 5.241 128.051 122.820 -0.016 0.000 2.507 711 A HA 0.042 4.377 4.320 0.025 0.000 0.235 711 A C 1.099 178.680 177.584 -0.005 0.000 1.070 711 A CA -0.042 51.991 52.037 -0.008 0.000 0.768 711 A CB 0.069 19.070 19.000 0.001 0.000 1.011 711 A HN 0.765 nan 8.150 nan 0.000 0.502 712 D N 0.372 120.770 120.400 -0.004 0.000 2.144 712 D HA -0.173 4.482 4.640 0.025 0.000 0.199 712 D C 1.821 178.124 176.300 0.003 0.000 0.984 712 D CA 1.706 55.705 54.000 -0.002 0.000 0.834 712 D CB -0.098 40.701 40.800 -0.002 0.000 0.955 712 D HN 0.797 nan 8.370 nan 0.000 0.465 713 Q N 1.363 121.165 119.800 0.004 0.000 2.515 713 Q HA 0.042 4.396 4.340 0.025 0.000 0.212 713 Q C 0.652 176.657 176.000 0.008 0.000 0.970 713 Q CA 1.048 56.855 55.803 0.007 0.000 0.941 713 Q CB -0.099 28.643 28.738 0.006 0.000 0.998 713 Q HN 0.178 nan 8.270 nan 0.000 0.518 714 G N 1.221 110.026 108.800 0.008 0.000 2.796 714 G HA2 -0.253 3.721 3.960 0.025 0.000 0.571 714 G HA3 -0.253 3.721 3.960 0.025 0.000 0.571 714 G C -1.119 173.788 174.900 0.011 0.000 1.370 714 G CA -0.121 44.985 45.100 0.010 0.000 0.856 714 G HN 0.626 nan 8.290 nan 0.000 0.538 715 E N -0.808 119.400 120.200 0.013 0.000 2.372 715 E HA 0.539 4.904 4.350 0.025 0.000 0.279 715 E C -0.744 175.857 176.600 0.001 0.000 0.946 715 E CA -1.039 55.370 56.400 0.016 0.000 0.769 715 E CB 1.397 31.121 29.700 0.039 0.000 1.230 715 E HN 0.398 nan 8.360 nan 0.000 0.442 716 E N 1.071 121.264 120.200 -0.012 0.000 2.558 716 E HA 0.169 4.534 4.350 0.025 0.000 0.255 716 E C 0.935 177.499 176.600 -0.059 0.000 0.968 716 E CA 1.778 58.156 56.400 -0.037 0.000 0.939 716 E CB 0.741 30.418 29.700 -0.040 0.000 0.921 716 E HN 0.935 nan 8.360 nan 0.000 0.477 717 G N 2.904 111.654 108.800 -0.083 0.000 2.176 717 G HA2 -0.205 3.769 3.960 0.025 0.000 0.232 717 G HA3 -0.205 3.769 3.960 0.025 0.000 0.232 717 G C 0.147 174.998 174.900 -0.082 0.000 0.986 717 G CA -0.255 44.774 45.100 -0.118 0.000 0.643 717 G HN 0.407 nan 8.290 nan 0.000 0.522 718 I N 1.798 122.342 120.570 -0.043 0.000 2.382 718 I HA 0.468 4.653 4.170 0.025 0.000 0.286 718 I C 0.371 176.450 176.117 -0.063 0.000 1.002 718 I CA -1.050 60.233 61.300 -0.029 0.000 1.135 718 I CB 1.461 39.474 38.000 0.022 0.000 1.288 718 I HN -0.120 nan 8.210 nan 0.000 0.448 719 V N 7.361 127.200 119.914 -0.125 0.000 2.432 719 V HA 0.387 4.521 4.120 0.025 0.000 0.275 719 V C 0.147 176.190 176.094 -0.085 0.000 1.043 719 V CA -0.427 61.755 62.300 -0.198 0.000 0.925 719 V CB 1.327 32.871 31.823 -0.464 0.000 0.985 719 V HN 0.864 nan 8.190 nan 0.000 0.466 720 E N 4.321 124.547 120.200 0.044 0.000 2.343 720 E HA 0.874 5.239 4.350 0.025 0.000 0.278 720 E C -0.958 175.782 176.600 0.234 0.000 0.910 720 E CA -0.916 55.597 56.400 0.189 0.000 0.757 720 E CB 2.541 32.305 29.700 0.105 0.000 1.218 720 E HN 0.761 nan 8.360 nan 0.000 0.435 721 A N 1.991 124.972 122.820 0.268 0.000 2.536 721 A HA 0.395 4.729 4.320 0.025 0.000 0.293 721 A C -0.500 177.109 177.584 0.041 0.000 1.119 721 A CA -0.594 51.533 52.037 0.149 0.000 0.654 721 A CB 1.090 20.209 19.000 0.199 0.000 1.291 721 A HN 0.581 nan 8.150 nan 0.000 0.439 722 D N 0.438 120.840 120.400 0.005 0.000 2.144 722 D HA 0.030 4.684 4.640 0.025 0.000 0.199 722 D C 1.138 177.386 176.300 -0.087 0.000 0.984 722 D CA 2.336 56.318 54.000 -0.029 0.000 0.834 722 D CB 0.034 40.821 40.800 -0.021 0.000 0.955 722 D HN 0.746 nan 8.370 nan 0.000 0.465 723 S N -1.861 113.754 115.700 -0.142 0.000 2.685 723 S HA 0.666 5.150 4.470 0.025 0.000 0.282 723 S C 0.308 174.608 174.600 -0.501 0.000 1.159 723 S CA -0.337 57.718 58.200 -0.241 0.000 0.833 723 S CB 1.897 65.008 63.200 -0.148 0.000 1.151 723 S HN -0.040 nan 8.310 nan 0.000 0.485 724 A N 0.586 123.046 122.820 -0.600 0.000 2.259 724 A HA 0.229 4.564 4.320 0.025 0.000 0.208 724 A C 0.736 178.144 177.584 -0.293 0.000 1.201 724 A CA 0.614 52.115 52.037 -0.892 0.000 0.824 724 A CB -1.223 17.404 19.000 -0.620 0.000 0.838 724 A HN 0.893 nan 8.150 nan 0.000 0.485 725 D N -1.625 118.678 120.400 -0.163 0.000 2.453 725 D HA 0.452 5.107 4.640 0.025 0.000 0.282 725 D C 1.197 177.518 176.300 0.036 0.000 1.222 725 D CA 0.351 54.330 54.000 -0.035 0.000 1.079 725 D CB -0.478 40.298 40.800 -0.039 0.000 1.128 725 D HN 0.609 nan 8.370 nan 0.000 0.568 726 G N -0.094 108.727 108.800 0.035 0.000 2.651 726 G HA2 -0.336 3.638 3.960 0.025 0.000 0.315 726 G HA3 -0.336 3.638 3.960 0.025 0.000 0.315 726 G C 0.891 175.839 174.900 0.081 0.000 1.258 726 G CA 2.124 47.254 45.100 0.050 0.000 1.002 726 G HN 1.359 nan 8.290 nan 0.000 0.551 727 S N -0.121 115.634 115.700 0.091 0.000 2.593 727 S HA 0.325 4.810 4.470 0.025 0.000 0.217 727 S C 1.810 176.481 174.600 0.118 0.000 0.966 727 S CA 1.066 59.315 58.200 0.082 0.000 0.914 727 S CB -0.000 63.231 63.200 0.052 0.000 0.776 727 S HN 0.977 nan 8.310 nan 0.000 0.523 728 F N 2.638 122.586 119.950 -0.004 0.000 2.095 728 F HA -0.077 4.465 4.527 0.025 0.000 0.298 728 F C 2.170 177.966 175.800 -0.006 0.000 1.104 728 F CA 1.649 59.647 58.000 -0.004 0.000 1.232 728 F CB -0.244 38.755 39.000 -0.002 0.000 0.987 728 F HN 0.156 nan 8.300 nan 0.000 0.475 729 M N 0.130 119.880 119.600 0.250 0.000 2.175 729 M HA -0.153 4.341 4.480 0.025 0.000 0.264 729 M C 1.770 178.072 176.300 0.003 0.000 1.063 729 M CA 1.296 56.659 55.300 0.105 0.000 1.119 729 M CB -1.338 31.348 32.600 0.145 0.000 1.377 729 M HN 0.131 nan 8.290 nan 0.000 0.415 730 D N 0.455 120.866 120.400 0.017 0.000 2.117 730 D HA -0.137 4.518 4.640 0.025 0.000 0.197 730 D C 1.966 178.241 176.300 -0.041 0.000 0.987 730 D CA 1.134 55.129 54.000 -0.008 0.000 0.829 730 D CB -0.128 40.676 40.800 0.006 0.000 0.961 730 D HN 0.451 nan 8.370 nan 0.000 0.460 731 E N 0.426 120.587 120.200 -0.065 0.000 2.077 731 E HA -0.123 4.242 4.350 0.025 0.000 0.193 731 E C 2.115 178.630 176.600 -0.142 0.000 0.989 731 E CA 0.226 56.566 56.400 -0.100 0.000 0.800 731 E CB -0.039 29.591 29.700 -0.118 0.000 0.746 731 E HN 0.160 nan 8.360 nan 0.000 0.452 732 L N 0.874 121.975 121.223 -0.202 0.000 2.017 732 L HA -0.187 4.167 4.340 0.025 0.000 0.208 732 L C 2.157 178.956 176.870 -0.119 0.000 1.073 732 L CA 1.615 56.333 54.840 -0.205 0.000 0.745 732 L CB -0.427 41.475 42.059 -0.262 0.000 0.894 732 L HN 0.248 nan 8.230 nan 0.000 0.432 733 L N -0.438 120.736 121.223 -0.081 0.000 2.131 733 L HA -0.217 4.138 4.340 0.025 0.000 0.210 733 L C 2.471 179.315 176.870 -0.043 0.000 1.092 733 L CA 1.528 56.338 54.840 -0.049 0.000 0.759 733 L CB -0.731 41.310 42.059 -0.030 0.000 0.903 733 L HN 0.282 nan 8.230 nan 0.000 0.435 734 T N 0.114 114.638 114.554 -0.049 0.000 2.708 734 T HA -0.161 4.204 4.350 0.025 0.000 0.266 734 T C 1.941 176.609 174.700 -0.054 0.000 1.037 734 T CA 1.263 63.339 62.100 -0.040 0.000 1.146 734 T CB -0.257 68.588 68.868 -0.038 0.000 0.865 734 T HN 0.200 nan 8.240 nan 0.000 0.435 735 L N 0.291 121.462 121.223 -0.085 0.000 2.042 735 L HA -0.101 4.253 4.340 0.025 0.000 0.210 735 L C 2.719 179.524 176.870 -0.108 0.000 1.076 735 L CA 1.364 56.134 54.840 -0.117 0.000 0.749 735 L CB -0.585 41.384 42.059 -0.150 0.000 0.893 735 L HN 0.306 nan 8.230 nan 0.000 0.432 736 M N -0.773 118.780 119.600 -0.079 0.000 2.229 736 M HA -0.144 4.351 4.480 0.025 0.000 0.264 736 M C 2.446 178.748 176.300 0.003 0.000 1.063 736 M CA 1.577 56.849 55.300 -0.046 0.000 1.114 736 M CB -0.447 32.135 32.600 -0.031 0.000 1.387 736 M HN 0.314 nan 8.290 nan 0.000 0.420 737 A N 0.230 123.052 122.820 0.003 0.000 2.015 737 A HA 0.058 4.393 4.320 0.025 0.000 0.219 737 A C 2.119 179.745 177.584 0.070 0.000 1.163 737 A CA 1.671 53.730 52.037 0.037 0.000 0.646 737 A CB -0.577 18.439 19.000 0.027 0.000 0.806 737 A HN 0.494 nan 8.150 nan 0.000 0.448 738 A N -2.750 120.090 122.820 0.034 0.000 2.275 738 A HA 0.384 4.718 4.320 0.025 0.000 0.212 738 A C 0.875 178.487 177.584 0.046 0.000 1.201 738 A CA 1.204 53.276 52.037 0.059 0.000 0.843 738 A CB -0.401 18.593 19.000 -0.011 0.000 0.873 738 A HN 0.961 nan 8.150 nan 0.000 0.492 739 H N -1.269 117.740 119.070 -0.102 0.000 4.806 739 H HA -0.171 4.399 4.556 0.025 0.000 0.061 739 H C 0.011 175.122 175.328 -0.363 0.000 0.604 739 H CA 2.282 58.254 56.048 -0.126 0.000 0.938 739 H CB -0.656 29.139 29.762 0.055 0.000 0.431 739 H HN 0.448 nan 8.280 nan 0.000 0.803 740 R N -0.225 119.725 120.500 -0.917 0.000 2.836 740 R HA 0.633 4.988 4.340 0.025 0.000 0.269 740 R C -0.602 174.851 176.300 -1.411 0.000 1.010 740 R CA -0.310 54.998 56.100 -1.319 0.000 0.930 740 R CB 1.695 30.894 30.300 -1.835 0.000 1.218 740 R HN 0.085 nan 8.270 nan 0.000 0.473 741 V N 2.303 121.605 119.914 -1.020 0.000 2.174 741 V HA 0.094 4.229 4.120 0.025 0.000 0.259 741 V C 0.658 176.366 176.094 -0.643 0.000 1.261 741 V CA -0.422 61.455 62.300 -0.705 0.000 1.137 741 V CB -0.477 31.080 31.823 -0.444 0.000 1.290 741 V HN 0.709 nan 8.190 nan 0.000 0.486 742 W N 1.460 122.461 121.300 -0.498 0.000 2.387 742 W HA -0.189 4.485 4.660 0.024 0.000 0.272 742 W C 2.504 178.813 176.519 -0.351 0.000 1.224 742 W CA 0.842 57.810 57.345 -0.629 0.000 1.210 742 W CB -0.456 28.179 29.460 -1.375 0.000 1.125 742 W HN 0.649 nan 8.180 nan 0.000 0.572 743 S N 0.658 116.303 115.700 -0.092 0.000 2.474 743 S HA -0.133 4.352 4.470 0.025 0.000 0.235 743 S C 1.730 176.294 174.600 -0.060 0.000 0.997 743 S CA 0.818 58.993 58.200 -0.042 0.000 0.949 743 S CB -0.383 62.793 63.200 -0.041 0.000 0.766 743 S HN 0.407 nan 8.310 nan 0.000 0.517 744 R N 0.558 120.979 120.500 -0.132 0.000 2.276 744 R HA 0.245 4.600 4.340 0.025 0.000 0.203 744 R C 1.816 178.050 176.300 -0.110 0.000 1.017 744 R CA 0.489 56.488 56.100 -0.168 0.000 1.010 744 R CB -0.362 29.720 30.300 -0.365 0.000 0.900 744 R HN 0.487 nan 8.270 nan 0.000 0.469 745 I N 1.584 122.129 120.570 -0.042 0.000 2.151 745 I HA -0.228 3.957 4.170 0.025 0.000 0.243 745 I C -0.830 175.314 176.117 0.046 0.000 1.080 745 I CA 1.318 62.637 61.300 0.032 0.000 1.339 745 I CB -0.827 37.241 38.000 0.113 0.000 1.039 745 I HN 0.148 nan 8.210 nan 0.000 0.409 746 P HA -0.132 nan 4.420 nan 0.000 0.222 746 P C 1.243 178.576 177.300 0.054 0.000 1.147 746 P CA 1.266 64.398 63.100 0.054 0.000 0.790 746 P CB 0.043 31.773 31.700 0.049 0.000 0.780 747 K N -0.131 120.297 120.400 0.046 0.000 2.167 747 K HA 0.028 4.363 4.320 0.025 0.000 0.203 747 K C 1.979 178.647 176.600 0.113 0.000 1.052 747 K CA 0.763 57.102 56.287 0.086 0.000 0.956 747 K CB -0.861 31.715 32.500 0.127 0.000 0.735 747 K HN 0.261 nan 8.250 nan 0.000 0.451 748 I N -1.715 118.890 120.570 0.058 0.000 2.761 748 I HA -0.061 4.124 4.170 0.025 0.000 0.261 748 I C 1.263 177.425 176.117 0.075 0.000 1.198 748 I CA 1.307 62.647 61.300 0.067 0.000 1.482 748 I CB -0.197 37.785 38.000 -0.030 0.000 1.100 748 I HN -0.052 nan 8.210 nan 0.000 0.445 749 D N 2.884 123.328 120.400 0.072 0.000 2.239 749 D HA -0.250 4.404 4.640 0.025 0.000 0.202 749 D C 1.906 178.249 176.300 0.073 0.000 0.993 749 D CA 1.881 55.927 54.000 0.077 0.000 0.874 749 D CB 0.090 40.935 40.800 0.075 0.000 0.922 749 D HN 0.695 nan 8.370 nan 0.000 0.464 750 K N -0.672 119.770 120.400 0.071 0.000 2.438 750 K HA 0.144 4.479 4.320 0.025 0.000 0.206 750 K C 0.652 177.287 176.600 0.059 0.000 1.081 750 K CA -0.430 55.894 56.287 0.061 0.000 1.053 750 K CB 0.289 32.821 32.500 0.053 0.000 0.908 750 K HN 0.132 nan 8.250 nan 0.000 0.556 751 I N 4.789 125.401 120.570 0.071 0.000 2.683 751 I HA 0.024 4.209 4.170 0.025 0.000 0.286 751 I C -1.975 174.174 176.117 0.055 0.000 1.175 751 I CA -1.749 59.589 61.300 0.063 0.000 1.429 751 I CB 0.880 38.935 38.000 0.092 0.000 1.371 751 I HN 0.071 nan 8.210 nan 0.000 0.569 752 P HA 0.345 nan 4.420 nan 0.000 0.247 752 P C -1.023 176.335 177.300 0.097 0.000 1.756 752 P CA -0.083 63.054 63.100 0.061 0.000 1.117 752 P CB 0.381 32.111 31.700 0.049 0.000 1.869 753 A N 0.000 122.881 122.820 0.101 0.000 2.254 753 A HA 0.000 4.335 4.320 0.025 0.000 0.244 753 A CA 0.000 52.146 52.037 0.182 0.000 0.836 753 A CB 0.000 19.005 19.000 0.009 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486