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 1g8j_1_C DATA FIRST_RESID 5 DATA SEQUENCE DRITLPPANA QRTNMTCHFC IVGCGYHVYK WPELEEGGRA PEQNALGLDF DATA SEQUENCE RKQLPPLAST LTPAMTNVVT EHDGARYDIM VVPDKACVVN SGLSSTRGGK DATA SEQUENCE MASYMYTPTG DGKERLSAPR LYAADEWVDT TWDHAMALYA GLIKKTLDSD DATA SEQUENCE GPQGVFFSCF DHGGAGGGFE NTWGTGKLMF SAIQTPMVRI HNRPAYNSEC DATA SEQUENCE HATREMGIGE LNNAYEDAQL ADVIWSIGNN PYESQTNYFL NHWLPNLQGA DATA SEQUENCE TTSKKKERFP NENFPQARII FVDPRETPSV AIARHVAGND RVLHLAIEPG DATA SEQUENCE TDTALFNGLF TYVVEQGWID KPFIEAHTKG FDDAVKTNRL SLDECSNITG DATA SEQUENCE VPVDMLKRAA EWSYKPKASG QAPRTMHAYE KGIIWGNDNY VIQSALLDLV DATA SEQUENCE IATHNVGRRG TGCVRMGGHQ EGYTRPPYPG DKKIYIDQEL IKGKGRIMTW DATA SEQUENCE WGCNNFQTSN NAQALREAIL QRSAIVKQAM QKARGATTEE MVDVIYEATQ DATA SEQUENCE NGGLFVTSIN LYPTKLAEAA HLMLPAAHPG EMNLTSMNGE RRIRLSEKFM DATA SEQUENCE DPPGTAMADC LIAARIANAL RDMYQKDGKA EMAAQFEGFD WKTEEDAFND DATA SEQUENCE GFRRAGQPGA PAIDSQGGST GHLVTYDRLR KSGNNGVQLP VVSWDESKGL DATA SEQUENCE VGTEMLYTEG KFDTDDGKAH FKPAPWNGLP ATVQQQKDKY RFWLNNGRNN DATA SEQUENCE EVWQTAYHDQ YNSLMQERYP MAYIEMNPDD CKQLDVTGGD IVEVYNDFGS DATA SEQUENCE TFAMVYPVAE IKRGQTFMLF GYVNGIQGDV TTDWTDRDII PYYKGTWGDI DATA SEQUENCE RKVGSMSEFK RTVSFKSRRF G 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.304 176.300 0.007 0.000 2.045 5 D CA 0.000 54.003 54.000 0.005 0.000 0.868 5 D CB 0.000 40.803 40.800 0.005 0.000 0.688 6 R N 0.134 120.636 120.500 0.004 0.000 2.837 6 R HA 0.692 5.031 4.340 -0.003 0.000 0.271 6 R C -0.890 175.409 176.300 -0.002 0.000 0.993 6 R CA -0.926 55.174 56.100 0.001 0.000 0.931 6 R CB 2.290 32.588 30.300 -0.002 0.000 1.206 6 R HN -0.064 nan 8.270 nan 0.000 0.474 7 I N 1.587 122.148 120.570 -0.014 0.000 2.436 7 I HA 0.214 4.382 4.170 -0.003 0.000 0.289 7 I C -0.065 176.029 176.117 -0.039 0.000 1.010 7 I CA -0.472 60.817 61.300 -0.019 0.000 1.098 7 I CB 2.020 40.002 38.000 -0.029 0.000 1.266 7 I HN 0.558 nan 8.210 nan 0.000 0.434 8 T N 7.203 121.775 114.554 0.030 0.000 2.780 8 T HA 0.472 4.821 4.350 -0.003 0.000 0.294 8 T C 0.458 175.214 174.700 0.095 0.000 0.949 8 T CA -0.327 61.823 62.100 0.084 0.000 1.074 8 T CB 0.491 69.478 68.868 0.198 0.000 0.910 8 T HN 0.242 nan 8.240 nan 0.000 0.501 9 L N 6.286 127.437 121.223 -0.121 0.000 2.395 9 L HA 0.383 4.722 4.340 -0.003 0.000 0.269 9 L C -1.789 174.731 176.870 -0.584 0.000 1.133 9 L CA -2.231 52.400 54.840 -0.348 0.000 0.812 9 L CB 0.621 42.385 42.059 -0.492 0.000 1.125 9 L HN 0.354 nan 8.230 nan 0.000 0.452 10 P HA 0.271 nan 4.420 nan 0.000 0.286 10 P C -2.659 174.056 177.300 -0.975 0.000 1.269 10 P CA -1.920 60.116 63.100 -1.774 0.000 0.787 10 P CB 0.897 31.677 31.700 -1.532 0.000 0.920 11 P HA -0.033 nan 4.420 nan 0.000 0.270 11 P C 1.021 178.122 177.300 -0.331 0.000 1.227 11 P CA 0.258 63.101 63.100 -0.428 0.000 0.788 11 P CB 0.235 31.759 31.700 -0.294 0.000 0.926 12 A N 2.426 125.121 122.820 -0.208 0.000 2.024 12 A HA -0.213 4.105 4.320 -0.003 0.000 0.220 12 A C 1.600 179.125 177.584 -0.098 0.000 1.164 12 A CA 2.010 53.959 52.037 -0.148 0.000 0.643 12 A CB -1.512 17.428 19.000 -0.099 0.000 0.806 12 A HN 0.814 nan 8.150 nan 0.000 0.451 13 N N -0.494 118.157 118.700 -0.082 0.000 2.398 13 N HA 0.317 5.056 4.740 -0.003 0.000 0.188 13 N C 0.653 176.166 175.510 0.005 0.000 1.122 13 N CA 0.329 53.363 53.050 -0.027 0.000 0.866 13 N CB -0.101 38.381 38.487 -0.008 0.000 0.970 13 N HN 0.348 nan 8.380 nan 0.000 0.462 14 A N 1.272 124.076 122.820 -0.027 0.000 2.561 14 A HA -0.111 4.208 4.320 -0.003 0.000 0.234 14 A C 0.385 178.053 177.584 0.139 0.000 1.055 14 A CA -0.132 51.949 52.037 0.073 0.000 0.756 14 A CB 0.125 19.105 19.000 -0.032 0.000 0.986 14 A HN 0.544 nan 8.150 nan 0.000 0.505 15 Q N 1.104 121.006 119.800 0.171 0.000 2.311 15 Q HA 0.238 4.577 4.340 -0.003 0.000 0.272 15 Q C -0.113 175.928 176.000 0.067 0.000 1.012 15 Q CA 0.227 56.093 55.803 0.105 0.000 0.891 15 Q CB 0.360 29.155 28.738 0.094 0.000 1.201 15 Q HN 0.684 nan 8.270 nan 0.000 0.391 16 R N 2.553 123.035 120.500 -0.030 0.000 2.513 16 R HA 0.401 4.739 4.340 -0.003 0.000 0.301 16 R C -1.286 174.922 176.300 -0.154 0.000 0.968 16 R CA -0.223 55.753 56.100 -0.207 0.000 0.872 16 R CB 1.530 31.644 30.300 -0.311 0.000 1.177 16 R HN 0.841 nan 8.270 nan 0.000 0.444 17 T N 0.229 114.688 114.554 -0.159 0.000 2.916 17 T HA 0.464 4.813 4.350 -0.003 0.000 0.292 17 T C -0.322 174.367 174.700 -0.019 0.000 1.064 17 T CA -1.091 60.974 62.100 -0.058 0.000 1.011 17 T CB 1.549 70.418 68.868 0.002 0.000 1.152 17 T HN 0.394 nan 8.240 nan 0.000 0.510 18 N N 0.956 119.665 118.700 0.015 0.000 2.515 18 N HA 0.619 5.358 4.740 -0.003 0.000 0.279 18 N C -0.784 174.712 175.510 -0.025 0.000 1.164 18 N CA -0.489 52.569 53.050 0.013 0.000 0.982 18 N CB 1.296 39.777 38.487 -0.010 0.000 1.170 18 N HN 0.764 nan 8.380 nan 0.000 0.474 19 M N 0.453 120.028 119.600 -0.042 0.000 2.284 19 M HA 0.273 4.751 4.480 -0.003 0.000 0.281 19 M C -1.330 174.949 176.300 -0.035 0.000 1.083 19 M CA -0.202 55.075 55.300 -0.038 0.000 0.965 19 M CB 1.508 34.075 32.600 -0.055 0.000 1.717 19 M HN 0.316 nan 8.290 nan 0.000 0.479 20 T N 2.893 117.416 114.554 -0.051 0.000 2.922 20 T HA 0.381 4.730 4.350 -0.003 0.000 0.285 20 T C -0.322 174.312 174.700 -0.110 0.000 1.005 20 T CA -0.319 61.758 62.100 -0.039 0.000 1.061 20 T CB 0.932 69.769 68.868 -0.051 0.000 1.007 20 T HN 0.894 nan 8.240 nan 0.000 0.502 21 C N 2.659 121.885 119.300 -0.124 0.000 2.634 21 C HA 0.048 4.507 4.460 -0.003 0.000 0.417 21 C C 2.008 176.797 174.990 -0.335 0.000 1.334 21 C CA -0.036 58.777 59.018 -0.341 0.000 1.829 21 C CB -1.088 26.538 27.740 -0.190 0.000 2.665 21 C HN 1.010 nan 8.230 nan 0.000 0.614 22 H N 2.651 121.214 119.070 -0.845 0.000 2.462 22 H HA -0.012 4.542 4.556 -0.003 0.000 0.292 22 H C 0.725 175.504 175.328 -0.915 0.000 1.049 22 H CA 1.620 57.092 56.048 -0.959 0.000 1.334 22 H CB 0.197 29.121 29.762 -1.397 0.000 1.404 22 H HN 0.676 nan 8.280 nan 0.000 0.544 23 F N 0.384 120.154 119.950 -0.302 0.000 2.557 23 F HA 0.060 4.586 4.527 -0.002 0.000 0.203 23 F C 1.571 177.151 175.800 -0.366 0.000 1.189 23 F CA -1.038 56.508 58.000 -0.757 0.000 0.935 23 F CB -0.982 37.024 39.000 -1.656 0.000 1.191 23 F HN 0.050 nan 8.300 nan 0.000 0.665 24 C N 2.662 121.896 119.300 -0.111 0.000 2.692 24 C HA 0.045 4.503 4.460 -0.003 0.000 0.409 24 C C 2.234 177.306 174.990 0.136 0.000 1.284 24 C CA -1.022 58.110 59.018 0.190 0.000 1.909 24 C CB -0.586 27.286 27.740 0.220 0.000 2.713 24 C HN 0.682 nan 8.230 nan 0.000 0.649 25 I N 3.556 124.220 120.570 0.156 0.000 2.367 25 I HA -0.168 4.001 4.170 -0.003 0.000 0.256 25 I C 2.014 178.208 176.117 0.129 0.000 1.132 25 I CA 2.005 63.385 61.300 0.133 0.000 1.397 25 I CB -0.339 37.737 38.000 0.127 0.000 1.074 25 I HN 0.748 nan 8.210 nan 0.000 0.435 26 V N 1.569 121.564 119.914 0.135 0.000 2.324 26 V HA -0.187 3.932 4.120 -0.003 0.000 0.250 26 V C 1.898 178.081 176.094 0.149 0.000 1.060 26 V CA 1.565 63.970 62.300 0.176 0.000 1.042 26 V CB -1.895 30.009 31.823 0.136 0.000 0.650 26 V HN 0.795 nan 8.190 nan 0.000 0.450 27 G N -0.656 108.198 108.800 0.090 0.000 2.272 27 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.280 27 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.280 27 G C 0.081 175.024 174.900 0.071 0.000 1.067 27 G CA -0.020 45.111 45.100 0.052 0.000 0.902 27 G HN 0.555 nan 8.290 nan 0.000 0.500 28 C N 0.241 119.610 119.300 0.115 0.000 2.634 28 C HA 0.496 4.954 4.460 -0.003 0.000 0.417 28 C C 1.684 176.765 174.990 0.151 0.000 1.334 28 C CA 0.309 59.405 59.018 0.131 0.000 1.829 28 C CB 0.062 27.908 27.740 0.177 0.000 2.665 28 C HN 1.023 nan 8.230 nan 0.000 0.614 29 G N 2.038 110.853 108.800 0.025 0.000 2.370 29 G HA2 0.506 4.465 3.960 -0.003 0.000 0.272 29 G HA3 0.506 4.465 3.960 -0.003 0.000 0.272 29 G C -1.095 173.727 174.900 -0.129 0.000 1.208 29 G CA -0.019 45.062 45.100 -0.032 0.000 0.856 29 G HN 0.753 nan 8.290 nan 0.000 0.500 30 Y N -0.324 119.823 120.300 -0.255 0.000 2.665 30 Y HA 0.534 5.082 4.550 -0.004 0.000 0.336 30 Y C 0.195 175.862 175.900 -0.388 0.000 1.085 30 Y CA -0.810 57.128 58.100 -0.271 0.000 1.096 30 Y CB 2.516 40.866 38.460 -0.182 0.000 1.301 30 Y HN 0.603 nan 8.280 nan 0.000 0.493 31 H N -0.623 118.449 119.070 0.004 0.000 2.768 31 H HA 0.661 5.215 4.556 -0.003 0.000 0.371 31 H C -1.531 173.626 175.328 -0.285 0.000 1.151 31 H CA -1.042 54.878 56.048 -0.213 0.000 1.165 31 H CB 2.099 31.659 29.762 -0.338 0.000 1.722 31 H HN 0.228 nan 8.280 nan 0.000 0.543 32 V N 3.599 123.338 119.914 -0.291 0.000 2.407 32 V HA 0.194 4.313 4.120 -0.003 0.000 0.291 32 V C -1.047 174.787 176.094 -0.434 0.000 1.018 32 V CA -0.777 61.281 62.300 -0.403 0.000 0.842 32 V CB 0.520 31.910 31.823 -0.722 0.000 0.996 32 V HN 0.626 nan 8.190 nan 0.000 0.426 33 Y N 3.439 123.722 120.300 -0.028 0.000 2.320 33 Y HA 0.609 5.158 4.550 -0.002 0.000 0.334 33 Y C 0.323 176.364 175.900 0.235 0.000 1.055 33 Y CA -0.418 57.749 58.100 0.111 0.000 1.143 33 Y CB 1.513 40.070 38.460 0.161 0.000 1.193 33 Y HN 0.486 nan 8.280 nan 0.000 0.477 34 K N 4.464 125.117 120.400 0.421 0.000 2.443 34 K HA 0.542 4.860 4.320 -0.003 0.000 0.252 34 K C -1.951 174.996 176.600 0.578 0.000 0.933 34 K CA -0.605 55.895 56.287 0.355 0.000 0.792 34 K CB 1.770 34.345 32.500 0.125 0.000 1.185 34 K HN 0.818 nan 8.250 nan 0.000 0.425 35 W N 1.705 123.131 121.300 0.210 0.000 3.153 35 W HA 0.462 5.120 4.660 -0.003 0.000 0.316 35 W C -3.167 173.514 176.519 0.271 0.000 1.255 35 W CA -2.167 55.317 57.345 0.231 0.000 1.192 35 W CB -0.077 29.450 29.460 0.111 0.000 1.400 35 W HN 0.332 nan 8.180 nan 0.000 0.568 36 P HA -0.087 nan 4.420 nan 0.000 0.264 36 P C -0.131 177.028 177.300 -0.236 0.000 1.179 36 P CA 0.374 63.383 63.100 -0.152 0.000 0.763 36 P CB 0.650 32.327 31.700 -0.039 0.000 0.806 37 E N 3.299 123.308 120.200 -0.319 0.000 2.383 37 E HA 0.070 4.418 4.350 -0.003 0.000 0.264 37 E C 0.439 176.970 176.600 -0.115 0.000 1.050 37 E CA -0.256 55.996 56.400 -0.245 0.000 0.896 37 E CB 0.034 29.604 29.700 -0.218 0.000 0.982 37 E HN 0.429 nan 8.360 nan 0.000 0.424 38 L N 0.814 122.003 121.223 -0.056 0.000 4.950 38 L HA -0.225 4.113 4.340 -0.003 0.000 0.413 38 L C -0.106 176.797 176.870 0.054 0.000 1.020 38 L CA 0.687 55.525 54.840 -0.003 0.000 1.239 38 L CB -1.443 40.600 42.059 -0.025 0.000 2.004 38 L HN 0.661 nan 8.230 nan 0.000 0.658 39 E N 0.835 121.114 120.200 0.133 0.000 2.166 39 E HA 0.528 4.877 4.350 -0.003 0.000 0.275 39 E C -0.281 176.504 176.600 0.309 0.000 0.941 39 E CA -0.391 56.132 56.400 0.205 0.000 0.784 39 E CB 1.369 31.238 29.700 0.282 0.000 1.115 39 E HN 0.159 nan 8.360 nan 0.000 0.399 40 E N 1.171 121.452 120.200 0.134 0.000 2.248 40 E HA 0.410 4.758 4.350 -0.003 0.000 0.267 40 E C -0.391 176.156 176.600 -0.088 0.000 0.877 40 E CA -0.890 55.547 56.400 0.061 0.000 0.759 40 E CB 1.997 31.719 29.700 0.037 0.000 1.182 40 E HN 0.540 nan 8.360 nan 0.000 0.418 41 G N 1.056 109.722 108.800 -0.222 0.000 2.599 41 G HA2 0.472 4.430 3.960 -0.003 0.000 0.264 41 G HA3 0.472 4.430 3.960 -0.003 0.000 0.264 41 G C 0.070 174.864 174.900 -0.177 0.000 1.200 41 G CA -0.241 44.707 45.100 -0.254 0.000 0.896 41 G HN 0.435 nan 8.290 nan 0.000 0.536 42 G N -1.216 107.500 108.800 -0.139 0.000 2.477 42 G HA2 0.405 4.364 3.960 -0.003 0.000 0.304 42 G HA3 0.405 4.364 3.960 -0.003 0.000 0.304 42 G C 0.813 175.670 174.900 -0.072 0.000 1.175 42 G CA -0.670 44.377 45.100 -0.090 0.000 0.907 42 G HN 0.554 nan 8.290 nan 0.000 0.509 43 R N 0.424 120.911 120.500 -0.022 0.000 2.148 43 R HA 0.051 4.390 4.340 -0.003 0.000 0.223 43 R C 1.535 177.895 176.300 0.099 0.000 1.088 43 R CA 0.742 56.885 56.100 0.070 0.000 0.985 43 R CB -0.200 30.153 30.300 0.089 0.000 0.880 43 R HN 0.505 nan 8.270 nan 0.000 0.451 44 A N 2.261 125.101 122.820 0.033 0.000 2.511 44 A HA 0.139 4.457 4.320 -0.003 0.000 0.242 44 A C -1.638 175.956 177.584 0.017 0.000 1.069 44 A CA -1.155 50.893 52.037 0.018 0.000 0.763 44 A CB 0.213 19.211 19.000 -0.003 0.000 1.001 44 A HN -0.054 nan 8.150 nan 0.000 0.498 45 P HA -0.252 nan 4.420 nan 0.000 0.217 45 P C 1.199 178.485 177.300 -0.022 0.000 1.158 45 P CA 1.873 64.972 63.100 -0.002 0.000 0.887 45 P CB 0.123 31.811 31.700 -0.021 0.000 0.792 46 E N -0.155 120.029 120.200 -0.027 0.000 2.511 46 E HA -0.153 4.195 4.350 -0.003 0.000 0.196 46 E C 1.115 177.686 176.600 -0.049 0.000 1.066 46 E CA 0.869 57.247 56.400 -0.036 0.000 0.871 46 E CB -0.725 28.958 29.700 -0.030 0.000 0.863 46 E HN 0.444 nan 8.360 nan 0.000 0.520 47 Q N 0.840 120.609 119.800 -0.052 0.000 2.282 47 Q HA 0.116 4.455 4.340 -0.003 0.000 0.206 47 Q C -0.364 175.563 176.000 -0.122 0.000 0.878 47 Q CA 0.079 55.838 55.803 -0.074 0.000 0.944 47 Q CB 0.179 28.883 28.738 -0.057 0.000 1.100 47 Q HN 0.364 nan 8.270 nan 0.000 0.509 48 N N -2.413 116.208 118.700 -0.132 0.000 2.277 48 N HA 0.411 5.149 4.740 -0.003 0.000 0.286 48 N C -0.075 175.296 175.510 -0.232 0.000 1.140 48 N CA -0.323 52.594 53.050 -0.222 0.000 0.799 48 N CB 0.982 39.334 38.487 -0.224 0.000 1.596 48 N HN -0.130 nan 8.380 nan 0.000 0.473 49 A N 0.827 123.431 122.820 -0.360 0.000 2.076 49 A HA -0.038 4.281 4.320 -0.003 0.000 0.220 49 A C 1.530 178.917 177.584 -0.328 0.000 1.160 49 A CA 0.950 52.780 52.037 -0.345 0.000 0.653 49 A CB -0.896 17.806 19.000 -0.496 0.000 0.801 49 A HN 0.694 nan 8.150 nan 0.000 0.455 50 L N -1.329 119.683 121.223 -0.352 0.000 2.395 50 L HA 0.095 4.433 4.340 -0.003 0.000 0.218 50 L C 1.775 178.611 176.870 -0.057 0.000 1.130 50 L CA 0.522 55.255 54.840 -0.179 0.000 0.826 50 L CB -0.753 41.258 42.059 -0.080 0.000 0.941 50 L HN 0.550 nan 8.230 nan 0.000 0.451 51 G N 1.209 109.975 108.800 -0.058 0.000 2.249 51 G HA2 -0.282 3.677 3.960 -0.003 0.000 0.273 51 G HA3 -0.282 3.677 3.960 -0.003 0.000 0.273 51 G C 0.024 174.912 174.900 -0.019 0.000 1.036 51 G CA 0.172 45.252 45.100 -0.033 0.000 0.824 51 G HN 0.255 nan 8.290 nan 0.000 0.504 52 L N -0.425 120.810 121.223 0.019 0.000 2.334 52 L HA 0.517 4.855 4.340 -0.003 0.000 0.272 52 L C -0.149 176.686 176.870 -0.059 0.000 1.020 52 L CA -1.067 53.733 54.840 -0.066 0.000 0.812 52 L CB 1.534 43.500 42.059 -0.155 0.000 1.264 52 L HN 0.032 nan 8.230 nan 0.000 0.439 53 D N 1.175 121.463 120.400 -0.186 0.000 2.411 53 D HA 0.167 4.806 4.640 -0.003 0.000 0.225 53 D C 0.050 176.214 176.300 -0.227 0.000 1.156 53 D CA -0.052 53.876 54.000 -0.121 0.000 0.874 53 D CB 0.678 41.417 40.800 -0.101 0.000 1.034 53 D HN 0.252 nan 8.370 nan 0.000 0.502 54 F N 1.966 121.887 119.950 -0.049 0.000 2.693 54 F HA 0.222 4.747 4.527 -0.003 0.000 0.303 54 F C 2.197 177.976 175.800 -0.035 0.000 1.097 54 F CA -0.234 57.740 58.000 -0.043 0.000 1.330 54 F CB 0.343 39.313 39.000 -0.050 0.000 1.067 54 F HN 0.191 nan 8.300 nan 0.000 0.565 55 R N 0.991 121.544 120.500 0.089 0.000 2.189 55 R HA -0.034 4.304 4.340 -0.003 0.000 0.218 55 R C 0.388 176.701 176.300 0.023 0.000 1.074 55 R CA 0.857 56.987 56.100 0.049 0.000 0.991 55 R CB -0.072 30.242 30.300 0.022 0.000 0.883 55 R HN 0.261 nan 8.270 nan 0.000 0.457 56 K N -0.256 120.140 120.400 -0.006 0.000 2.482 56 K HA 0.233 4.552 4.320 -0.003 0.000 0.257 56 K C -1.048 175.522 176.600 -0.050 0.000 0.969 56 K CA -1.111 55.162 56.287 -0.022 0.000 0.842 56 K CB 1.344 33.824 32.500 -0.032 0.000 1.359 56 K HN -0.353 nan 8.250 nan 0.000 0.441 57 Q N 1.425 121.202 119.800 -0.039 0.000 2.342 57 Q HA 0.013 4.351 4.340 -0.003 0.000 0.330 57 Q C -1.088 174.852 176.000 -0.100 0.000 1.117 57 Q CA 0.631 56.403 55.803 -0.052 0.000 1.010 57 Q CB 0.356 29.073 28.738 -0.034 0.000 1.204 57 Q HN 0.599 nan 8.270 nan 0.000 0.400 58 L N 6.282 127.425 121.223 -0.133 0.000 2.357 58 L HA 0.540 4.879 4.340 -0.003 0.000 0.273 58 L C -1.695 175.108 176.870 -0.111 0.000 1.080 58 L CA -2.160 52.574 54.840 -0.175 0.000 0.803 58 L CB 1.116 43.016 42.059 -0.264 0.000 1.174 58 L HN 0.781 nan 8.230 nan 0.000 0.443 59 P HA 0.231 nan 4.420 nan 0.000 0.274 59 P C -2.651 174.610 177.300 -0.064 0.000 1.246 59 P CA -1.366 61.692 63.100 -0.071 0.000 0.795 59 P CB -0.148 31.512 31.700 -0.067 0.000 1.006 60 P HA 0.053 nan 4.420 nan 0.000 0.269 60 P C 0.640 177.916 177.300 -0.041 0.000 1.209 60 P CA 0.102 63.179 63.100 -0.038 0.000 0.776 60 P CB 0.376 32.060 31.700 -0.027 0.000 0.876 61 L N -1.059 120.142 121.223 -0.037 0.000 4.625 61 L HA -0.323 4.015 4.340 -0.003 0.000 0.428 61 L C 1.587 178.429 176.870 -0.046 0.000 1.129 61 L CA 0.861 55.678 54.840 -0.038 0.000 0.978 61 L CB -2.318 39.720 42.059 -0.036 0.000 2.043 61 L HN 0.452 nan 8.230 nan 0.000 0.847 62 A N -0.501 122.284 122.820 -0.058 0.000 2.014 62 A HA 0.254 4.573 4.320 -0.003 0.000 0.218 62 A C 1.100 178.647 177.584 -0.062 0.000 1.163 62 A CA 1.591 53.583 52.037 -0.074 0.000 0.652 62 A CB 0.019 18.951 19.000 -0.114 0.000 0.808 62 A HN 0.818 nan 8.150 nan 0.000 0.449 63 S N -3.366 112.307 115.700 -0.045 0.000 2.615 63 S HA 0.506 4.974 4.470 -0.003 0.000 0.268 63 S C -0.942 173.657 174.600 -0.002 0.000 1.146 63 S CA -0.348 57.842 58.200 -0.016 0.000 0.818 63 S CB 1.016 64.219 63.200 0.005 0.000 1.111 63 S HN 0.106 nan 8.310 nan 0.000 0.465 64 T N 2.038 116.598 114.554 0.010 0.000 2.864 64 T HA 0.706 5.054 4.350 -0.003 0.000 0.310 64 T C -1.420 173.307 174.700 0.045 0.000 1.040 64 T CA -0.318 61.790 62.100 0.014 0.000 0.977 64 T CB 0.535 69.396 68.868 -0.013 0.000 0.976 64 T HN 0.932 nan 8.240 nan 0.000 0.459 65 L N 4.042 125.299 121.223 0.057 0.000 2.639 65 L HA 0.677 5.015 4.340 -0.003 0.000 0.264 65 L C -0.474 176.434 176.870 0.063 0.000 0.948 65 L CA -0.044 54.841 54.840 0.076 0.000 0.912 65 L CB 1.735 43.861 42.059 0.113 0.000 1.294 65 L HN 0.719 nan 8.230 nan 0.000 0.412 66 T N 1.448 116.030 114.554 0.047 0.000 2.865 66 T HA 0.651 4.999 4.350 -0.003 0.000 0.294 66 T C -2.513 172.201 174.700 0.023 0.000 1.119 66 T CA -1.686 60.433 62.100 0.032 0.000 1.007 66 T CB 1.866 70.745 68.868 0.018 0.000 1.225 66 T HN 0.302 nan 8.240 nan 0.000 0.515 67 P HA 0.001 nan 4.420 nan 0.000 0.217 67 P C 1.498 178.794 177.300 -0.006 0.000 1.148 67 P CA 1.420 64.524 63.100 0.006 0.000 0.828 67 P CB -0.242 31.459 31.700 0.003 0.000 0.783 68 A N -1.344 121.465 122.820 -0.018 0.000 2.172 68 A HA -0.076 4.243 4.320 -0.003 0.000 0.216 68 A C 1.800 179.349 177.584 -0.058 0.000 1.154 68 A CA 1.125 53.132 52.037 -0.050 0.000 0.701 68 A CB -1.151 17.806 19.000 -0.071 0.000 0.789 68 A HN 0.183 nan 8.150 nan 0.000 0.465 69 M N 0.358 119.947 119.600 -0.018 0.000 2.453 69 M HA 0.094 4.572 4.480 -0.003 0.000 0.239 69 M C 0.377 176.689 176.300 0.022 0.000 1.151 69 M CA 0.461 55.763 55.300 0.003 0.000 0.989 69 M CB 0.097 32.724 32.600 0.046 0.000 1.548 69 M HN 0.451 nan 8.290 nan 0.000 0.479 70 T N -2.380 112.178 114.554 0.008 0.000 2.901 70 T HA 0.698 5.046 4.350 -0.003 0.000 0.293 70 T C -0.701 173.988 174.700 -0.019 0.000 1.084 70 T CA -0.792 61.316 62.100 0.013 0.000 1.008 70 T CB 2.775 71.661 68.868 0.030 0.000 1.170 70 T HN 0.087 nan 8.240 nan 0.000 0.509 71 N N -0.769 117.906 118.700 -0.043 0.000 3.355 71 N HA 0.415 5.153 4.740 -0.003 0.000 0.238 71 N C -2.175 173.280 175.510 -0.091 0.000 1.466 71 N CA -0.468 52.553 53.050 -0.049 0.000 0.882 71 N CB 2.035 40.512 38.487 -0.017 0.000 1.406 71 N HN 0.620 nan 8.380 nan 0.000 0.500 72 V N 1.743 121.608 119.914 -0.083 0.000 2.409 72 V HA 0.390 4.509 4.120 -0.003 0.000 0.290 72 V C 0.074 176.131 176.094 -0.061 0.000 1.017 72 V CA -0.787 61.452 62.300 -0.101 0.000 0.841 72 V CB 1.196 32.952 31.823 -0.112 0.000 1.003 72 V HN 0.476 nan 8.190 nan 0.000 0.426 73 V N 2.385 122.293 119.914 -0.010 0.000 2.716 73 V HA 0.722 4.841 4.120 -0.003 0.000 0.304 73 V C 0.138 176.263 176.094 0.051 0.000 1.053 73 V CA -0.135 62.173 62.300 0.013 0.000 0.984 73 V CB 1.690 33.561 31.823 0.081 0.000 1.021 73 V HN 0.727 nan 8.190 nan 0.000 0.467 74 T N 4.031 118.602 114.554 0.029 0.000 2.788 74 T HA 0.396 4.744 4.350 -0.003 0.000 0.296 74 T C -0.166 174.605 174.700 0.118 0.000 1.009 74 T CA -0.273 61.871 62.100 0.073 0.000 0.949 74 T CB 0.671 69.566 68.868 0.044 0.000 0.946 74 T HN 0.854 nan 8.240 nan 0.000 0.453 75 E N 1.436 121.729 120.200 0.155 0.000 2.376 75 E HA 0.139 4.487 4.350 -0.003 0.000 0.254 75 E C 1.150 177.842 176.600 0.153 0.000 1.213 75 E CA -0.170 56.290 56.400 0.100 0.000 0.945 75 E CB 0.626 30.415 29.700 0.149 0.000 1.057 75 E HN 0.702 nan 8.360 nan 0.000 0.479 76 H N 0.220 119.341 119.070 0.085 0.000 2.421 76 H HA -0.134 4.420 4.556 -0.002 0.000 0.298 76 H C 1.199 176.567 175.328 0.066 0.000 1.087 76 H CA 1.045 57.133 56.048 0.066 0.000 1.330 76 H CB 0.302 30.091 29.762 0.044 0.000 1.388 76 H HN 0.446 nan 8.280 nan 0.000 0.526 77 D N -0.462 120.058 120.400 0.200 0.000 2.392 77 D HA -0.030 4.608 4.640 -0.003 0.000 0.228 77 D C 1.710 178.078 176.300 0.114 0.000 1.003 77 D CA 0.915 54.999 54.000 0.140 0.000 0.917 77 D CB -0.320 40.561 40.800 0.135 0.000 0.890 77 D HN 0.494 nan 8.370 nan 0.000 0.532 78 G N -0.740 108.134 108.800 0.124 0.000 2.195 78 G HA2 -0.171 3.787 3.960 -0.003 0.000 0.246 78 G HA3 -0.171 3.787 3.960 -0.003 0.000 0.246 78 G C 0.454 175.388 174.900 0.056 0.000 0.984 78 G CA 0.210 45.361 45.100 0.085 0.000 0.633 78 G HN 0.872 nan 8.290 nan 0.000 0.525 79 A N 0.211 123.075 122.820 0.074 0.000 2.354 79 A HA 0.791 5.109 4.320 -0.003 0.000 0.269 79 A C 0.596 178.142 177.584 -0.064 0.000 1.109 79 A CA -0.110 51.908 52.037 -0.032 0.000 0.800 79 A CB 0.412 19.380 19.000 -0.054 0.000 1.045 79 A HN 0.490 nan 8.150 nan 0.000 0.489 80 R N 0.532 120.899 120.500 -0.222 0.000 2.368 80 R HA 0.519 4.858 4.340 -0.003 0.000 0.302 80 R C -1.712 174.354 176.300 -0.389 0.000 1.002 80 R CA -0.050 55.944 56.100 -0.176 0.000 0.929 80 R CB 1.075 31.292 30.300 -0.138 0.000 1.073 80 R HN 0.722 nan 8.270 nan 0.000 0.464 81 Y N 0.364 120.596 120.300 -0.113 0.000 2.425 81 Y HA 0.199 4.748 4.550 -0.002 0.000 0.344 81 Y C -0.002 175.704 175.900 -0.323 0.000 0.969 81 Y CA -0.927 57.061 58.100 -0.186 0.000 1.052 81 Y CB 1.865 40.272 38.460 -0.088 0.000 1.215 81 Y HN 0.439 nan 8.280 nan 0.000 0.451 82 D N 4.070 124.162 120.400 -0.512 0.000 2.345 82 D HA 0.403 5.042 4.640 -0.003 0.000 0.247 82 D C -0.384 175.470 176.300 -0.743 0.000 1.108 82 D CA 0.316 53.804 54.000 -0.854 0.000 0.894 82 D CB 1.272 40.958 40.800 -1.856 0.000 1.203 82 D HN 0.577 nan 8.370 nan 0.000 0.430 83 I N -1.611 118.713 120.570 -0.409 0.000 2.769 83 I HA 0.583 4.752 4.170 -0.003 0.000 0.298 83 I C -1.002 175.112 176.117 -0.005 0.000 1.128 83 I CA -1.019 60.193 61.300 -0.147 0.000 1.031 83 I CB 2.579 40.543 38.000 -0.059 0.000 1.235 83 I HN 0.154 nan 8.210 nan 0.000 0.423 84 M N 5.693 125.393 119.600 0.167 0.000 2.213 84 M HA 0.605 5.083 4.480 -0.003 0.000 0.286 84 M C -2.137 174.257 176.300 0.156 0.000 1.008 84 M CA -0.590 54.845 55.300 0.224 0.000 0.937 84 M CB 2.070 34.919 32.600 0.415 0.000 1.600 84 M HN 0.551 nan 8.290 nan 0.000 0.450 85 V N 6.164 126.126 119.914 0.080 0.000 2.313 85 V HA 0.640 4.759 4.120 -0.003 0.000 0.278 85 V C -0.480 175.740 176.094 0.211 0.000 1.017 85 V CA -0.597 61.738 62.300 0.059 0.000 0.823 85 V CB 1.172 32.945 31.823 -0.082 0.000 1.010 85 V HN 0.697 nan 8.190 nan 0.000 0.443 86 V N 3.573 123.650 119.914 0.272 0.000 2.962 86 V HA 0.784 4.903 4.120 -0.003 0.000 0.313 86 V C -2.721 173.339 176.094 -0.057 0.000 1.099 86 V CA -2.768 59.651 62.300 0.198 0.000 0.971 86 V CB 2.406 34.333 31.823 0.173 0.000 1.028 86 V HN 0.554 nan 8.190 nan 0.000 0.430 87 P HA 0.110 nan 4.420 nan 0.000 0.268 87 P C -1.025 176.062 177.300 -0.356 0.000 1.208 87 P CA 0.385 63.017 63.100 -0.780 0.000 0.777 87 P CB 0.580 31.887 31.700 -0.655 0.000 0.875 88 D N 1.694 121.856 120.400 -0.396 0.000 2.313 88 D HA 0.087 4.725 4.640 -0.003 0.000 0.239 88 D C 0.999 177.214 176.300 -0.143 0.000 1.142 88 D CA -0.306 53.526 54.000 -0.280 0.000 0.847 88 D CB 0.611 41.126 40.800 -0.475 0.000 1.082 88 D HN 0.138 nan 8.370 nan 0.000 0.480 89 K N 2.367 122.738 120.400 -0.047 0.000 2.148 89 K HA -0.036 4.283 4.320 -0.003 0.000 0.204 89 K C 1.469 178.053 176.600 -0.026 0.000 1.050 89 K CA 0.978 57.243 56.287 -0.037 0.000 0.942 89 K CB 0.160 32.653 32.500 -0.011 0.000 0.724 89 K HN 0.436 nan 8.250 nan 0.000 0.446 90 A N 0.666 123.484 122.820 -0.003 0.000 2.238 90 A HA -0.025 4.293 4.320 -0.003 0.000 0.208 90 A C 0.740 178.316 177.584 -0.012 0.000 1.177 90 A CA -0.038 52.000 52.037 0.001 0.000 0.804 90 A CB -0.380 18.637 19.000 0.028 0.000 0.823 90 A HN 0.388 nan 8.150 nan 0.000 0.482 91 C N 1.369 120.646 119.300 -0.038 0.000 2.464 91 C HA 0.358 4.816 4.460 -0.003 0.000 0.370 91 C C 2.136 177.127 174.990 0.002 0.000 1.267 91 C CA -0.086 58.913 59.018 -0.032 0.000 1.781 91 C CB -0.778 26.919 27.740 -0.070 0.000 2.431 91 C HN 0.753 nan 8.230 nan 0.000 0.556 92 V N 5.673 125.604 119.914 0.028 0.000 2.867 92 V HA -0.075 4.044 4.120 -0.003 0.000 0.260 92 V C 1.709 177.903 176.094 0.166 0.000 1.099 92 V CA 2.043 64.385 62.300 0.070 0.000 1.122 92 V CB -1.071 30.797 31.823 0.076 0.000 0.708 92 V HN 0.766 nan 8.190 nan 0.000 0.490 93 V N 2.961 122.972 119.914 0.162 0.000 2.283 93 V HA -0.126 3.992 4.120 -0.003 0.000 0.243 93 V C 2.430 178.710 176.094 0.310 0.000 1.039 93 V CA 2.396 64.871 62.300 0.293 0.000 1.016 93 V CB -0.813 31.111 31.823 0.170 0.000 0.650 93 V HN 0.875 nan 8.190 nan 0.000 0.449 94 N N -1.689 117.088 118.700 0.129 0.000 2.197 94 N HA -0.005 4.733 4.740 -0.003 0.000 0.201 94 N C 0.555 176.060 175.510 -0.010 0.000 1.148 94 N CA 0.698 53.787 53.050 0.064 0.000 0.883 94 N CB 0.602 39.095 38.487 0.009 0.000 1.012 94 N HN 0.282 nan 8.380 nan 0.000 0.507 95 S N 0.188 115.877 115.700 -0.018 0.000 3.491 95 S HA -0.069 4.399 4.470 -0.003 0.000 0.371 95 S C 1.203 175.764 174.600 -0.064 0.000 0.980 95 S CA 1.100 59.273 58.200 -0.044 0.000 1.204 95 S CB -1.841 61.326 63.200 -0.056 0.000 0.915 95 S HN 1.084 nan 8.310 nan 0.000 0.482 96 G N -1.104 107.639 108.800 -0.095 0.000 2.199 96 G HA2 -0.288 3.671 3.960 -0.003 0.000 0.254 96 G HA3 -0.288 3.671 3.960 -0.003 0.000 0.254 96 G C 0.068 174.886 174.900 -0.138 0.000 0.982 96 G CA 0.231 45.259 45.100 -0.121 0.000 0.632 96 G HN 0.670 nan 8.290 nan 0.000 0.529 97 L N 0.874 122.033 121.223 -0.107 0.000 2.436 97 L HA 0.623 4.961 4.340 -0.003 0.000 0.265 97 L C 0.741 177.539 176.870 -0.120 0.000 1.168 97 L CA 0.224 55.014 54.840 -0.084 0.000 0.815 97 L CB 1.606 43.645 42.059 -0.033 0.000 1.109 97 L HN 0.254 nan 8.230 nan 0.000 0.462 98 S N 0.881 116.542 115.700 -0.065 0.000 2.614 98 S HA 0.432 4.900 4.470 -0.003 0.000 0.288 98 S C -0.362 174.269 174.600 0.050 0.000 1.137 98 S CA -0.742 57.463 58.200 0.007 0.000 0.992 98 S CB 1.496 64.701 63.200 0.009 0.000 1.026 98 S HN 0.705 nan 8.310 nan 0.000 0.486 99 S N 3.077 118.823 115.700 0.078 0.000 2.624 99 S HA 0.234 4.703 4.470 -0.003 0.000 0.263 99 S C 1.307 175.924 174.600 0.027 0.000 1.287 99 S CA 0.358 58.572 58.200 0.023 0.000 0.990 99 S CB 0.650 63.854 63.200 0.006 0.000 0.950 99 S HN 0.825 nan 8.310 nan 0.000 0.561 100 T N 0.068 114.619 114.554 -0.004 0.000 2.962 100 T HA -0.039 4.310 4.350 -0.003 0.000 0.270 100 T C 1.784 176.470 174.700 -0.024 0.000 1.088 100 T CA 1.308 63.405 62.100 -0.006 0.000 1.127 100 T CB -0.417 68.451 68.868 0.001 0.000 0.883 100 T HN 0.664 nan 8.240 nan 0.000 0.493 101 R N -0.139 120.346 120.500 -0.025 0.000 2.052 101 R HA 0.160 4.498 4.340 -0.003 0.000 0.226 101 R C 2.905 179.203 176.300 -0.003 0.000 1.145 101 R CA 1.132 57.178 56.100 -0.090 0.000 0.952 101 R CB -0.860 29.348 30.300 -0.153 0.000 0.847 101 R HN 0.363 nan 8.270 nan 0.000 0.431 102 G N 0.347 109.201 108.800 0.090 0.000 2.448 102 G HA2 -0.200 3.758 3.960 -0.003 0.000 0.219 102 G HA3 -0.200 3.758 3.960 -0.003 0.000 0.219 102 G C 1.445 176.316 174.900 -0.048 0.000 1.127 102 G CA 0.760 45.876 45.100 0.026 0.000 0.766 102 G HN 0.456 nan 8.290 nan 0.000 0.552 103 G N 0.501 109.335 108.800 0.057 0.000 2.470 103 G HA2 -0.111 3.847 3.960 -0.003 0.000 0.220 103 G HA3 -0.111 3.847 3.960 -0.003 0.000 0.220 103 G C 1.626 176.481 174.900 -0.075 0.000 1.121 103 G CA 0.631 45.764 45.100 0.055 0.000 0.766 103 G HN 0.491 nan 8.290 nan 0.000 0.553 104 K N -0.308 119.985 120.400 -0.178 0.000 2.444 104 K HA 0.289 4.607 4.320 -0.003 0.000 0.193 104 K C 2.226 178.579 176.600 -0.413 0.000 1.024 104 K CA -0.330 55.713 56.287 -0.407 0.000 1.077 104 K CB -0.013 32.027 32.500 -0.766 0.000 0.833 104 K HN 0.268 nan 8.250 nan 0.000 0.517 105 M N 0.786 120.242 119.600 -0.240 0.000 2.088 105 M HA -0.276 4.202 4.480 -0.003 0.000 0.256 105 M C 2.446 178.640 176.300 -0.178 0.000 1.071 105 M CA 2.086 57.233 55.300 -0.256 0.000 1.097 105 M CB -0.536 31.761 32.600 -0.504 0.000 1.315 105 M HN 0.292 nan 8.290 nan 0.000 0.406 106 A N -0.586 122.146 122.820 -0.147 0.000 1.917 106 A HA -0.175 4.143 4.320 -0.003 0.000 0.219 106 A C 2.221 179.786 177.584 -0.031 0.000 1.182 106 A CA 2.342 54.341 52.037 -0.063 0.000 0.633 106 A CB -0.835 18.137 19.000 -0.045 0.000 0.819 106 A HN 0.514 nan 8.150 nan 0.000 0.448 107 S N -1.566 114.070 115.700 -0.106 0.000 2.453 107 S HA -0.041 4.427 4.470 -0.003 0.000 0.231 107 S C 1.215 175.890 174.600 0.125 0.000 1.005 107 S CA 0.760 58.920 58.200 -0.066 0.000 0.949 107 S CB -0.332 62.746 63.200 -0.203 0.000 0.774 107 S HN 0.652 nan 8.310 nan 0.000 0.510 108 Y N 0.726 120.997 120.300 -0.049 0.000 2.466 108 Y HA 0.372 4.920 4.550 -0.003 0.000 0.272 108 Y C 0.735 176.669 175.900 0.057 0.000 1.169 108 Y CA -0.894 57.131 58.100 -0.124 0.000 1.285 108 Y CB -0.590 37.601 38.460 -0.449 0.000 1.078 108 Y HN 0.190 nan 8.280 nan 0.000 0.523 109 M N -0.626 119.133 119.600 0.266 0.000 2.228 109 M HA 0.022 4.500 4.480 -0.003 0.000 0.326 109 M C -0.090 176.390 176.300 0.300 0.000 1.122 109 M CA -0.851 54.659 55.300 0.350 0.000 1.161 109 M CB -0.082 32.685 32.600 0.278 0.000 1.437 109 M HN 0.233 nan 8.290 nan 0.000 0.465 110 Y N 1.777 122.196 120.300 0.197 0.000 2.442 110 Y HA 0.353 4.901 4.550 -0.003 0.000 0.330 110 Y C 0.069 176.016 175.900 0.077 0.000 1.129 110 Y CA -0.150 58.009 58.100 0.098 0.000 1.365 110 Y CB 0.454 38.915 38.460 0.002 0.000 1.233 110 Y HN 0.701 nan 8.280 nan 0.000 0.529 111 T N 4.972 118.867 114.554 -1.099 0.000 2.982 111 T HA 0.326 4.674 4.350 -0.003 0.000 0.321 111 T C -2.544 171.599 174.700 -0.928 0.000 1.229 111 T CA -1.817 59.730 62.100 -0.922 0.000 1.044 111 T CB 2.143 70.817 68.868 -0.323 0.000 1.184 111 T HN 0.384 nan 8.240 nan 0.000 0.477 112 P HA 0.001 nan 4.420 nan 0.000 0.228 112 P C 1.035 178.289 177.300 -0.076 0.000 1.151 112 P CA 0.973 63.981 63.100 -0.153 0.000 0.770 112 P CB -0.092 31.604 31.700 -0.007 0.000 0.786 113 T N -5.897 108.591 114.554 -0.111 0.000 2.986 113 T HA 0.333 4.681 4.350 -0.003 0.000 0.264 113 T C 1.195 175.872 174.700 -0.039 0.000 0.964 113 T CA 0.173 62.243 62.100 -0.051 0.000 0.895 113 T CB -0.179 68.665 68.868 -0.039 0.000 1.163 113 T HN -0.004 nan 8.240 nan 0.000 0.517 114 G N 1.250 110.013 108.800 -0.062 0.000 2.504 114 G HA2 0.331 4.289 3.960 -0.003 0.000 0.257 114 G HA3 0.331 4.289 3.960 -0.003 0.000 0.257 114 G C 0.258 175.181 174.900 0.037 0.000 1.451 114 G CA -0.154 44.941 45.100 -0.008 0.000 1.059 114 G HN 0.092 nan 8.290 nan 0.000 0.550 115 D N -0.252 120.213 120.400 0.109 0.000 2.178 115 D HA -0.043 4.596 4.640 -0.003 0.000 0.201 115 D C 2.250 178.637 176.300 0.145 0.000 0.980 115 D CA 1.353 55.460 54.000 0.178 0.000 0.842 115 D CB -0.291 40.712 40.800 0.339 0.000 0.948 115 D HN 0.369 nan 8.370 nan 0.000 0.472 116 G N 0.298 109.215 108.800 0.196 0.000 3.440 116 G HA2 -0.062 3.897 3.960 -0.003 0.000 0.263 116 G HA3 -0.062 3.897 3.960 -0.003 0.000 0.263 116 G C 1.226 176.281 174.900 0.258 0.000 1.236 116 G CA -0.308 44.985 45.100 0.321 0.000 0.927 116 G HN 0.155 nan 8.290 nan 0.000 0.530 117 K N 0.634 121.075 120.400 0.069 0.000 2.103 117 K HA -0.090 4.228 4.320 -0.003 0.000 0.207 117 K C 1.307 177.964 176.600 0.095 0.000 1.048 117 K CA 1.008 57.344 56.287 0.082 0.000 0.930 117 K CB 0.139 32.635 32.500 -0.008 0.000 0.716 117 K HN 0.134 nan 8.250 nan 0.000 0.444 118 E N 1.270 121.429 120.200 -0.068 0.000 2.416 118 E HA 0.000 4.349 4.350 -0.003 0.000 0.189 118 E C -0.003 176.664 176.600 0.111 0.000 1.091 118 E CA 0.046 56.418 56.400 -0.047 0.000 0.889 118 E CB 0.083 29.628 29.700 -0.258 0.000 1.015 118 E HN 0.162 nan 8.360 nan 0.000 0.479 119 R N 0.535 121.086 120.500 0.084 0.000 2.734 119 R HA 0.133 4.471 4.340 -0.003 0.000 0.266 119 R C 0.522 176.699 176.300 -0.206 0.000 1.044 119 R CA -0.101 55.872 56.100 -0.212 0.000 1.128 119 R CB 0.366 30.484 30.300 -0.303 0.000 1.010 119 R HN 0.115 nan 8.270 nan 0.000 0.461 120 L N 1.796 122.859 121.223 -0.267 0.000 2.361 120 L HA 0.067 4.405 4.340 -0.003 0.000 0.278 120 L C 1.077 177.812 176.870 -0.225 0.000 1.113 120 L CA 0.263 54.975 54.840 -0.213 0.000 0.849 120 L CB 0.927 42.856 42.059 -0.217 0.000 1.155 120 L HN 0.592 nan 8.230 nan 0.000 0.452 121 S N 2.095 117.687 115.700 -0.180 0.000 2.539 121 S HA 0.484 4.953 4.470 -0.003 0.000 0.221 121 S C 0.275 174.827 174.600 -0.080 0.000 0.987 121 S CA 0.087 58.190 58.200 -0.162 0.000 0.929 121 S CB 0.620 63.731 63.200 -0.148 0.000 0.832 121 S HN 0.767 nan 8.310 nan 0.000 0.492 122 A N 1.390 124.149 122.820 -0.101 0.000 2.567 122 A HA 0.623 4.942 4.320 -0.003 0.000 0.291 122 A C -3.327 174.108 177.584 -0.249 0.000 1.048 122 A CA -1.333 50.635 52.037 -0.115 0.000 0.661 122 A CB 0.017 18.975 19.000 -0.069 0.000 1.288 122 A HN -0.038 nan 8.150 nan 0.000 0.424 123 P HA 0.300 nan 4.420 nan 0.000 0.265 123 P C -0.558 176.601 177.300 -0.235 0.000 1.187 123 P CA 0.324 63.126 63.100 -0.497 0.000 0.766 123 P CB 0.371 31.646 31.700 -0.709 0.000 0.820 124 R N 2.488 122.902 120.500 -0.143 0.000 2.621 124 R HA 0.691 5.030 4.340 -0.003 0.000 0.292 124 R C -1.609 174.863 176.300 0.288 0.000 0.969 124 R CA -0.935 55.200 56.100 0.059 0.000 0.887 124 R CB 0.894 31.183 30.300 -0.019 0.000 1.180 124 R HN 0.338 nan 8.270 nan 0.000 0.450 125 L N 3.447 124.868 121.223 0.330 0.000 2.381 125 L HA 0.420 4.758 4.340 -0.003 0.000 0.268 125 L C -1.590 175.248 176.870 -0.052 0.000 0.997 125 L CA -0.661 54.300 54.840 0.202 0.000 0.818 125 L CB 1.579 43.651 42.059 0.023 0.000 1.310 125 L HN 0.632 nan 8.230 nan 0.000 0.416 126 Y N 4.399 124.363 120.300 -0.560 0.000 2.393 126 Y HA 0.638 5.186 4.550 -0.003 0.000 0.338 126 Y C -0.197 175.481 175.900 -0.369 0.000 1.029 126 Y CA 0.442 57.996 58.100 -0.909 0.000 1.239 126 Y CB 0.696 38.557 38.460 -0.999 0.000 1.170 126 Y HN 0.797 nan 8.280 nan 0.000 0.515 127 A N 4.242 126.674 122.820 -0.647 0.000 2.540 127 A HA 0.634 4.953 4.320 -0.003 0.000 0.297 127 A C 0.099 177.445 177.584 -0.397 0.000 1.056 127 A CA -0.498 51.337 52.037 -0.337 0.000 0.700 127 A CB 0.558 19.467 19.000 -0.151 0.000 1.280 127 A HN 1.857 nan 8.150 nan 0.000 0.398 128 A N 2.263 124.936 122.820 -0.246 0.000 2.822 128 A HA -0.008 4.311 4.320 -0.003 0.000 0.287 128 A C 0.424 177.847 177.584 -0.269 0.000 1.479 128 A CA 1.495 53.419 52.037 -0.188 0.000 0.779 128 A CB -2.216 16.702 19.000 -0.137 0.000 1.022 128 A HN 2.117 nan 8.150 nan 0.000 0.532 129 D N -1.603 118.552 120.400 -0.408 0.000 2.723 129 D HA -0.167 4.472 4.640 -0.003 0.000 0.236 129 D C 0.182 176.162 176.300 -0.534 0.000 1.138 129 D CA 2.272 56.034 54.000 -0.397 0.000 0.676 129 D CB -1.205 39.555 40.800 -0.068 0.000 1.069 129 D HN 1.414 nan 8.370 nan 0.000 0.430 130 E N -2.606 117.027 120.200 -0.946 0.000 2.427 130 E HA 0.461 4.810 4.350 -0.003 0.000 0.279 130 E C -1.159 175.040 176.600 -0.667 0.000 1.120 130 E CA -1.141 54.917 56.400 -0.569 0.000 0.869 130 E CB 0.365 29.944 29.700 -0.202 0.000 1.393 130 E HN 0.005 nan 8.360 nan 0.000 0.443 131 W N 1.225 122.420 121.300 -0.175 0.000 2.496 131 W HA 0.572 5.231 4.660 -0.002 0.000 0.327 131 W C -0.293 176.178 176.519 -0.080 0.000 1.086 131 W CA -0.387 56.897 57.345 -0.103 0.000 1.222 131 W CB 1.962 31.405 29.460 -0.028 0.000 1.304 131 W HN 0.538 nan 8.180 nan 0.000 0.547 132 V N -0.398 119.621 119.914 0.175 0.000 3.049 132 V HA 0.518 4.637 4.120 -0.003 0.000 0.309 132 V C -0.350 175.799 176.094 0.093 0.000 1.148 132 V CA -1.180 61.175 62.300 0.092 0.000 0.990 132 V CB 1.700 33.539 31.823 0.026 0.000 1.039 132 V HN 0.473 nan 8.190 nan 0.000 0.430 133 D N 1.372 121.803 120.400 0.051 0.000 2.363 133 D HA 0.525 5.163 4.640 -0.003 0.000 0.240 133 D C 0.070 176.378 176.300 0.014 0.000 1.236 133 D CA 0.425 54.434 54.000 0.015 0.000 0.927 133 D CB 1.509 42.310 40.800 0.001 0.000 1.150 133 D HN 0.932 nan 8.370 nan 0.000 0.458 134 T N -1.446 113.093 114.554 -0.026 0.000 2.786 134 T HA 0.348 4.696 4.350 -0.003 0.000 0.316 134 T C -0.832 173.845 174.700 -0.038 0.000 1.503 134 T CA -0.721 61.381 62.100 0.003 0.000 1.019 134 T CB 1.140 69.974 68.868 -0.058 0.000 1.415 134 T HN 0.437 nan 8.240 nan 0.000 0.496 135 T N 0.047 114.630 114.554 0.048 0.000 2.828 135 T HA 0.278 4.627 4.350 -0.003 0.000 0.290 135 T C 0.989 175.704 174.700 0.026 0.000 1.019 135 T CA -0.291 61.848 62.100 0.064 0.000 1.031 135 T CB 0.672 69.614 68.868 0.123 0.000 1.001 135 T HN 0.738 nan 8.240 nan 0.000 0.531 136 W N 0.300 121.612 121.300 0.019 0.000 2.402 136 W HA 0.022 4.681 4.660 -0.002 0.000 0.286 136 W C 1.993 178.526 176.519 0.024 0.000 1.221 136 W CA 0.813 58.160 57.345 0.003 0.000 1.257 136 W CB -0.138 29.318 29.460 -0.007 0.000 1.120 136 W HN 0.760 nan 8.180 nan 0.000 0.551 137 D N -1.922 118.631 120.400 0.255 0.000 2.117 137 D HA -0.224 4.415 4.640 -0.003 0.000 0.198 137 D C 1.808 178.214 176.300 0.176 0.000 0.982 137 D CA 1.558 55.664 54.000 0.177 0.000 0.828 137 D CB -0.784 40.090 40.800 0.125 0.000 0.967 137 D HN 0.374 nan 8.370 nan 0.000 0.464 138 H N 0.084 119.180 119.070 0.043 0.000 2.389 138 H HA -0.008 4.546 4.556 -0.003 0.000 0.299 138 H C 1.891 177.229 175.328 0.016 0.000 1.081 138 H CA 1.095 57.153 56.048 0.018 0.000 1.345 138 H CB 0.341 30.107 29.762 0.006 0.000 1.393 138 H HN 0.075 nan 8.280 nan 0.000 0.520 139 A N 1.235 124.038 122.820 -0.030 0.000 1.873 139 A HA -0.156 4.162 4.320 -0.003 0.000 0.215 139 A C 2.391 179.993 177.584 0.030 0.000 1.186 139 A CA 1.459 53.419 52.037 -0.129 0.000 0.616 139 A CB -0.394 18.425 19.000 -0.301 0.000 0.823 139 A HN 0.376 nan 8.150 nan 0.000 0.442 140 M N -0.367 119.297 119.600 0.106 0.000 2.175 140 M HA -0.063 4.416 4.480 -0.003 0.000 0.264 140 M C 2.485 178.845 176.300 0.100 0.000 1.063 140 M CA 1.481 56.871 55.300 0.150 0.000 1.119 140 M CB -1.536 31.163 32.600 0.164 0.000 1.377 140 M HN 0.489 nan 8.290 nan 0.000 0.415 141 A N 0.086 122.956 122.820 0.083 0.000 1.902 141 A HA -0.144 4.174 4.320 -0.003 0.000 0.217 141 A C 2.255 179.847 177.584 0.013 0.000 1.181 141 A CA 1.327 53.386 52.037 0.037 0.000 0.623 141 A CB -0.831 18.206 19.000 0.062 0.000 0.818 141 A HN 0.403 nan 8.150 nan 0.000 0.443 142 L N -2.150 119.105 121.223 0.054 0.000 2.044 142 L HA -0.059 4.279 4.340 -0.003 0.000 0.205 142 L C 2.305 179.133 176.870 -0.069 0.000 1.075 142 L CA 2.020 56.851 54.840 -0.015 0.000 0.747 142 L CB -0.676 41.387 42.059 0.006 0.000 0.903 142 L HN 0.510 nan 8.230 nan 0.000 0.435 143 Y N -0.148 120.099 120.300 -0.089 0.000 2.130 143 Y HA -0.109 4.440 4.550 -0.003 0.000 0.287 143 Y C 2.403 178.249 175.900 -0.089 0.000 1.124 143 Y CA 1.728 59.792 58.100 -0.060 0.000 1.118 143 Y CB -0.582 37.887 38.460 0.015 0.000 0.994 143 Y HN 0.196 nan 8.280 nan 0.000 0.497 144 A N 0.012 122.826 122.820 -0.010 0.000 1.972 144 A HA -0.057 4.261 4.320 -0.003 0.000 0.219 144 A C 2.432 179.872 177.584 -0.240 0.000 1.169 144 A CA 1.520 53.460 52.037 -0.161 0.000 0.635 144 A CB -1.682 17.247 19.000 -0.119 0.000 0.810 144 A HN 0.613 nan 8.150 nan 0.000 0.446 145 G N 0.123 108.807 108.800 -0.193 0.000 2.459 145 G HA2 -0.228 3.730 3.960 -0.003 0.000 0.217 145 G HA3 -0.228 3.730 3.960 -0.003 0.000 0.217 145 G C 1.529 176.278 174.900 -0.250 0.000 1.183 145 G CA 1.162 46.134 45.100 -0.213 0.000 0.776 145 G HN 0.443 nan 8.290 nan 0.000 0.552 146 L N 0.069 121.118 121.223 -0.291 0.000 2.141 146 L HA 0.069 4.408 4.340 -0.003 0.000 0.209 146 L C 2.818 179.555 176.870 -0.221 0.000 1.094 146 L CA 0.405 55.080 54.840 -0.275 0.000 0.763 146 L CB -0.219 41.593 42.059 -0.411 0.000 0.908 146 L HN 0.218 nan 8.230 nan 0.000 0.437 147 I N -0.255 120.147 120.570 -0.281 0.000 2.286 147 I HA -0.282 3.887 4.170 -0.003 0.000 0.245 147 I C 2.656 178.707 176.117 -0.111 0.000 1.104 147 I CA 1.168 62.352 61.300 -0.193 0.000 1.397 147 I CB -0.227 37.628 38.000 -0.241 0.000 1.072 147 I HN 0.244 nan 8.210 nan 0.000 0.417 148 K N 1.664 121.945 120.400 -0.198 0.000 2.026 148 K HA -0.248 4.070 4.320 -0.003 0.000 0.208 148 K C 2.232 178.748 176.600 -0.141 0.000 1.048 148 K CA 1.611 57.773 56.287 -0.208 0.000 0.929 148 K CB -0.042 32.164 32.500 -0.490 0.000 0.713 148 K HN 0.054 nan 8.250 nan 0.000 0.439 149 K N -0.189 120.075 120.400 -0.226 0.000 2.097 149 K HA -0.104 4.214 4.320 -0.003 0.000 0.206 149 K C 1.732 178.132 176.600 -0.334 0.000 1.049 149 K CA 1.852 57.937 56.287 -0.336 0.000 0.933 149 K CB 0.012 32.230 32.500 -0.469 0.000 0.717 149 K HN 0.158 nan 8.250 nan 0.000 0.442 150 T N 1.371 115.848 114.554 -0.128 0.000 2.812 150 T HA -0.038 4.310 4.350 -0.003 0.000 0.264 150 T C 1.697 176.436 174.700 0.065 0.000 1.042 150 T CA 0.963 63.106 62.100 0.070 0.000 1.140 150 T CB -0.053 68.894 68.868 0.131 0.000 0.870 150 T HN 0.143 nan 8.240 nan 0.000 0.445 151 L N 0.912 122.176 121.223 0.068 0.000 2.083 151 L HA -0.123 4.216 4.340 -0.003 0.000 0.209 151 L C 2.396 179.318 176.870 0.086 0.000 1.083 151 L CA 1.122 56.028 54.840 0.111 0.000 0.752 151 L CB -0.522 41.659 42.059 0.204 0.000 0.899 151 L HN 0.191 nan 8.230 nan 0.000 0.433 152 D N -0.616 119.820 120.400 0.061 0.000 2.097 152 D HA -0.115 4.523 4.640 -0.003 0.000 0.197 152 D C 2.355 178.659 176.300 0.005 0.000 0.984 152 D CA 1.446 55.468 54.000 0.038 0.000 0.826 152 D CB 0.055 40.858 40.800 0.005 0.000 0.973 152 D HN 0.161 nan 8.370 nan 0.000 0.460 153 S N 0.069 115.754 115.700 -0.024 0.000 2.404 153 S HA -0.006 4.463 4.470 -0.003 0.000 0.223 153 S C 1.230 175.875 174.600 0.075 0.000 1.040 153 S CA 0.552 58.761 58.200 0.016 0.000 0.957 153 S CB 0.339 63.537 63.200 -0.002 0.000 0.826 153 S HN 0.204 nan 8.310 nan 0.000 0.491 154 D N 0.217 120.679 120.400 0.104 0.000 2.422 154 D HA 0.333 4.971 4.640 -0.003 0.000 0.218 154 D C 1.145 177.494 176.300 0.082 0.000 1.047 154 D CA 0.874 54.941 54.000 0.111 0.000 0.885 154 D CB 0.636 41.528 40.800 0.153 0.000 1.035 154 D HN 0.424 nan 8.370 nan 0.000 0.502 155 G N 1.324 110.170 108.800 0.076 0.000 2.710 155 G HA2 -0.185 3.773 3.960 -0.003 0.000 0.668 155 G HA3 -0.185 3.773 3.960 -0.003 0.000 0.668 155 G C -2.250 172.695 174.900 0.074 0.000 1.320 155 G CA -0.564 44.572 45.100 0.060 0.000 0.860 155 G HN -0.124 nan 8.290 nan 0.000 0.538 156 P HA -0.185 nan 4.420 nan 0.000 0.217 156 P C 2.067 179.403 177.300 0.060 0.000 1.151 156 P CA 2.246 65.383 63.100 0.062 0.000 0.849 156 P CB -0.031 31.679 31.700 0.017 0.000 0.787 157 Q N -0.905 118.922 119.800 0.044 0.000 2.449 157 Q HA -0.099 4.239 4.340 -0.003 0.000 0.214 157 Q C 1.809 177.907 176.000 0.164 0.000 0.986 157 Q CA 2.039 57.873 55.803 0.051 0.000 0.893 157 Q CB -1.558 27.214 28.738 0.056 0.000 0.940 157 Q HN 0.279 nan 8.270 nan 0.000 0.477 158 G N 0.608 109.516 108.800 0.181 0.000 2.939 158 G HA2 0.266 4.224 3.960 -0.003 0.000 0.210 158 G HA3 0.266 4.224 3.960 -0.003 0.000 0.210 158 G C 0.178 175.254 174.900 0.293 0.000 1.160 158 G CA -0.165 45.083 45.100 0.247 0.000 0.770 158 G HN 0.164 nan 8.290 nan 0.000 0.543 159 V N 1.482 121.535 119.914 0.233 0.000 2.350 159 V HA 0.495 4.613 4.120 -0.003 0.000 0.276 159 V C -0.802 175.397 176.094 0.174 0.000 1.028 159 V CA -0.775 61.625 62.300 0.166 0.000 0.860 159 V CB 0.677 32.576 31.823 0.128 0.000 0.990 159 V HN 0.139 nan 8.190 nan 0.000 0.453 160 F N 4.314 124.153 119.950 -0.184 0.000 2.458 160 F HA 0.746 5.272 4.527 -0.002 0.000 0.330 160 F C -0.217 175.354 175.800 -0.382 0.000 1.082 160 F CA -0.534 57.377 58.000 -0.148 0.000 0.995 160 F CB 1.833 40.753 39.000 -0.133 0.000 1.170 160 F HN 0.314 nan 8.300 nan 0.000 0.478 161 F N 0.661 120.697 119.950 0.145 0.000 2.599 161 F HA 0.460 4.986 4.527 -0.001 0.000 0.311 161 F C -0.280 175.566 175.800 0.077 0.000 1.076 161 F CA -0.839 57.226 58.000 0.109 0.000 0.937 161 F CB 2.300 41.394 39.000 0.158 0.000 1.282 161 F HN 0.169 nan 8.300 nan 0.000 0.460 162 S N 2.076 117.932 115.700 0.259 0.000 2.746 162 S HA 0.569 5.037 4.470 -0.003 0.000 0.273 162 S C -1.488 173.329 174.600 0.360 0.000 1.172 162 S CA -0.362 57.992 58.200 0.257 0.000 1.116 162 S CB 0.621 63.928 63.200 0.178 0.000 1.057 162 S HN 0.786 nan 8.310 nan 0.000 0.483 163 C N 6.188 125.654 119.300 0.276 0.000 2.712 163 C HA 0.831 5.289 4.460 -0.003 0.000 0.308 163 C C -0.136 174.862 174.990 0.013 0.000 1.201 163 C CA -1.403 57.676 59.018 0.102 0.000 1.554 163 C CB 0.055 27.656 27.740 -0.232 0.000 2.117 163 C HN 0.878 nan 8.230 nan 0.000 0.480 164 F N 3.347 123.362 119.950 0.109 0.000 2.586 164 F HA 0.365 4.889 4.527 -0.004 0.000 0.344 164 F C 0.971 176.758 175.800 -0.021 0.000 1.188 164 F CA 0.323 58.291 58.000 -0.053 0.000 1.359 164 F CB 0.414 39.091 39.000 -0.539 0.000 1.129 164 F HN 0.663 nan 8.300 nan 0.000 0.609 165 D N -1.023 119.506 120.400 0.213 0.000 2.538 165 D HA 0.046 4.684 4.640 -0.003 0.000 0.241 165 D C -0.013 176.489 176.300 0.337 0.000 1.297 165 D CA -0.028 54.145 54.000 0.288 0.000 0.804 165 D CB -0.988 40.041 40.800 0.380 0.000 1.122 165 D HN 0.812 nan 8.370 nan 0.000 0.519 166 H N -0.718 118.498 119.070 0.243 0.000 2.645 166 H HA 0.767 5.321 4.556 -0.003 0.000 0.308 166 H C 0.810 176.151 175.328 0.022 0.000 1.495 166 H CA -0.255 55.848 56.048 0.093 0.000 1.518 166 H CB 0.384 30.076 29.762 -0.117 0.000 1.752 166 H HN -0.017 nan 8.280 nan 0.000 0.797 167 G N -2.479 106.490 108.800 0.281 0.000 2.828 167 G HA2 0.520 4.478 3.960 -0.003 0.000 0.244 167 G HA3 0.520 4.478 3.960 -0.003 0.000 0.244 167 G C 0.256 175.268 174.900 0.186 0.000 1.365 167 G CA -0.599 44.552 45.100 0.085 0.000 1.041 167 G HN 1.145 nan 8.290 nan 0.000 0.560 168 G N -1.074 107.743 108.800 0.029 0.000 2.601 168 G HA2 0.311 4.270 3.960 -0.003 0.000 0.252 168 G HA3 0.311 4.270 3.960 -0.003 0.000 0.252 168 G C 0.567 175.439 174.900 -0.048 0.000 1.294 168 G CA 0.296 45.397 45.100 0.003 0.000 0.912 168 G HN 2.043 nan 8.290 nan 0.000 0.574 169 A N -0.252 122.512 122.820 -0.093 0.000 2.520 169 A HA 0.637 4.955 4.320 -0.003 0.000 0.245 169 A C 1.949 179.542 177.584 0.015 0.000 1.072 169 A CA 1.974 53.922 52.037 -0.148 0.000 0.761 169 A CB -0.338 18.520 19.000 -0.237 0.000 1.004 169 A HN 2.913 nan 8.150 nan 0.000 0.499 170 G N 1.063 109.774 108.800 -0.149 0.000 2.160 170 G HA2 0.240 4.198 3.960 -0.003 0.000 0.244 170 G HA3 0.240 4.198 3.960 -0.003 0.000 0.244 170 G C 0.831 175.221 174.900 -0.850 0.000 1.022 170 G CA 0.754 45.650 45.100 -0.340 0.000 0.741 170 G HN 2.443 nan 8.290 nan 0.000 0.508 171 G N -2.103 106.301 108.800 -0.660 0.000 2.578 171 G HA2 0.935 4.893 3.960 -0.003 0.000 0.302 171 G HA3 0.935 4.893 3.960 -0.003 0.000 0.302 171 G C 0.338 175.071 174.900 -0.279 0.000 1.243 171 G CA 1.032 45.742 45.100 -0.650 0.000 0.843 171 G HN 2.426 nan 8.290 nan 0.000 0.486 172 G N -2.227 106.481 108.800 -0.153 0.000 2.539 172 G HA2 0.241 4.200 3.960 -0.003 0.000 0.686 172 G HA3 0.241 4.200 3.960 -0.003 0.000 0.686 172 G C 0.268 175.134 174.900 -0.056 0.000 1.258 172 G CA 0.096 45.103 45.100 -0.155 0.000 0.846 172 G HN 0.976 nan 8.290 nan 0.000 0.647 173 F N 0.473 120.493 119.950 0.116 0.000 2.216 173 F HA -0.018 4.510 4.527 0.001 0.000 0.300 173 F C 2.598 178.523 175.800 0.209 0.000 1.085 173 F CA 1.971 60.087 58.000 0.193 0.000 1.326 173 F CB 0.039 39.170 39.000 0.219 0.000 1.027 173 F HN 0.597 nan 8.300 nan 0.000 0.497 174 E N 0.147 120.549 120.200 0.336 0.000 2.046 174 E HA -0.138 4.210 4.350 -0.003 0.000 0.190 174 E C 1.828 178.547 176.600 0.199 0.000 0.982 174 E CA 1.080 57.620 56.400 0.234 0.000 0.800 174 E CB -0.380 29.409 29.700 0.149 0.000 0.756 174 E HN 0.210 nan 8.360 nan 0.000 0.449 175 N N -0.085 118.709 118.700 0.156 0.000 2.244 175 N HA -0.095 4.643 4.740 -0.003 0.000 0.183 175 N C 1.848 177.497 175.510 0.232 0.000 1.016 175 N CA 1.775 54.930 53.050 0.175 0.000 0.866 175 N CB -0.540 37.974 38.487 0.044 0.000 0.980 175 N HN 0.375 nan 8.380 nan 0.000 0.430 176 T N -2.228 112.456 114.554 0.216 0.000 2.857 176 T HA -0.114 4.234 4.350 -0.003 0.000 0.266 176 T C 1.727 176.404 174.700 -0.038 0.000 1.048 176 T CA 0.401 62.522 62.100 0.035 0.000 1.139 176 T CB -0.586 68.268 68.868 -0.023 0.000 0.874 176 T HN 0.394 nan 8.240 nan 0.000 0.455 177 W N 2.418 123.681 121.300 -0.060 0.000 2.354 177 W HA -0.079 4.582 4.660 0.003 0.000 0.315 177 W C 2.354 178.886 176.519 0.021 0.000 1.206 177 W CA 1.167 58.485 57.345 -0.044 0.000 1.290 177 W CB -0.751 28.707 29.460 -0.003 0.000 1.152 177 W HN 0.401 nan 8.180 nan 0.000 0.489 178 G N 0.559 109.401 108.800 0.070 0.000 2.491 178 G HA2 -0.390 3.568 3.960 -0.003 0.000 0.218 178 G HA3 -0.390 3.568 3.960 -0.003 0.000 0.218 178 G C 1.479 176.352 174.900 -0.045 0.000 1.180 178 G CA 2.592 47.804 45.100 0.188 0.000 0.774 178 G HN 0.395 nan 8.290 nan 0.000 0.562 179 T N -1.198 113.171 114.554 -0.309 0.000 2.904 179 T HA 0.111 4.460 4.350 -0.003 0.000 0.267 179 T C 2.430 176.712 174.700 -0.697 0.000 1.059 179 T CA 1.500 63.196 62.100 -0.672 0.000 1.137 179 T CB -0.454 67.722 68.868 -1.154 0.000 0.879 179 T HN 0.269 nan 8.240 nan 0.000 0.467 180 G N 1.266 109.653 108.800 -0.687 0.000 2.403 180 G HA2 -0.094 3.865 3.960 -0.003 0.000 0.216 180 G HA3 -0.094 3.865 3.960 -0.003 0.000 0.216 180 G C 1.566 176.040 174.900 -0.710 0.000 1.154 180 G CA 0.678 45.237 45.100 -0.903 0.000 0.784 180 G HN 0.544 nan 8.290 nan 0.000 0.538 181 K N -0.290 119.715 120.400 -0.658 0.000 2.026 181 K HA -0.032 4.286 4.320 -0.003 0.000 0.208 181 K C 2.419 178.958 176.600 -0.102 0.000 1.048 181 K CA 1.230 57.202 56.287 -0.525 0.000 0.929 181 K CB -0.277 31.740 32.500 -0.806 0.000 0.713 181 K HN 0.241 nan 8.250 nan 0.000 0.439 182 L N 1.035 122.260 121.223 0.002 0.000 2.083 182 L HA -0.145 4.194 4.340 -0.003 0.000 0.209 182 L C 2.061 178.847 176.870 -0.139 0.000 1.083 182 L CA 1.697 56.504 54.840 -0.055 0.000 0.752 182 L CB -0.180 41.833 42.059 -0.078 0.000 0.899 182 L HN 0.274 nan 8.230 nan 0.000 0.433 183 M N -2.214 117.174 119.600 -0.354 0.000 2.248 183 M HA -0.055 4.424 4.480 -0.003 0.000 0.265 183 M C 2.131 178.435 176.300 0.007 0.000 1.079 183 M CA 1.599 56.686 55.300 -0.356 0.000 1.150 183 M CB -0.289 31.865 32.600 -0.744 0.000 1.366 183 M HN 0.196 nan 8.290 nan 0.000 0.433 184 F N -0.923 118.880 119.950 -0.245 0.000 2.317 184 F HA 0.025 4.550 4.527 -0.004 0.000 0.290 184 F C 2.375 178.058 175.800 -0.196 0.000 1.075 184 F CA 0.163 58.026 58.000 -0.229 0.000 1.380 184 F CB 0.026 38.889 39.000 -0.228 0.000 1.093 184 F HN 0.033 nan 8.300 nan 0.000 0.524 185 S N -0.268 115.435 115.700 0.004 0.000 2.483 185 S HA 0.184 4.653 4.470 -0.003 0.000 0.221 185 S C 1.718 176.225 174.600 -0.154 0.000 1.030 185 S CA 0.552 58.713 58.200 -0.065 0.000 0.925 185 S CB 0.273 63.433 63.200 -0.066 0.000 0.795 185 S HN 0.290 nan 8.310 nan 0.000 0.511 186 A N 1.537 124.243 122.820 -0.190 0.000 1.941 186 A HA 0.365 4.683 4.320 -0.003 0.000 0.214 186 A C 1.820 179.076 177.584 -0.547 0.000 1.368 186 A CA 0.264 51.992 52.037 -0.515 0.000 0.651 186 A CB -0.634 18.150 19.000 -0.361 0.000 1.064 186 A HN 0.343 nan 8.150 nan 0.000 0.492 187 I N -0.447 120.062 120.570 -0.101 0.000 2.439 187 I HA -0.194 3.975 4.170 -0.003 0.000 0.251 187 I C 0.405 176.536 176.117 0.024 0.000 1.139 187 I CA 1.102 62.470 61.300 0.114 0.000 1.438 187 I CB -0.333 37.835 38.000 0.281 0.000 1.085 187 I HN 0.478 nan 8.210 nan 0.000 0.427 188 Q N 0.455 120.243 119.800 -0.019 0.000 2.494 188 Q HA -0.212 4.126 4.340 -0.003 0.000 0.272 188 Q C 0.418 176.392 176.000 -0.045 0.000 1.145 188 Q CA 0.682 56.454 55.803 -0.052 0.000 0.943 188 Q CB -2.430 26.248 28.738 -0.100 0.000 1.338 188 Q HN 0.497 nan 8.270 nan 0.000 0.492 189 T N 0.762 115.338 114.554 0.037 0.000 2.889 189 T HA 0.395 4.744 4.350 -0.003 0.000 0.291 189 T C -1.654 173.003 174.700 -0.071 0.000 0.995 189 T CA -1.559 60.556 62.100 0.024 0.000 1.092 189 T CB 1.168 70.132 68.868 0.160 0.000 0.954 189 T HN 0.063 nan 8.240 nan 0.000 0.506 190 P HA 0.224 nan 4.420 nan 0.000 0.275 190 P C 0.125 177.417 177.300 -0.012 0.000 1.310 190 P CA -0.186 62.745 63.100 -0.282 0.000 0.904 190 P CB 0.365 31.859 31.700 -0.344 0.000 1.381 191 M N 1.069 120.594 119.600 -0.126 0.000 3.586 191 M HA 0.228 4.706 4.480 -0.003 0.000 0.225 191 M C -0.354 175.888 176.300 -0.097 0.000 1.428 191 M CA -0.363 54.711 55.300 -0.377 0.000 1.613 191 M CB -0.488 31.410 32.600 -1.171 0.000 1.063 191 M HN -0.271 nan 8.290 nan 0.000 0.593 192 V N 2.317 122.347 119.914 0.194 0.000 2.577 192 V HA 0.591 4.709 4.120 -0.003 0.000 0.303 192 V C 0.027 176.358 176.094 0.395 0.000 1.042 192 V CA -0.946 61.566 62.300 0.354 0.000 0.872 192 V CB 2.441 34.542 31.823 0.463 0.000 0.998 192 V HN 0.730 nan 8.190 nan 0.000 0.423 193 R N 4.490 125.195 120.500 0.342 0.000 2.923 193 R HA 0.868 5.207 4.340 -0.003 0.000 0.252 193 R C -1.007 175.461 176.300 0.280 0.000 1.130 193 R CA -0.890 55.383 56.100 0.288 0.000 1.043 193 R CB 1.670 32.114 30.300 0.240 0.000 1.205 193 R HN 0.482 nan 8.270 nan 0.000 0.495 194 I N 1.377 122.048 120.570 0.168 0.000 2.793 194 I HA 0.124 4.292 4.170 -0.003 0.000 0.313 194 I C 1.761 177.965 176.117 0.144 0.000 0.998 194 I CA -1.099 60.278 61.300 0.127 0.000 1.140 194 I CB 1.469 39.443 38.000 -0.044 0.000 1.327 194 I HN 0.872 nan 8.210 nan 0.000 0.491 195 H N 3.144 122.364 119.070 0.251 0.000 2.390 195 H HA -0.168 4.386 4.556 -0.003 0.000 0.298 195 H C 0.885 176.399 175.328 0.310 0.000 1.106 195 H CA 2.167 58.402 56.048 0.312 0.000 1.297 195 H CB -0.552 29.418 29.762 0.346 0.000 1.375 195 H HN 0.741 nan 8.280 nan 0.000 0.509 196 N N 0.752 119.237 118.700 -0.358 0.000 2.197 196 N HA 0.003 4.742 4.740 -0.003 0.000 0.201 196 N C 0.081 175.634 175.510 0.073 0.000 1.148 196 N CA -0.322 52.722 53.050 -0.009 0.000 0.883 196 N CB 0.488 39.057 38.487 0.137 0.000 1.012 196 N HN 0.510 nan 8.380 nan 0.000 0.507 197 R N -0.255 120.265 120.500 0.034 0.000 2.621 197 R HA 0.440 4.779 4.340 -0.003 0.000 0.284 197 R C -2.646 173.650 176.300 -0.006 0.000 0.998 197 R CA -1.572 54.533 56.100 0.008 0.000 0.895 197 R CB 1.559 31.904 30.300 0.075 0.000 1.195 197 R HN -0.211 nan 8.270 nan 0.000 0.450 198 P HA -0.016 nan 4.420 nan 0.000 0.259 198 P C -0.600 176.685 177.300 -0.025 0.000 1.307 198 P CA 0.687 63.756 63.100 -0.052 0.000 0.768 198 P CB 0.225 31.763 31.700 -0.270 0.000 1.199 199 A N -0.848 121.959 122.820 -0.022 0.000 2.581 199 A HA 0.429 4.748 4.320 -0.003 0.000 0.290 199 A C -1.796 175.788 177.584 0.000 0.000 1.119 199 A CA -0.711 51.336 52.037 0.016 0.000 0.670 199 A CB 0.209 19.181 19.000 -0.045 0.000 1.280 199 A HN -0.056 nan 8.150 nan 0.000 0.425 200 Y N 2.664 122.876 120.300 -0.147 0.000 2.636 200 Y HA 0.386 4.934 4.550 -0.003 0.000 0.341 200 Y C 0.415 176.187 175.900 -0.214 0.000 1.169 200 Y CA 0.294 58.255 58.100 -0.232 0.000 1.498 200 Y CB -0.059 38.035 38.460 -0.609 0.000 1.362 200 Y HN 0.867 nan 8.280 nan 0.000 0.494 201 N N 0.744 119.283 118.700 -0.270 0.000 3.343 201 N HA 0.523 5.261 4.740 -0.003 0.000 0.330 201 N C -1.475 173.933 175.510 -0.171 0.000 1.560 201 N CA -1.035 51.988 53.050 -0.045 0.000 0.752 201 N CB 1.414 39.983 38.487 0.135 0.000 1.863 201 N HN 0.164 nan 8.380 nan 0.000 0.636 202 S N -1.912 113.649 115.700 -0.232 0.000 2.542 202 S HA 0.345 4.813 4.470 -0.003 0.000 0.293 202 S C -0.071 174.369 174.600 -0.267 0.000 1.089 202 S CA -0.567 57.372 58.200 -0.435 0.000 0.961 202 S CB 1.033 63.780 63.200 -0.756 0.000 1.062 202 S HN 0.518 nan 8.310 nan 0.000 0.483 203 E N 1.573 121.697 120.200 -0.127 0.000 2.358 203 E HA 0.029 4.378 4.350 -0.003 0.000 0.195 203 E C 0.084 176.669 176.600 -0.026 0.000 1.010 203 E CA 0.555 56.940 56.400 -0.024 0.000 0.856 203 E CB 0.070 29.724 29.700 -0.078 0.000 0.795 203 E HN 0.554 nan 8.360 nan 0.000 0.504 204 C N 1.276 120.513 119.300 -0.104 0.000 2.667 204 C HA 0.263 4.722 4.460 -0.003 0.000 0.261 204 C C 1.375 176.321 174.990 -0.074 0.000 1.590 204 C CA -0.875 58.113 59.018 -0.050 0.000 1.668 204 C CB -1.167 26.580 27.740 0.012 0.000 2.962 204 C HN 0.433 nan 8.230 nan 0.000 0.525 205 H N 1.378 120.483 119.070 0.057 0.000 2.290 205 H HA -0.142 4.413 4.556 -0.002 0.000 0.298 205 H C 2.312 177.640 175.328 0.001 0.000 1.087 205 H CA 2.211 58.317 56.048 0.097 0.000 1.291 205 H CB -0.296 29.616 29.762 0.251 0.000 1.369 205 H HN 0.588 nan 8.280 nan 0.000 0.492 206 A N 0.196 122.947 122.820 -0.116 0.000 1.851 206 A HA -0.229 4.090 4.320 -0.003 0.000 0.216 206 A C 2.703 180.139 177.584 -0.247 0.000 1.195 206 A CA 2.717 54.459 52.037 -0.492 0.000 0.622 206 A CB -1.286 17.192 19.000 -0.871 0.000 0.831 206 A HN 0.492 nan 8.150 nan 0.000 0.444 207 T N -1.171 113.272 114.554 -0.185 0.000 2.720 207 T HA -0.187 4.161 4.350 -0.003 0.000 0.268 207 T C 2.074 176.734 174.700 -0.067 0.000 1.037 207 T CA 1.876 63.897 62.100 -0.131 0.000 1.144 207 T CB -0.302 68.531 68.868 -0.058 0.000 0.864 207 T HN 0.538 nan 8.240 nan 0.000 0.444 208 R N 0.358 120.849 120.500 -0.016 0.000 2.081 208 R HA -0.025 4.314 4.340 -0.003 0.000 0.235 208 R C 2.632 178.943 176.300 0.018 0.000 1.131 208 R CA 1.847 57.963 56.100 0.026 0.000 0.960 208 R CB -0.187 30.138 30.300 0.042 0.000 0.856 208 R HN 0.574 nan 8.270 nan 0.000 0.436 209 E N 0.249 120.460 120.200 0.018 0.000 2.204 209 E HA -0.150 4.199 4.350 -0.003 0.000 0.194 209 E C 1.779 178.356 176.600 -0.039 0.000 0.989 209 E CA 1.044 57.451 56.400 0.012 0.000 0.824 209 E CB -0.002 29.735 29.700 0.060 0.000 0.756 209 E HN 0.341 nan 8.360 nan 0.000 0.477 210 M N -0.806 118.746 119.600 -0.080 0.000 2.630 210 M HA 0.041 4.519 4.480 -0.003 0.000 0.254 210 M C 1.227 177.451 176.300 -0.128 0.000 1.092 210 M CA 0.974 56.204 55.300 -0.116 0.000 1.087 210 M CB 0.476 32.941 32.600 -0.225 0.000 1.453 210 M HN 0.311 nan 8.290 nan 0.000 0.509 211 G N 1.396 110.149 108.800 -0.078 0.000 2.159 211 G HA2 -0.204 3.755 3.960 -0.003 0.000 0.227 211 G HA3 -0.204 3.755 3.960 -0.003 0.000 0.227 211 G C 0.014 174.837 174.900 -0.128 0.000 0.986 211 G CA -0.550 44.520 45.100 -0.050 0.000 0.651 211 G HN 0.445 nan 8.290 nan 0.000 0.523 212 I N 2.218 122.714 120.570 -0.123 0.000 2.405 212 I HA 0.483 4.652 4.170 -0.003 0.000 0.280 212 I C 1.215 177.436 176.117 0.173 0.000 1.027 212 I CA -0.560 60.709 61.300 -0.050 0.000 1.161 212 I CB 1.291 39.237 38.000 -0.091 0.000 1.300 212 I HN 0.156 nan 8.210 nan 0.000 0.463 213 G N 4.588 113.609 108.800 0.367 0.000 2.484 213 G HA2 -0.010 3.949 3.960 -0.003 0.000 0.235 213 G HA3 -0.010 3.949 3.960 -0.003 0.000 0.235 213 G C 1.083 176.124 174.900 0.234 0.000 1.282 213 G CA -0.281 44.980 45.100 0.268 0.000 0.857 213 G HN 0.808 nan 8.290 nan 0.000 0.571 214 E N 0.999 121.293 120.200 0.156 0.000 2.347 214 E HA -0.086 4.263 4.350 -0.003 0.000 0.196 214 E C 0.697 177.356 176.600 0.099 0.000 1.008 214 E CA 0.613 57.096 56.400 0.138 0.000 0.852 214 E CB -0.020 29.737 29.700 0.096 0.000 0.783 214 E HN 0.430 nan 8.360 nan 0.000 0.505 215 L N 2.848 124.128 121.223 0.095 0.000 2.506 215 L HA 0.287 4.625 4.340 -0.003 0.000 0.247 215 L C 0.019 176.925 176.870 0.060 0.000 1.141 215 L CA -0.438 54.443 54.840 0.069 0.000 0.973 215 L CB 0.338 42.426 42.059 0.047 0.000 1.319 215 L HN 0.056 nan 8.230 nan 0.000 0.455 216 N N -0.644 118.111 118.700 0.092 0.000 2.230 216 N HA 0.001 4.739 4.740 -0.003 0.000 0.202 216 N C 0.221 175.742 175.510 0.017 0.000 1.119 216 N CA -0.379 52.693 53.050 0.037 0.000 0.851 216 N CB 0.286 38.886 38.487 0.188 0.000 0.990 216 N HN 0.503 nan 8.380 nan 0.000 0.497 217 N N 0.047 118.781 118.700 0.057 0.000 3.229 217 N HA 0.612 5.351 4.740 -0.003 0.000 0.315 217 N C -1.512 174.026 175.510 0.047 0.000 1.520 217 N CA -0.954 52.135 53.050 0.065 0.000 0.769 217 N CB 0.803 39.365 38.487 0.126 0.000 1.766 217 N HN 0.012 nan 8.380 nan 0.000 0.618 218 A N -1.236 121.627 122.820 0.071 0.000 2.311 218 A HA 0.455 4.774 4.320 -0.003 0.000 0.334 218 A C 0.088 177.785 177.584 0.188 0.000 1.139 218 A CA -0.823 51.240 52.037 0.042 0.000 0.830 218 A CB 0.238 19.258 19.000 0.034 0.000 1.234 218 A HN 0.735 nan 8.150 nan 0.000 0.483 219 Y N -0.621 119.625 120.300 -0.089 0.000 2.421 219 Y HA -0.171 4.380 4.550 0.003 0.000 0.292 219 Y C 2.277 178.254 175.900 0.129 0.000 1.136 219 Y CA 1.246 59.268 58.100 -0.130 0.000 1.255 219 Y CB 0.300 38.350 38.460 -0.683 0.000 0.991 219 Y HN 0.948 nan 8.280 nan 0.000 0.552 220 E N 0.726 121.095 120.200 0.283 0.000 2.204 220 E HA -0.194 4.155 4.350 -0.003 0.000 0.194 220 E C 1.283 177.999 176.600 0.194 0.000 0.989 220 E CA 0.895 57.450 56.400 0.259 0.000 0.824 220 E CB 0.007 29.800 29.700 0.155 0.000 0.756 220 E HN 0.472 nan 8.360 nan 0.000 0.477 221 D N 0.157 120.669 120.400 0.186 0.000 2.218 221 D HA -0.139 4.499 4.640 -0.003 0.000 0.204 221 D C 1.711 178.077 176.300 0.110 0.000 0.976 221 D CA 1.026 55.114 54.000 0.146 0.000 0.853 221 D CB 0.081 40.968 40.800 0.146 0.000 0.939 221 D HN 0.278 nan 8.370 nan 0.000 0.481 222 A N 0.790 123.700 122.820 0.150 0.000 2.067 222 A HA -0.168 4.151 4.320 -0.003 0.000 0.219 222 A C 2.047 179.612 177.584 -0.032 0.000 1.158 222 A CA 0.958 52.983 52.037 -0.021 0.000 0.661 222 A CB -0.269 18.723 19.000 -0.012 0.000 0.801 222 A HN 0.203 nan 8.150 nan 0.000 0.452 223 Q N -0.767 119.083 119.800 0.083 0.000 2.331 223 Q HA 0.171 4.509 4.340 -0.003 0.000 0.203 223 Q C 1.317 177.304 176.000 -0.021 0.000 0.944 223 Q CA 0.624 56.450 55.803 0.037 0.000 0.892 223 Q CB -0.025 28.761 28.738 0.080 0.000 0.983 223 Q HN 0.640 nan 8.270 nan 0.000 0.482 224 L N 0.119 121.348 121.223 0.010 0.000 2.607 224 L HA 0.274 4.612 4.340 -0.003 0.000 0.228 224 L C 0.704 177.600 176.870 0.043 0.000 1.123 224 L CA -0.616 54.237 54.840 0.022 0.000 0.890 224 L CB 0.119 42.245 42.059 0.112 0.000 1.103 224 L HN -0.008 nan 8.230 nan 0.000 0.468 225 A N -0.125 122.688 122.820 -0.013 0.000 2.351 225 A HA 0.138 4.456 4.320 -0.003 0.000 0.257 225 A C 0.530 178.089 177.584 -0.042 0.000 1.087 225 A CA -0.297 51.720 52.037 -0.032 0.000 0.798 225 A CB 0.417 19.358 19.000 -0.098 0.000 1.033 225 A HN 0.112 nan 8.150 nan 0.000 0.488 226 D N -0.265 120.123 120.400 -0.020 0.000 2.262 226 D HA 0.138 4.776 4.640 -0.003 0.000 0.212 226 D C 0.007 176.257 176.300 -0.083 0.000 0.964 226 D CA 1.356 55.344 54.000 -0.021 0.000 0.875 226 D CB 0.384 41.188 40.800 0.006 0.000 0.996 226 D HN 0.228 nan 8.370 nan 0.000 0.497 227 V N 1.322 121.188 119.914 -0.080 0.000 2.841 227 V HA 0.408 4.526 4.120 -0.003 0.000 0.310 227 V C -0.488 175.524 176.094 -0.136 0.000 1.090 227 V CA -0.732 61.505 62.300 -0.104 0.000 0.930 227 V CB 2.999 34.800 31.823 -0.036 0.000 1.014 227 V HN -0.098 nan 8.190 nan 0.000 0.425 228 I N 2.611 123.036 120.570 -0.242 0.000 2.436 228 I HA 0.426 4.594 4.170 -0.003 0.000 0.289 228 I C -1.269 174.656 176.117 -0.320 0.000 1.010 228 I CA -0.291 60.801 61.300 -0.348 0.000 1.098 228 I CB 1.996 39.567 38.000 -0.716 0.000 1.266 228 I HN 0.562 nan 8.210 nan 0.000 0.434 229 W N 4.333 125.427 121.300 -0.344 0.000 2.469 229 W HA 0.476 5.134 4.660 -0.003 0.000 0.320 229 W C 0.454 176.906 176.519 -0.112 0.000 1.086 229 W CA -0.519 56.710 57.345 -0.193 0.000 1.211 229 W CB 1.668 31.072 29.460 -0.095 0.000 1.298 229 W HN 0.266 nan 8.180 nan 0.000 0.525 230 S N 4.421 120.179 115.700 0.098 0.000 2.653 230 S HA 0.559 5.028 4.470 -0.003 0.000 0.272 230 S C -0.968 173.828 174.600 0.327 0.000 1.221 230 S CA -0.503 57.822 58.200 0.208 0.000 1.149 230 S CB -0.510 62.698 63.200 0.012 0.000 1.029 230 S HN 0.344 nan 8.310 nan 0.000 0.481 231 I N 3.745 124.572 120.570 0.429 0.000 2.312 231 I HA 0.439 4.608 4.170 -0.003 0.000 0.290 231 I C 1.167 177.522 176.117 0.396 0.000 1.008 231 I CA -0.345 61.237 61.300 0.471 0.000 1.226 231 I CB 1.228 39.564 38.000 0.561 0.000 1.371 231 I HN 0.839 nan 8.210 nan 0.000 0.468 232 G N 4.558 113.572 108.800 0.357 0.000 2.366 232 G HA2 -0.315 3.643 3.960 -0.003 0.000 0.299 232 G HA3 -0.315 3.643 3.960 -0.003 0.000 0.299 232 G C -0.248 174.800 174.900 0.246 0.000 1.020 232 G CA 0.230 45.510 45.100 0.301 0.000 1.026 232 G HN 0.835 nan 8.290 nan 0.000 0.512 233 N N -0.522 118.327 118.700 0.248 0.000 2.277 233 N HA 0.383 5.121 4.740 -0.003 0.000 0.286 233 N C -0.933 174.672 175.510 0.158 0.000 1.140 233 N CA -0.724 52.437 53.050 0.185 0.000 0.799 233 N CB 1.202 39.819 38.487 0.218 0.000 1.596 233 N HN 0.168 nan 8.380 nan 0.000 0.473 234 N N 3.469 122.197 118.700 0.047 0.000 2.723 234 N HA 0.228 4.966 4.740 -0.003 0.000 0.290 234 N C -1.928 173.491 175.510 -0.151 0.000 1.882 234 N CA -2.000 51.026 53.050 -0.039 0.000 0.851 234 N CB 0.883 39.333 38.487 -0.062 0.000 1.234 234 N HN 0.431 nan 8.380 nan 0.000 0.491 235 P HA -0.246 nan 4.420 nan 0.000 0.217 235 P C 1.074 178.034 177.300 -0.567 0.000 1.148 235 P CA 1.123 63.956 63.100 -0.444 0.000 0.834 235 P CB -0.001 31.275 31.700 -0.707 0.000 0.783 236 Y N 1.481 121.240 120.300 -0.902 0.000 2.242 236 Y HA -0.128 4.420 4.550 -0.003 0.000 0.291 236 Y C 2.249 177.981 175.900 -0.280 0.000 1.137 236 Y CA 1.682 59.363 58.100 -0.697 0.000 1.181 236 Y CB -0.295 37.768 38.460 -0.661 0.000 0.989 236 Y HN -0.042 nan 8.280 nan 0.000 0.527 237 E N -0.929 119.084 120.200 -0.312 0.000 2.276 237 E HA -0.058 4.290 4.350 -0.003 0.000 0.193 237 E C 2.048 178.553 176.600 -0.158 0.000 0.983 237 E CA 0.984 57.233 56.400 -0.252 0.000 0.861 237 E CB 0.088 29.736 29.700 -0.086 0.000 0.817 237 E HN 0.526 nan 8.360 nan 0.000 0.485 238 S N -0.135 115.487 115.700 -0.131 0.000 2.497 238 S HA 0.063 4.531 4.470 -0.003 0.000 0.218 238 S C 1.249 175.832 174.600 -0.029 0.000 1.023 238 S CA -0.095 58.078 58.200 -0.046 0.000 0.913 238 S CB 0.330 63.513 63.200 -0.029 0.000 0.800 238 S HN -0.038 nan 8.310 nan 0.000 0.505 239 Q N 1.263 121.006 119.800 -0.096 0.000 2.227 239 Q HA 0.414 4.753 4.340 -0.003 0.000 0.332 239 Q C 0.678 176.631 176.000 -0.079 0.000 0.878 239 Q CA -0.033 55.741 55.803 -0.047 0.000 1.120 239 Q CB 0.376 29.097 28.738 -0.028 0.000 1.315 239 Q HN 0.314 nan 8.270 nan 0.000 0.414 240 T N 0.422 114.900 114.554 -0.127 0.000 2.442 240 T HA -0.280 4.069 4.350 -0.003 0.000 0.237 240 T C 1.371 176.070 174.700 -0.001 0.000 1.361 240 T CA 2.199 64.211 62.100 -0.146 0.000 1.127 240 T CB -0.239 68.499 68.868 -0.216 0.000 0.845 240 T HN 0.423 nan 8.240 nan 0.000 0.433 241 N N 0.210 118.929 118.700 0.032 0.000 2.573 241 N HA -0.032 4.707 4.740 -0.003 0.000 0.187 241 N C 1.318 176.931 175.510 0.171 0.000 1.107 241 N CA 0.431 53.535 53.050 0.089 0.000 0.918 241 N CB -0.320 38.220 38.487 0.088 0.000 0.966 241 N HN 0.519 nan 8.380 nan 0.000 0.448 242 Y N 0.067 120.316 120.300 -0.086 0.000 2.314 242 Y HA 0.047 4.597 4.550 -0.001 0.000 0.294 242 Y C 1.925 177.700 175.900 -0.208 0.000 1.119 242 Y CA 0.260 58.227 58.100 -0.222 0.000 1.179 242 Y CB -0.737 37.389 38.460 -0.557 0.000 1.025 242 Y HN -0.043 nan 8.280 nan 0.000 0.541 243 F N 0.377 120.023 119.950 -0.508 0.000 2.084 243 F HA -0.170 4.355 4.527 -0.003 0.000 0.296 243 F C 1.951 177.666 175.800 -0.143 0.000 1.111 243 F CA 1.822 59.428 58.000 -0.656 0.000 1.224 243 F CB -0.580 38.122 39.000 -0.496 0.000 0.991 243 F HN 0.001 nan 8.300 nan 0.000 0.471 244 L N -0.113 121.120 121.223 0.017 0.000 2.056 244 L HA -0.190 4.148 4.340 -0.003 0.000 0.207 244 L C 1.938 178.779 176.870 -0.048 0.000 1.078 244 L CA 1.728 56.554 54.840 -0.023 0.000 0.749 244 L CB -0.786 41.321 42.059 0.079 0.000 0.901 244 L HN 0.186 nan 8.230 nan 0.000 0.433 245 N N -1.827 116.881 118.700 0.013 0.000 2.422 245 N HA -0.075 4.663 4.740 -0.003 0.000 0.181 245 N C 1.551 176.904 175.510 -0.262 0.000 1.080 245 N CA 0.675 53.670 53.050 -0.093 0.000 0.893 245 N CB 0.302 38.753 38.487 -0.060 0.000 0.973 245 N HN 0.364 nan 8.380 nan 0.000 0.456 246 H N -3.235 115.883 119.070 0.080 0.000 2.573 246 H HA 0.078 4.632 4.556 -0.003 0.000 0.236 246 H C 0.749 176.150 175.328 0.122 0.000 0.907 246 H CA 0.024 56.161 56.048 0.148 0.000 1.058 246 H CB 0.003 29.968 29.762 0.339 0.000 1.417 246 H HN 0.162 nan 8.280 nan 0.000 0.425 247 W N 2.235 123.421 121.300 -0.191 0.000 2.413 247 W HA 0.019 4.676 4.660 -0.005 0.000 0.315 247 W C 2.420 178.749 176.519 -0.317 0.000 1.186 247 W CA 0.495 57.660 57.345 -0.300 0.000 1.326 247 W CB -0.975 28.229 29.460 -0.428 0.000 1.153 247 W HN 0.010 nan 8.180 nan 0.000 0.489 248 L N -0.102 121.009 121.223 -0.186 0.000 2.042 248 L HA -0.187 4.151 4.340 -0.003 0.000 0.210 248 L C -0.303 176.499 176.870 -0.112 0.000 1.076 248 L CA 1.469 56.184 54.840 -0.208 0.000 0.749 248 L CB -2.338 39.560 42.059 -0.268 0.000 0.893 248 L HN -0.085 nan 8.230 nan 0.000 0.432 249 P HA -0.148 nan 4.420 nan 0.000 0.221 249 P C 1.079 178.337 177.300 -0.070 0.000 1.145 249 P CA 1.252 64.306 63.100 -0.077 0.000 0.795 249 P CB -0.013 31.637 31.700 -0.082 0.000 0.775 250 N N -0.616 118.044 118.700 -0.067 0.000 2.173 250 N HA -0.049 4.690 4.740 -0.003 0.000 0.184 250 N C 1.555 177.014 175.510 -0.085 0.000 1.025 250 N CA 1.009 54.012 53.050 -0.078 0.000 0.852 250 N CB -0.880 37.552 38.487 -0.092 0.000 0.998 250 N HN 0.039 nan 8.380 nan 0.000 0.427 251 L N 0.315 121.486 121.223 -0.086 0.000 2.191 251 L HA -0.085 4.253 4.340 -0.003 0.000 0.212 251 L C 1.583 178.411 176.870 -0.069 0.000 1.103 251 L CA 0.922 55.715 54.840 -0.078 0.000 0.769 251 L CB -0.273 41.748 42.059 -0.062 0.000 0.908 251 L HN 0.276 nan 8.230 nan 0.000 0.438 252 Q N -0.398 119.361 119.800 -0.068 0.000 2.403 252 Q HA 0.111 4.450 4.340 -0.003 0.000 0.203 252 Q C 1.442 177.408 176.000 -0.058 0.000 0.932 252 Q CA 0.500 56.267 55.803 -0.060 0.000 0.945 252 Q CB 0.455 29.158 28.738 -0.058 0.000 1.045 252 Q HN 0.541 nan 8.270 nan 0.000 0.511 253 G N 0.709 109.472 108.800 -0.062 0.000 2.168 253 G HA2 -0.385 3.573 3.960 -0.003 0.000 0.263 253 G HA3 -0.385 3.573 3.960 -0.003 0.000 0.263 253 G C 0.826 175.691 174.900 -0.058 0.000 0.977 253 G CA 0.319 45.385 45.100 -0.058 0.000 0.659 253 G HN 0.492 nan 8.290 nan 0.000 0.533 254 A N -0.151 122.632 122.820 -0.062 0.000 2.209 254 A HA 0.386 4.704 4.320 -0.003 0.000 0.212 254 A C 2.264 179.806 177.584 -0.069 0.000 1.158 254 A CA 2.421 54.421 52.037 -0.061 0.000 0.742 254 A CB -0.391 18.572 19.000 -0.062 0.000 0.790 254 A HN 1.482 nan 8.150 nan 0.000 0.472 255 T N -5.723 108.783 114.554 -0.079 0.000 3.044 255 T HA 0.056 4.405 4.350 -0.003 0.000 0.260 255 T C 1.406 176.028 174.700 -0.130 0.000 1.019 255 T CA 0.864 62.906 62.100 -0.096 0.000 0.921 255 T CB -0.274 68.540 68.868 -0.090 0.000 1.053 255 T HN 0.158 nan 8.240 nan 0.000 0.533 256 T N 3.122 117.609 114.554 -0.111 0.000 2.737 256 T HA -0.196 4.153 4.350 -0.003 0.000 0.269 256 T C 2.339 176.962 174.700 -0.127 0.000 1.040 256 T CA 2.024 64.053 62.100 -0.118 0.000 1.142 256 T CB -0.607 68.233 68.868 -0.047 0.000 0.861 256 T HN 0.762 nan 8.240 nan 0.000 0.456 257 S N 1.739 117.379 115.700 -0.099 0.000 2.382 257 S HA -0.101 4.368 4.470 -0.003 0.000 0.228 257 S C 1.903 176.422 174.600 -0.134 0.000 1.027 257 S CA 0.854 59.001 58.200 -0.089 0.000 0.991 257 S CB -0.318 62.841 63.200 -0.069 0.000 0.823 257 S HN 0.529 nan 8.310 nan 0.000 0.469 258 K N 1.428 121.727 120.400 -0.168 0.000 2.103 258 K HA 0.041 4.359 4.320 -0.003 0.000 0.204 258 K C 2.339 178.727 176.600 -0.354 0.000 1.052 258 K CA 1.180 57.338 56.287 -0.215 0.000 0.945 258 K CB -0.121 32.273 32.500 -0.178 0.000 0.722 258 K HN 0.416 nan 8.250 nan 0.000 0.443 259 K N 1.305 121.442 120.400 -0.438 0.000 2.001 259 K HA -0.118 4.201 4.320 -0.003 0.000 0.208 259 K C 2.033 178.295 176.600 -0.564 0.000 1.048 259 K CA 1.351 57.179 56.287 -0.764 0.000 0.932 259 K CB -0.077 31.684 32.500 -1.230 0.000 0.715 259 K HN 0.054 nan 8.250 nan 0.000 0.437 260 K N 1.076 121.332 120.400 -0.240 0.000 2.103 260 K HA -0.219 4.100 4.320 -0.003 0.000 0.207 260 K C 2.250 178.863 176.600 0.023 0.000 1.048 260 K CA 1.513 57.871 56.287 0.117 0.000 0.930 260 K CB -0.048 32.515 32.500 0.104 0.000 0.716 260 K HN 0.270 nan 8.250 nan 0.000 0.444 261 E N 1.066 121.206 120.200 -0.100 0.000 2.072 261 E HA -0.195 4.153 4.350 -0.003 0.000 0.191 261 E C 2.226 178.732 176.600 -0.156 0.000 0.985 261 E CA 0.864 57.202 56.400 -0.103 0.000 0.801 261 E CB 0.120 29.749 29.700 -0.118 0.000 0.750 261 E HN 0.159 nan 8.360 nan 0.000 0.452 262 R N -0.677 119.617 120.500 -0.344 0.000 2.073 262 R HA -0.037 4.302 4.340 -0.003 0.000 0.229 262 R C -0.145 175.918 176.300 -0.396 0.000 1.120 262 R CA 0.742 56.530 56.100 -0.520 0.000 0.967 262 R CB 0.084 29.804 30.300 -0.967 0.000 0.862 262 R HN 0.011 nan 8.270 nan 0.000 0.436 263 F N 1.164 121.174 119.950 0.101 0.000 2.311 263 F HA 0.425 4.949 4.527 -0.004 0.000 0.371 263 F C -1.794 174.120 175.800 0.190 0.000 1.083 263 F CA -3.476 54.636 58.000 0.187 0.000 1.113 263 F CB 1.137 40.361 39.000 0.373 0.000 1.349 263 F HN -0.082 nan 8.300 nan 0.000 0.470 264 P HA -0.183 nan 4.420 nan 0.000 0.216 264 P C -0.038 177.329 177.300 0.112 0.000 0.997 264 P CA 1.029 64.213 63.100 0.140 0.000 0.967 264 P CB 0.215 31.972 31.700 0.095 0.000 0.588 265 N N 1.861 120.596 118.700 0.057 0.000 2.410 265 N HA 0.021 4.759 4.740 -0.003 0.000 0.281 265 N C -0.003 175.476 175.510 -0.051 0.000 1.241 265 N CA 0.863 53.914 53.050 0.000 0.000 0.998 265 N CB -0.647 37.837 38.487 -0.006 0.000 1.376 265 N HN 0.388 nan 8.380 nan 0.000 0.490 266 E N 1.826 121.943 120.200 -0.138 0.000 2.478 266 E HA 0.028 4.377 4.350 -0.003 0.000 0.293 266 E C -1.463 174.698 176.600 -0.732 0.000 1.011 266 E CA -0.770 55.410 56.400 -0.366 0.000 0.834 266 E CB 1.066 30.577 29.700 -0.315 0.000 1.226 266 E HN 0.509 nan 8.360 nan 0.000 0.419 267 N N 3.057 121.356 118.700 -0.668 0.000 2.508 267 N HA 0.342 5.080 4.740 -0.003 0.000 0.285 267 N C -1.074 173.924 175.510 -0.853 0.000 1.144 267 N CA -0.215 52.467 53.050 -0.613 0.000 0.978 267 N CB 0.735 39.052 38.487 -0.284 0.000 1.180 267 N HN 0.214 nan 8.380 nan 0.000 0.484 268 F N 0.765 120.703 119.950 -0.020 0.000 2.513 268 F HA 0.409 4.935 4.527 -0.002 0.000 0.358 268 F C -1.727 174.038 175.800 -0.058 0.000 1.118 268 F CA -1.587 56.396 58.000 -0.029 0.000 1.037 268 F CB 1.109 40.112 39.000 0.004 0.000 1.276 268 F HN 0.329 nan 8.300 nan 0.000 0.446 269 P HA 0.109 nan 4.420 nan 0.000 0.274 269 P C -0.713 176.562 177.300 -0.042 0.000 1.260 269 P CA -0.507 62.570 63.100 -0.038 0.000 0.793 269 P CB 0.846 32.483 31.700 -0.104 0.000 1.048 270 Q N -0.418 119.326 119.800 -0.094 0.000 2.330 270 Q HA 0.305 4.643 4.340 -0.003 0.000 0.279 270 Q C 0.211 176.121 176.000 -0.150 0.000 1.024 270 Q CA -0.212 55.526 55.803 -0.108 0.000 0.900 270 Q CB 0.355 29.017 28.738 -0.128 0.000 1.221 270 Q HN 0.516 nan 8.270 nan 0.000 0.396 271 A N 4.107 126.853 122.820 -0.123 0.000 2.520 271 A HA 0.134 4.453 4.320 -0.003 0.000 0.245 271 A C -0.073 177.397 177.584 -0.190 0.000 1.072 271 A CA 0.369 52.321 52.037 -0.142 0.000 0.761 271 A CB 0.294 19.223 19.000 -0.119 0.000 1.004 271 A HN 0.708 nan 8.150 nan 0.000 0.499 272 R N 0.704 121.069 120.500 -0.226 0.000 2.892 272 R HA 0.778 5.117 4.340 -0.003 0.000 0.265 272 R C -1.032 175.190 176.300 -0.130 0.000 1.025 272 R CA -0.679 55.272 56.100 -0.248 0.000 0.982 272 R CB 2.135 32.092 30.300 -0.572 0.000 1.185 272 R HN 0.756 nan 8.270 nan 0.000 0.484 273 I N 1.776 122.333 120.570 -0.022 0.000 2.686 273 I HA 0.479 4.648 4.170 -0.003 0.000 0.295 273 I C -1.464 174.608 176.117 -0.075 0.000 1.114 273 I CA -0.837 60.400 61.300 -0.106 0.000 1.038 273 I CB 1.782 39.748 38.000 -0.057 0.000 1.238 273 I HN 0.517 nan 8.210 nan 0.000 0.420 274 I N 6.799 127.127 120.570 -0.403 0.000 2.465 274 I HA 0.388 4.556 4.170 -0.003 0.000 0.291 274 I C -1.359 174.522 176.117 -0.394 0.000 1.014 274 I CA -0.467 60.557 61.300 -0.460 0.000 1.093 274 I CB 1.812 39.119 38.000 -1.155 0.000 1.267 274 I HN 0.345 nan 8.210 nan 0.000 0.431 275 F N 5.248 125.177 119.950 -0.036 0.000 2.444 275 F HA 0.444 4.970 4.527 -0.002 0.000 0.342 275 F C 0.003 175.914 175.800 0.185 0.000 1.121 275 F CA -0.867 57.192 58.000 0.099 0.000 0.997 275 F CB 1.811 40.826 39.000 0.024 0.000 1.130 275 F HN -0.009 nan 8.300 nan 0.000 0.454 276 V N 3.458 123.617 119.914 0.409 0.000 2.277 276 V HA 0.374 4.493 4.120 -0.003 0.000 0.269 276 V C -0.852 175.459 176.094 0.361 0.000 1.036 276 V CA -0.195 62.324 62.300 0.365 0.000 0.821 276 V CB 0.714 32.785 31.823 0.414 0.000 1.052 276 V HN 0.681 nan 8.190 nan 0.000 0.462 277 D N 5.678 126.299 120.400 0.368 0.000 2.871 277 D HA 0.326 4.964 4.640 -0.003 0.000 0.209 277 D C -2.418 174.108 176.300 0.376 0.000 1.292 277 D CA -1.342 52.866 54.000 0.346 0.000 0.869 277 D CB 3.366 44.339 40.800 0.287 0.000 1.663 277 D HN 0.062 nan 8.370 nan 0.000 0.557 278 P HA -0.037 nan 4.420 nan 0.000 0.220 278 P C 0.092 177.585 177.300 0.322 0.000 1.148 278 P CA 0.767 64.015 63.100 0.247 0.000 0.803 278 P CB 0.328 32.132 31.700 0.174 0.000 0.782 279 R N 0.636 121.349 120.500 0.355 0.000 2.540 279 R HA 0.243 4.582 4.340 -0.003 0.000 0.287 279 R C -0.222 176.188 176.300 0.183 0.000 0.980 279 R CA -0.647 55.603 56.100 0.249 0.000 0.966 279 R CB 0.817 31.202 30.300 0.142 0.000 1.106 279 R HN -0.101 nan 8.270 nan 0.000 0.480 280 E N 2.802 123.093 120.200 0.153 0.000 2.152 280 E HA 0.106 4.454 4.350 -0.003 0.000 0.285 280 E C -0.891 175.609 176.600 -0.166 0.000 1.043 280 E CA -0.445 55.954 56.400 -0.000 0.000 0.839 280 E CB 0.876 30.638 29.700 0.102 0.000 1.069 280 E HN 0.678 nan 8.360 nan 0.000 0.399 281 T N 1.324 115.697 114.554 -0.303 0.000 2.948 281 T HA 0.366 4.714 4.350 -0.003 0.000 0.285 281 T C -2.007 172.528 174.700 -0.275 0.000 1.019 281 T CA -2.030 59.900 62.100 -0.284 0.000 1.013 281 T CB 1.471 70.172 68.868 -0.278 0.000 1.117 281 T HN 0.178 nan 8.240 nan 0.000 0.533 282 P HA -0.046 nan 4.420 nan 0.000 0.219 282 P C 1.611 178.758 177.300 -0.254 0.000 1.146 282 P CA 0.931 63.924 63.100 -0.178 0.000 0.808 282 P CB -0.070 31.587 31.700 -0.071 0.000 0.779 283 S N -1.160 114.367 115.700 -0.289 0.000 2.402 283 S HA -0.086 4.383 4.470 -0.003 0.000 0.229 283 S C 1.901 176.225 174.600 -0.460 0.000 1.021 283 S CA 0.981 58.963 58.200 -0.364 0.000 0.974 283 S CB -0.922 62.096 63.200 -0.303 0.000 0.800 283 S HN 0.001 nan 8.310 nan 0.000 0.484 284 V N 1.726 121.205 119.914 -0.725 0.000 2.323 284 V HA -0.090 4.028 4.120 -0.003 0.000 0.244 284 V C 2.628 178.526 176.094 -0.327 0.000 1.041 284 V CA 1.522 63.297 62.300 -0.875 0.000 1.025 284 V CB -1.152 30.147 31.823 -0.873 0.000 0.656 284 V HN 0.510 nan 8.190 nan 0.000 0.451 285 A N 0.198 122.888 122.820 -0.217 0.000 1.865 285 A HA -0.195 4.123 4.320 -0.003 0.000 0.217 285 A C 2.179 179.774 177.584 0.019 0.000 1.191 285 A CA 2.032 54.026 52.037 -0.071 0.000 0.623 285 A CB -0.619 18.343 19.000 -0.062 0.000 0.826 285 A HN 0.484 nan 8.150 nan 0.000 0.444 286 I N -0.275 120.283 120.570 -0.019 0.000 2.286 286 I HA -0.293 3.876 4.170 -0.003 0.000 0.248 286 I C 2.897 179.128 176.117 0.191 0.000 1.115 286 I CA 1.010 62.340 61.300 0.050 0.000 1.392 286 I CB -0.311 37.623 38.000 -0.109 0.000 1.065 286 I HN 0.387 nan 8.210 nan 0.000 0.418 287 A N 0.733 123.696 122.820 0.239 0.000 1.930 287 A HA -0.167 4.151 4.320 -0.003 0.000 0.217 287 A C 2.385 180.084 177.584 0.192 0.000 1.175 287 A CA 1.227 53.444 52.037 0.300 0.000 0.627 287 A CB -0.437 18.860 19.000 0.495 0.000 0.815 287 A HN 0.295 nan 8.150 nan 0.000 0.443 288 R N -1.672 118.916 120.500 0.148 0.000 2.066 288 R HA -0.142 4.197 4.340 -0.003 0.000 0.232 288 R C 2.247 178.620 176.300 0.122 0.000 1.131 288 R CA 1.637 57.808 56.100 0.119 0.000 0.955 288 R CB -0.533 29.820 30.300 0.089 0.000 0.851 288 R HN 0.800 nan 8.270 nan 0.000 0.432 289 H N 0.139 119.251 119.070 0.071 0.000 2.387 289 H HA -0.092 4.462 4.556 -0.003 0.000 0.299 289 H C 1.676 177.039 175.328 0.059 0.000 1.099 289 H CA 1.821 57.919 56.048 0.083 0.000 1.315 289 H CB 0.157 30.013 29.762 0.157 0.000 1.380 289 H HN -0.045 nan 8.280 nan 0.000 0.513 290 V N -0.412 119.570 119.914 0.114 0.000 2.446 290 V HA 0.031 4.149 4.120 -0.003 0.000 0.244 290 V C 2.234 178.317 176.094 -0.018 0.000 1.039 290 V CA 1.411 63.729 62.300 0.029 0.000 1.045 290 V CB -0.298 31.556 31.823 0.051 0.000 0.681 290 V HN 0.627 nan 8.190 nan 0.000 0.459 291 A N -0.997 121.830 122.820 0.012 0.000 2.390 291 A HA 0.589 4.907 4.320 -0.003 0.000 0.232 291 A C 1.135 178.711 177.584 -0.014 0.000 1.233 291 A CA 0.609 52.639 52.037 -0.012 0.000 0.907 291 A CB -0.141 18.858 19.000 -0.001 0.000 0.967 291 A HN 1.142 nan 8.150 nan 0.000 0.512 292 G N 0.020 108.818 108.800 -0.003 0.000 2.722 292 G HA2 -0.190 3.769 3.960 -0.003 0.000 0.686 292 G HA3 -0.190 3.769 3.960 -0.003 0.000 0.686 292 G C 0.080 175.004 174.900 0.039 0.000 1.282 292 G CA -0.174 44.926 45.100 0.001 0.000 0.817 292 G HN 0.214 nan 8.290 nan 0.000 0.605 293 N N 0.556 119.286 118.700 0.049 0.000 2.205 293 N HA -0.072 4.666 4.740 -0.003 0.000 0.186 293 N C 1.541 177.117 175.510 0.110 0.000 1.015 293 N CA 1.687 54.784 53.050 0.079 0.000 0.862 293 N CB -0.111 38.414 38.487 0.063 0.000 0.986 293 N HN 0.619 nan 8.380 nan 0.000 0.429 294 D N -0.122 120.328 120.400 0.084 0.000 2.347 294 D HA 0.008 4.647 4.640 -0.003 0.000 0.215 294 D C 1.050 177.420 176.300 0.116 0.000 0.976 294 D CA 0.509 54.578 54.000 0.115 0.000 0.884 294 D CB 0.082 40.917 40.800 0.059 0.000 0.915 294 D HN 0.280 nan 8.370 nan 0.000 0.526 295 R N -0.315 120.210 120.500 0.043 0.000 2.432 295 R HA 0.240 4.579 4.340 -0.003 0.000 0.260 295 R C -0.410 175.949 176.300 0.097 0.000 0.935 295 R CA -0.053 55.978 56.100 -0.115 0.000 1.080 295 R CB 1.340 31.544 30.300 -0.159 0.000 1.155 295 R HN -0.081 nan 8.270 nan 0.000 0.531 296 V N 1.334 121.427 119.914 0.298 0.000 2.680 296 V HA 0.381 4.499 4.120 -0.003 0.000 0.309 296 V C -1.067 175.244 176.094 0.361 0.000 1.052 296 V CA -0.954 61.554 62.300 0.346 0.000 0.908 296 V CB 2.330 34.308 31.823 0.258 0.000 1.001 296 V HN -0.037 nan 8.190 nan 0.000 0.431 297 L N 3.933 125.321 121.223 0.274 0.000 2.415 297 L HA 0.447 4.786 4.340 -0.003 0.000 0.268 297 L C -0.437 176.525 176.870 0.153 0.000 0.984 297 L CA -0.117 54.747 54.840 0.040 0.000 0.853 297 L CB 1.157 42.991 42.059 -0.374 0.000 1.215 297 L HN 0.782 nan 8.230 nan 0.000 0.419 298 H N 5.869 124.968 119.070 0.049 0.000 2.724 298 H HA 0.377 4.931 4.556 -0.002 0.000 0.278 298 H C -0.856 174.485 175.328 0.022 0.000 1.159 298 H CA -0.824 55.270 56.048 0.077 0.000 1.254 298 H CB 0.649 30.426 29.762 0.025 0.000 1.412 298 H HN 0.503 nan 8.280 nan 0.000 0.488 299 L N 5.360 126.668 121.223 0.141 0.000 2.385 299 L HA 0.191 4.529 4.340 -0.003 0.000 0.285 299 L C 0.778 177.625 176.870 -0.040 0.000 1.125 299 L CA -0.449 54.382 54.840 -0.016 0.000 0.890 299 L CB 0.546 42.614 42.059 0.015 0.000 1.251 299 L HN 0.656 nan 8.230 nan 0.000 0.445 300 A N 5.980 128.626 122.820 -0.291 0.000 3.063 300 A HA 0.316 4.635 4.320 -0.003 0.000 0.263 300 A C 0.735 178.267 177.584 -0.087 0.000 1.736 300 A CA -0.567 51.321 52.037 -0.249 0.000 1.408 300 A CB -0.893 17.857 19.000 -0.417 0.000 1.108 300 A HN 0.766 nan 8.150 nan 0.000 0.621 301 I N -2.267 118.284 120.570 -0.032 0.000 3.045 301 I HA 0.219 4.387 4.170 -0.003 0.000 0.288 301 I C 0.509 176.591 176.117 -0.059 0.000 1.238 301 I CA -0.537 60.731 61.300 -0.052 0.000 1.396 301 I CB 0.429 38.399 38.000 -0.050 0.000 1.355 301 I HN 0.378 nan 8.210 nan 0.000 0.601 302 E N 4.873 125.026 120.200 -0.078 0.000 2.392 302 E HA 0.275 4.623 4.350 -0.003 0.000 0.264 302 E C -2.402 174.123 176.600 -0.125 0.000 1.024 302 E CA -1.817 54.529 56.400 -0.091 0.000 0.903 302 E CB 0.393 30.064 29.700 -0.048 0.000 0.963 302 E HN 0.406 nan 8.360 nan 0.000 0.432 303 P HA 0.082 nan 4.420 nan 0.000 0.263 303 P C 0.060 177.381 177.300 0.035 0.000 1.195 303 P CA 1.324 64.183 63.100 -0.402 0.000 0.762 303 P CB 0.593 31.486 31.700 -1.345 0.000 0.799 304 G N 2.583 111.494 108.800 0.184 0.000 2.143 304 G HA2 -0.256 3.703 3.960 -0.003 0.000 0.249 304 G HA3 -0.256 3.703 3.960 -0.003 0.000 0.249 304 G C 0.637 175.700 174.900 0.272 0.000 0.981 304 G CA 0.464 45.738 45.100 0.290 0.000 0.665 304 G HN 0.614 nan 8.290 nan 0.000 0.528 305 T N -2.513 112.108 114.554 0.111 0.000 3.186 305 T HA 0.360 4.709 4.350 -0.003 0.000 0.257 305 T C 1.273 175.851 174.700 -0.202 0.000 1.029 305 T CA 0.889 62.921 62.100 -0.113 0.000 0.916 305 T CB 0.230 68.967 68.868 -0.219 0.000 1.041 305 T HN 0.149 nan 8.240 nan 0.000 0.562 306 D N 2.029 122.412 120.400 -0.029 0.000 2.133 306 D HA -0.110 4.529 4.640 -0.003 0.000 0.195 306 D C 2.039 178.315 176.300 -0.040 0.000 0.997 306 D CA 1.672 55.639 54.000 -0.055 0.000 0.840 306 D CB -0.362 40.551 40.800 0.188 0.000 0.947 306 D HN 0.346 nan 8.370 nan 0.000 0.452 307 T N -0.020 114.594 114.554 0.100 0.000 2.708 307 T HA -0.165 4.184 4.350 -0.003 0.000 0.266 307 T C 2.068 176.748 174.700 -0.033 0.000 1.037 307 T CA 1.400 63.601 62.100 0.169 0.000 1.146 307 T CB -0.470 68.599 68.868 0.336 0.000 0.865 307 T HN 0.224 nan 8.240 nan 0.000 0.435 308 A N 1.319 123.904 122.820 -0.392 0.000 1.908 308 A HA -0.069 4.249 4.320 -0.003 0.000 0.218 308 A C 2.239 179.622 177.584 -0.336 0.000 1.181 308 A CA 1.516 53.202 52.037 -0.584 0.000 0.627 308 A CB -0.893 17.383 19.000 -1.207 0.000 0.818 308 A HN 0.413 nan 8.150 nan 0.000 0.445 309 L N -1.202 119.798 121.223 -0.371 0.000 1.970 309 L HA -0.137 4.201 4.340 -0.003 0.000 0.212 309 L C 2.172 178.875 176.870 -0.278 0.000 1.071 309 L CA 2.228 56.841 54.840 -0.378 0.000 0.751 309 L CB -0.871 40.836 42.059 -0.587 0.000 0.889 309 L HN 0.348 nan 8.230 nan 0.000 0.432 310 F N -0.102 119.853 119.950 0.007 0.000 2.293 310 F HA -0.093 4.434 4.527 -0.001 0.000 0.300 310 F C 2.291 178.132 175.800 0.068 0.000 1.086 310 F CA 0.833 58.846 58.000 0.023 0.000 1.375 310 F CB -1.048 37.932 39.000 -0.034 0.000 1.045 310 F HN 0.247 nan 8.300 nan 0.000 0.516 311 N N 0.175 118.987 118.700 0.187 0.000 2.270 311 N HA -0.052 4.686 4.740 -0.003 0.000 0.181 311 N C 2.288 177.910 175.510 0.186 0.000 1.016 311 N CA 1.139 54.311 53.050 0.202 0.000 0.870 311 N CB -0.836 37.729 38.487 0.130 0.000 0.979 311 N HN 0.338 nan 8.380 nan 0.000 0.431 312 G N 1.185 110.036 108.800 0.085 0.000 2.404 312 G HA2 -0.126 3.833 3.960 -0.003 0.000 0.215 312 G HA3 -0.126 3.833 3.960 -0.003 0.000 0.215 312 G C 1.654 176.636 174.900 0.138 0.000 1.174 312 G CA 0.289 45.426 45.100 0.062 0.000 0.780 312 G HN 0.202 nan 8.290 nan 0.000 0.537 313 L N -0.641 120.691 121.223 0.181 0.000 2.046 313 L HA 0.025 4.363 4.340 -0.003 0.000 0.208 313 L C 2.565 179.608 176.870 0.289 0.000 1.077 313 L CA 1.071 56.075 54.840 0.275 0.000 0.747 313 L CB -0.439 41.824 42.059 0.340 0.000 0.896 313 L HN 0.290 nan 8.230 nan 0.000 0.432 314 F N 0.635 120.656 119.950 0.118 0.000 2.126 314 F HA -0.268 4.257 4.527 -0.003 0.000 0.299 314 F C 2.430 178.271 175.800 0.069 0.000 1.096 314 F CA 1.981 60.024 58.000 0.073 0.000 1.255 314 F CB -0.168 38.877 39.000 0.075 0.000 0.997 314 F HN -0.057 nan 8.300 nan 0.000 0.479 315 T N -0.496 114.047 114.554 -0.018 0.000 2.777 315 T HA -0.243 4.106 4.350 -0.003 0.000 0.266 315 T C 1.501 176.133 174.700 -0.112 0.000 1.040 315 T CA 1.664 63.674 62.100 -0.151 0.000 1.141 315 T CB -0.711 68.152 68.868 -0.008 0.000 0.868 315 T HN 0.527 nan 8.240 nan 0.000 0.444 316 Y N 2.252 122.484 120.300 -0.112 0.000 2.145 316 Y HA -0.183 4.365 4.550 -0.003 0.000 0.286 316 Y C 2.455 178.233 175.900 -0.204 0.000 1.145 316 Y CA 1.350 59.372 58.100 -0.131 0.000 1.148 316 Y CB -0.313 38.120 38.460 -0.046 0.000 0.981 316 Y HN 0.097 nan 8.280 nan 0.000 0.507 317 V N -2.760 117.103 119.914 -0.085 0.000 2.626 317 V HA -0.177 3.941 4.120 -0.003 0.000 0.252 317 V C 1.931 177.883 176.094 -0.237 0.000 1.067 317 V CA 1.613 63.833 62.300 -0.133 0.000 1.081 317 V CB -1.311 30.579 31.823 0.111 0.000 0.686 317 V HN 0.279 nan 8.190 nan 0.000 0.468 318 V N 0.723 120.469 119.914 -0.281 0.000 2.379 318 V HA -0.182 3.936 4.120 -0.003 0.000 0.245 318 V C 2.752 178.694 176.094 -0.253 0.000 1.044 318 V CA 2.341 64.497 62.300 -0.239 0.000 1.036 318 V CB -0.711 30.894 31.823 -0.363 0.000 0.664 318 V HN 0.582 nan 8.190 nan 0.000 0.453 319 E N -0.349 119.652 120.200 -0.331 0.000 2.110 319 E HA -0.214 4.135 4.350 -0.003 0.000 0.193 319 E C 2.254 178.591 176.600 -0.438 0.000 0.988 319 E CA 0.965 57.166 56.400 -0.331 0.000 0.804 319 E CB -0.078 29.432 29.700 -0.316 0.000 0.745 319 E HN 0.529 nan 8.360 nan 0.000 0.458 320 Q N -0.851 118.525 119.800 -0.706 0.000 2.432 320 Q HA 0.010 4.348 4.340 -0.003 0.000 0.205 320 Q C 1.373 177.028 176.000 -0.574 0.000 0.945 320 Q CA 0.935 56.162 55.803 -0.960 0.000 0.924 320 Q CB 0.843 28.317 28.738 -2.106 0.000 1.016 320 Q HN 0.442 nan 8.270 nan 0.000 0.503 321 G N 0.093 108.711 108.800 -0.304 0.000 2.148 321 G HA2 -0.181 3.777 3.960 -0.003 0.000 0.254 321 G HA3 -0.181 3.777 3.960 -0.003 0.000 0.254 321 G C -0.284 174.711 174.900 0.159 0.000 0.981 321 G CA 0.110 45.180 45.100 -0.051 0.000 0.670 321 G HN 0.265 nan 8.290 nan 0.000 0.528 322 W N 1.477 122.768 121.300 -0.016 0.000 1.992 322 W HA 0.589 5.248 4.660 -0.003 0.000 0.449 322 W C 1.111 177.666 176.519 0.060 0.000 0.617 322 W CA -0.693 56.683 57.345 0.052 0.000 2.341 322 W CB -1.344 28.187 29.460 0.117 0.000 1.156 322 W HN 0.540 nan 8.180 nan 0.000 0.538 323 I N -2.341 118.358 120.570 0.216 0.000 3.145 323 I HA 0.518 4.686 4.170 -0.003 0.000 0.313 323 I C -0.512 175.675 176.117 0.118 0.000 1.122 323 I CA -1.085 60.297 61.300 0.137 0.000 0.987 323 I CB 2.520 40.546 38.000 0.044 0.000 1.236 323 I HN -0.355 nan 8.210 nan 0.000 0.453 324 D N 2.473 122.951 120.400 0.130 0.000 2.485 324 D HA 0.260 4.899 4.640 -0.003 0.000 0.221 324 D C 0.570 176.932 176.300 0.104 0.000 1.112 324 D CA -0.249 53.844 54.000 0.155 0.000 0.911 324 D CB 1.101 42.052 40.800 0.250 0.000 1.019 324 D HN 0.553 nan 8.370 nan 0.000 0.516 325 K N 2.319 122.733 120.400 0.024 0.000 2.063 325 K HA -0.103 4.216 4.320 -0.003 0.000 0.208 325 K C -0.917 175.679 176.600 -0.008 0.000 1.048 325 K CA 1.211 57.466 56.287 -0.054 0.000 0.928 325 K CB -0.456 32.018 32.500 -0.044 0.000 0.713 325 K HN 0.341 nan 8.250 nan 0.000 0.442 326 P HA -0.161 nan 4.420 nan 0.000 0.217 326 P C 1.100 178.475 177.300 0.125 0.000 1.150 326 P CA 0.938 64.087 63.100 0.081 0.000 0.832 326 P CB 0.035 31.801 31.700 0.111 0.000 0.787 327 F N 0.062 120.024 119.950 0.021 0.000 2.146 327 F HA -0.103 4.421 4.527 -0.004 0.000 0.298 327 F C 1.961 177.774 175.800 0.021 0.000 1.096 327 F CA 1.267 59.275 58.000 0.013 0.000 1.275 327 F CB -0.798 38.085 39.000 -0.195 0.000 1.008 327 F HN -0.242 nan 8.300 nan 0.000 0.480 328 I N 0.150 120.652 120.570 -0.112 0.000 2.179 328 I HA -0.265 3.903 4.170 -0.003 0.000 0.242 328 I C 2.373 178.367 176.117 -0.205 0.000 1.088 328 I CA 1.778 62.946 61.300 -0.220 0.000 1.357 328 I CB -0.517 37.294 38.000 -0.314 0.000 1.051 328 I HN 0.125 nan 8.210 nan 0.000 0.409 329 E N 1.084 121.195 120.200 -0.149 0.000 2.110 329 E HA -0.178 4.170 4.350 -0.003 0.000 0.193 329 E C 2.033 178.542 176.600 -0.153 0.000 0.988 329 E CA 1.631 57.962 56.400 -0.116 0.000 0.804 329 E CB -0.085 29.572 29.700 -0.073 0.000 0.745 329 E HN 0.450 nan 8.360 nan 0.000 0.458 330 A N -0.930 121.776 122.820 -0.191 0.000 2.030 330 A HA -0.017 4.302 4.320 -0.003 0.000 0.215 330 A C 1.255 178.470 177.584 -0.615 0.000 1.164 330 A CA 0.953 52.783 52.037 -0.345 0.000 0.697 330 A CB -0.147 18.667 19.000 -0.309 0.000 0.827 330 A HN 0.331 nan 8.150 nan 0.000 0.457 331 H N -0.688 118.180 119.070 -0.337 0.000 2.785 331 H HA 0.172 4.727 4.556 -0.002 0.000 0.268 331 H C 0.010 175.108 175.328 -0.383 0.000 1.153 331 H CA 0.841 56.685 56.048 -0.341 0.000 1.111 331 H CB 0.375 29.875 29.762 -0.437 0.000 1.633 331 H HN 0.569 nan 8.280 nan 0.000 0.576 332 T N -1.427 112.961 114.554 -0.277 0.000 2.838 332 T HA 0.603 4.952 4.350 -0.003 0.000 0.292 332 T C -0.740 173.868 174.700 -0.153 0.000 1.113 332 T CA -0.943 61.010 62.100 -0.244 0.000 1.008 332 T CB 3.566 72.405 68.868 -0.048 0.000 1.259 332 T HN -0.127 nan 8.240 nan 0.000 0.520 333 K N -0.361 119.963 120.400 -0.126 0.000 2.501 333 K HA 0.620 4.938 4.320 -0.003 0.000 0.252 333 K C 0.503 177.205 176.600 0.170 0.000 0.934 333 K CA -0.095 56.175 56.287 -0.029 0.000 0.797 333 K CB 1.563 33.990 32.500 -0.121 0.000 1.270 333 K HN 1.398 nan 8.250 nan 0.000 0.431 334 G N 1.852 110.731 108.800 0.131 0.000 2.157 334 G HA2 -0.319 3.639 3.960 -0.003 0.000 0.239 334 G HA3 -0.319 3.639 3.960 -0.003 0.000 0.239 334 G C 0.665 175.532 174.900 -0.055 0.000 0.982 334 G CA 0.401 45.568 45.100 0.113 0.000 0.650 334 G HN 0.554 nan 8.290 nan 0.000 0.527 335 F N 1.972 121.666 119.950 -0.426 0.000 2.026 335 F HA -0.033 4.493 4.527 -0.002 0.000 0.296 335 F C 2.204 177.772 175.800 -0.387 0.000 1.133 335 F CA 2.440 59.909 58.000 -0.886 0.000 1.188 335 F CB -0.264 38.293 39.000 -0.739 0.000 0.968 335 F HN 0.171 nan 8.300 nan 0.000 0.476 336 D N 0.298 120.456 120.400 -0.404 0.000 2.158 336 D HA -0.213 4.425 4.640 -0.003 0.000 0.197 336 D C 1.856 177.967 176.300 -0.315 0.000 0.995 336 D CA 1.724 55.477 54.000 -0.412 0.000 0.846 336 D CB -0.458 40.256 40.800 -0.143 0.000 0.941 336 D HN 0.453 nan 8.370 nan 0.000 0.456 337 D N 0.427 120.707 120.400 -0.201 0.000 2.123 337 D HA -0.054 4.585 4.640 -0.003 0.000 0.200 337 D C 2.087 178.320 176.300 -0.112 0.000 0.976 337 D CA 0.859 54.790 54.000 -0.116 0.000 0.831 337 D CB -0.065 40.708 40.800 -0.046 0.000 0.974 337 D HN 0.111 nan 8.370 nan 0.000 0.469 338 A N 0.863 123.598 122.820 -0.142 0.000 1.930 338 A HA -0.110 4.209 4.320 -0.003 0.000 0.217 338 A C 2.534 180.143 177.584 0.042 0.000 1.175 338 A CA 0.877 52.884 52.037 -0.050 0.000 0.627 338 A CB -0.664 18.301 19.000 -0.058 0.000 0.815 338 A HN 0.114 nan 8.150 nan 0.000 0.443 339 V N 0.246 120.073 119.914 -0.145 0.000 2.332 339 V HA -0.325 3.794 4.120 -0.003 0.000 0.248 339 V C 2.482 178.524 176.094 -0.087 0.000 1.055 339 V CA 2.519 64.713 62.300 -0.177 0.000 1.038 339 V CB -0.679 30.828 31.823 -0.526 0.000 0.651 339 V HN 0.580 nan 8.190 nan 0.000 0.450 340 K N 0.301 120.639 120.400 -0.102 0.000 2.001 340 K HA -0.141 4.178 4.320 -0.003 0.000 0.208 340 K C 2.293 178.889 176.600 -0.006 0.000 1.048 340 K CA 1.916 58.169 56.287 -0.056 0.000 0.932 340 K CB -0.611 31.852 32.500 -0.062 0.000 0.715 340 K HN 0.694 nan 8.250 nan 0.000 0.437 341 T N -0.299 114.259 114.554 0.007 0.000 2.867 341 T HA -0.053 4.295 4.350 -0.003 0.000 0.268 341 T C 1.414 176.156 174.700 0.070 0.000 1.057 341 T CA 1.156 63.277 62.100 0.035 0.000 1.136 341 T CB -0.161 68.727 68.868 0.033 0.000 0.874 341 T HN 0.006 nan 8.240 nan 0.000 0.466 342 N N 0.714 119.474 118.700 0.100 0.000 2.280 342 N HA 0.168 4.907 4.740 -0.003 0.000 0.192 342 N C 0.427 176.032 175.510 0.157 0.000 1.109 342 N CA -0.106 53.034 53.050 0.150 0.000 0.855 342 N CB -0.303 38.301 38.487 0.196 0.000 0.974 342 N HN 0.481 nan 8.380 nan 0.000 0.482 343 R N 1.181 121.738 120.500 0.095 0.000 2.486 343 R HA 0.034 4.372 4.340 -0.003 0.000 0.303 343 R C -0.950 175.384 176.300 0.056 0.000 0.958 343 R CA 0.373 56.504 56.100 0.052 0.000 1.077 343 R CB -0.071 30.236 30.300 0.011 0.000 0.921 343 R HN 0.010 nan 8.270 nan 0.000 0.406 344 L N 3.395 124.646 121.223 0.046 0.000 2.565 344 L HA 0.230 4.569 4.340 -0.003 0.000 0.261 344 L C -0.888 175.992 176.870 0.016 0.000 0.932 344 L CA -0.169 54.688 54.840 0.030 0.000 0.878 344 L CB 2.167 44.240 42.059 0.024 0.000 1.333 344 L HN 0.732 nan 8.230 nan 0.000 0.409 345 S N 4.051 119.754 115.700 0.005 0.000 2.601 345 S HA 0.406 4.874 4.470 -0.003 0.000 0.271 345 S C 1.354 175.947 174.600 -0.012 0.000 1.305 345 S CA -0.689 57.514 58.200 0.005 0.000 1.022 345 S CB 0.915 64.115 63.200 0.001 0.000 0.940 345 S HN 0.731 nan 8.310 nan 0.000 0.525 346 L N 0.815 122.032 121.223 -0.009 0.000 2.081 346 L HA -0.171 4.167 4.340 -0.003 0.000 0.212 346 L C 2.201 179.035 176.870 -0.059 0.000 1.080 346 L CA 1.609 56.416 54.840 -0.054 0.000 0.754 346 L CB -0.749 41.256 42.059 -0.091 0.000 0.893 346 L HN 0.722 nan 8.230 nan 0.000 0.433 347 D N -0.190 120.187 120.400 -0.039 0.000 2.104 347 D HA -0.175 4.463 4.640 -0.003 0.000 0.194 347 D C 2.135 178.410 176.300 -0.042 0.000 0.994 347 D CA 1.244 55.222 54.000 -0.037 0.000 0.830 347 D CB -0.066 40.721 40.800 -0.021 0.000 0.959 347 D HN 0.369 nan 8.370 nan 0.000 0.452 348 E N 0.551 120.729 120.200 -0.037 0.000 2.047 348 E HA -0.116 4.233 4.350 -0.003 0.000 0.191 348 E C 2.374 178.923 176.600 -0.085 0.000 0.987 348 E CA 0.213 56.588 56.400 -0.041 0.000 0.799 348 E CB -0.868 28.819 29.700 -0.021 0.000 0.752 348 E HN 0.267 nan 8.360 nan 0.000 0.449 349 C N 1.004 120.245 119.300 -0.099 0.000 2.401 349 C HA -0.164 4.294 4.460 -0.003 0.000 0.276 349 C C 3.149 178.051 174.990 -0.146 0.000 1.233 349 C CA 1.784 60.712 59.018 -0.150 0.000 1.753 349 C CB -0.936 26.735 27.740 -0.116 0.000 2.029 349 C HN 0.419 nan 8.230 nan 0.000 0.478 350 S N 0.552 116.188 115.700 -0.107 0.000 2.368 350 S HA -0.133 4.336 4.470 -0.003 0.000 0.224 350 S C 1.730 176.279 174.600 -0.085 0.000 1.029 350 S CA 1.844 59.986 58.200 -0.096 0.000 0.988 350 S CB -0.551 62.601 63.200 -0.079 0.000 0.838 350 S HN 0.764 nan 8.310 nan 0.000 0.462 351 N N 1.243 119.900 118.700 -0.071 0.000 2.244 351 N HA 0.053 4.792 4.740 -0.003 0.000 0.183 351 N C 1.672 177.148 175.510 -0.058 0.000 1.016 351 N CA 1.174 54.193 53.050 -0.051 0.000 0.866 351 N CB -0.372 38.097 38.487 -0.030 0.000 0.980 351 N HN 0.491 nan 8.380 nan 0.000 0.430 352 I N 0.457 120.967 120.570 -0.099 0.000 2.235 352 I HA -0.164 4.005 4.170 -0.003 0.000 0.241 352 I C 2.312 178.340 176.117 -0.148 0.000 1.085 352 I CA 1.293 62.517 61.300 -0.125 0.000 1.378 352 I CB -0.515 37.310 38.000 -0.291 0.000 1.076 352 I HN 0.176 nan 8.210 nan 0.000 0.415 353 T N -1.670 112.768 114.554 -0.193 0.000 2.995 353 T HA 0.091 4.440 4.350 -0.003 0.000 0.269 353 T C 1.694 176.328 174.700 -0.110 0.000 1.091 353 T CA 0.764 62.762 62.100 -0.169 0.000 1.128 353 T CB -0.036 68.717 68.868 -0.191 0.000 0.891 353 T HN 0.577 nan 8.240 nan 0.000 0.492 354 G N 0.476 109.220 108.800 -0.093 0.000 2.179 354 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.260 354 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.260 354 G C 0.076 174.929 174.900 -0.078 0.000 0.977 354 G CA 0.031 45.088 45.100 -0.071 0.000 0.641 354 G HN 0.740 nan 8.290 nan 0.000 0.533 355 V N 2.158 122.016 119.914 -0.094 0.000 2.461 355 V HA 0.397 4.516 4.120 -0.003 0.000 0.275 355 V C -1.398 174.641 176.094 -0.091 0.000 1.047 355 V CA -1.422 60.819 62.300 -0.097 0.000 0.955 355 V CB 1.428 33.188 31.823 -0.105 0.000 0.988 355 V HN 0.093 nan 8.190 nan 0.000 0.471 356 P HA 0.031 nan 4.420 nan 0.000 0.266 356 P C 1.055 178.301 177.300 -0.090 0.000 1.195 356 P CA 0.110 63.164 63.100 -0.076 0.000 0.768 356 P CB 0.636 32.296 31.700 -0.068 0.000 0.838 357 V N 2.979 122.843 119.914 -0.083 0.000 2.392 357 V HA -0.275 3.844 4.120 -0.003 0.000 0.249 357 V C 2.025 178.052 176.094 -0.113 0.000 1.059 357 V CA 2.443 64.682 62.300 -0.101 0.000 1.051 357 V CB -1.160 30.614 31.823 -0.081 0.000 0.658 357 V HN 0.714 nan 8.190 nan 0.000 0.455 358 D N -0.254 120.094 120.400 -0.086 0.000 2.117 358 D HA -0.260 4.379 4.640 -0.003 0.000 0.197 358 D C 2.065 178.294 176.300 -0.119 0.000 0.987 358 D CA 1.659 55.611 54.000 -0.080 0.000 0.829 358 D CB -0.351 40.418 40.800 -0.051 0.000 0.961 358 D HN 0.430 nan 8.370 nan 0.000 0.460 359 M N 0.115 119.636 119.600 -0.132 0.000 2.132 359 M HA -0.044 4.435 4.480 -0.003 0.000 0.263 359 M C 2.663 178.842 176.300 -0.201 0.000 1.065 359 M CA 1.010 56.201 55.300 -0.182 0.000 1.122 359 M CB -0.231 32.276 32.600 -0.155 0.000 1.365 359 M HN -0.000 nan 8.290 nan 0.000 0.411 360 L N -0.028 121.100 121.223 -0.159 0.000 2.046 360 L HA -0.233 4.106 4.340 -0.003 0.000 0.208 360 L C 2.483 179.246 176.870 -0.179 0.000 1.077 360 L CA 1.413 56.168 54.840 -0.142 0.000 0.747 360 L CB -0.713 41.253 42.059 -0.155 0.000 0.896 360 L HN 0.304 nan 8.230 nan 0.000 0.432 361 K N -0.266 119.997 120.400 -0.227 0.000 2.097 361 K HA -0.141 4.177 4.320 -0.003 0.000 0.205 361 K C 2.289 178.854 176.600 -0.058 0.000 1.050 361 K CA 1.060 57.224 56.287 -0.204 0.000 0.938 361 K CB -0.109 32.308 32.500 -0.139 0.000 0.718 361 K HN 0.253 nan 8.250 nan 0.000 0.442 362 R N 0.409 120.800 120.500 -0.180 0.000 2.081 362 R HA -0.086 4.253 4.340 -0.003 0.000 0.235 362 R C 2.394 178.332 176.300 -0.603 0.000 1.131 362 R CA 1.199 57.074 56.100 -0.375 0.000 0.960 362 R CB -0.311 29.660 30.300 -0.548 0.000 0.856 362 R HN 0.179 nan 8.270 nan 0.000 0.436 363 A N 1.163 123.709 122.820 -0.456 0.000 1.883 363 A HA -0.167 4.151 4.320 -0.003 0.000 0.217 363 A C 2.358 180.005 177.584 0.105 0.000 1.186 363 A CA 1.883 53.743 52.037 -0.295 0.000 0.624 363 A CB -0.681 18.259 19.000 -0.099 0.000 0.822 363 A HN 0.419 nan 8.150 nan 0.000 0.444 364 A N -0.475 122.517 122.820 0.286 0.000 1.902 364 A HA -0.188 4.130 4.320 -0.003 0.000 0.217 364 A C 2.077 179.979 177.584 0.529 0.000 1.181 364 A CA 1.849 54.256 52.037 0.617 0.000 0.623 364 A CB -0.590 18.886 19.000 0.794 0.000 0.818 364 A HN 0.698 nan 8.150 nan 0.000 0.443 365 E N -1.266 119.183 120.200 0.415 0.000 2.051 365 E HA -0.243 4.105 4.350 -0.003 0.000 0.192 365 E C 1.813 178.501 176.600 0.146 0.000 0.991 365 E CA 1.524 58.042 56.400 0.198 0.000 0.799 365 E CB -0.268 29.592 29.700 0.266 0.000 0.748 365 E HN 0.725 nan 8.360 nan 0.000 0.449 366 W N 0.949 122.221 121.300 -0.047 0.000 2.335 366 W HA -0.105 4.553 4.660 -0.003 0.000 0.311 366 W C 2.713 179.133 176.519 -0.164 0.000 1.213 366 W CA 1.364 58.645 57.345 -0.107 0.000 1.274 366 W CB -1.015 28.378 29.460 -0.113 0.000 1.148 366 W HN 0.102 nan 8.180 nan 0.000 0.498 367 S N -1.850 113.863 115.700 0.022 0.000 2.406 367 S HA -0.083 4.386 4.470 -0.003 0.000 0.224 367 S C 1.295 175.592 174.600 -0.506 0.000 1.030 367 S CA 1.157 59.149 58.200 -0.346 0.000 0.958 367 S CB -0.323 62.492 63.200 -0.640 0.000 0.811 367 S HN 0.241 nan 8.310 nan 0.000 0.489 368 Y N 0.649 121.084 120.300 0.225 0.000 2.452 368 Y HA 0.418 4.966 4.550 -0.004 0.000 0.262 368 Y C 0.649 176.476 175.900 -0.123 0.000 1.089 368 Y CA -1.057 57.142 58.100 0.166 0.000 1.262 368 Y CB -0.124 38.564 38.460 0.381 0.000 1.236 368 Y HN -0.016 nan 8.280 nan 0.000 0.512 369 K N 3.508 123.614 120.400 -0.490 0.000 2.472 369 K HA 0.081 4.400 4.320 -0.003 0.000 0.280 369 K C -2.646 173.644 176.600 -0.518 0.000 1.028 369 K CA -1.547 54.003 56.287 -1.228 0.000 1.045 369 K CB 0.363 31.968 32.500 -1.492 0.000 0.902 369 K HN -0.083 nan 8.250 nan 0.000 0.478 370 P HA -0.072 nan 4.420 nan 0.000 0.267 370 P C -0.912 176.282 177.300 -0.177 0.000 1.201 370 P CA 0.271 63.264 63.100 -0.179 0.000 0.775 370 P CB 0.494 32.133 31.700 -0.100 0.000 0.854 371 K N 1.370 121.687 120.400 -0.137 0.000 2.107 371 K HA 0.370 4.688 4.320 -0.003 0.000 0.251 371 K C 1.479 178.009 176.600 -0.115 0.000 1.012 371 K CA -0.354 55.852 56.287 -0.135 0.000 0.920 371 K CB 0.364 32.776 32.500 -0.148 0.000 1.033 371 K HN 0.334 nan 8.250 nan 0.000 0.478 372 A N 1.077 123.832 122.820 -0.108 0.000 1.917 372 A HA -0.215 4.104 4.320 -0.003 0.000 0.219 372 A C 1.989 179.521 177.584 -0.087 0.000 1.182 372 A CA 2.440 54.425 52.037 -0.086 0.000 0.633 372 A CB -0.927 18.025 19.000 -0.080 0.000 0.819 372 A HN 0.776 nan 8.150 nan 0.000 0.448 373 S N -2.163 113.467 115.700 -0.118 0.000 2.547 373 S HA 0.315 4.783 4.470 -0.003 0.000 0.235 373 S C 1.554 176.098 174.600 -0.093 0.000 0.980 373 S CA 1.229 59.359 58.200 -0.116 0.000 0.941 373 S CB -0.257 62.840 63.200 -0.172 0.000 0.763 373 S HN 1.926 nan 8.310 nan 0.000 0.532 374 G N 0.143 108.891 108.800 -0.087 0.000 2.424 374 G HA2 -0.217 3.742 3.960 -0.003 0.000 0.207 374 G HA3 -0.217 3.742 3.960 -0.003 0.000 0.207 374 G C -0.127 174.734 174.900 -0.065 0.000 1.061 374 G CA -0.243 44.819 45.100 -0.063 0.000 0.657 374 G HN 0.564 nan 8.290 nan 0.000 0.508 375 Q N 1.444 121.190 119.800 -0.090 0.000 2.394 375 Q HA 0.708 5.047 4.340 -0.003 0.000 0.248 375 Q C 0.625 176.570 176.000 -0.092 0.000 0.992 375 Q CA 0.509 56.256 55.803 -0.094 0.000 0.888 375 Q CB 0.987 29.646 28.738 -0.132 0.000 1.257 375 Q HN 1.044 nan 8.270 nan 0.000 0.462 376 A N 2.546 125.325 122.820 -0.069 0.000 2.366 376 A HA 0.445 4.764 4.320 -0.003 0.000 0.249 376 A C -2.149 175.401 177.584 -0.057 0.000 1.084 376 A CA -1.222 50.791 52.037 -0.039 0.000 0.794 376 A CB -0.395 18.621 19.000 0.028 0.000 1.034 376 A HN 0.514 nan 8.150 nan 0.000 0.491 377 P HA 0.177 nan 4.420 nan 0.000 0.269 377 P C -0.669 176.624 177.300 -0.012 0.000 1.209 377 P CA 0.079 63.160 63.100 -0.033 0.000 0.776 377 P CB 0.386 32.066 31.700 -0.033 0.000 0.876 378 R N 1.316 121.801 120.500 -0.025 0.000 2.296 378 R HA 0.295 4.633 4.340 -0.003 0.000 0.327 378 R C -0.328 175.982 176.300 0.016 0.000 1.137 378 R CA -0.014 56.070 56.100 -0.027 0.000 1.020 378 R CB -0.133 30.130 30.300 -0.062 0.000 1.110 378 R HN 0.394 nan 8.270 nan 0.000 0.499 379 T N 4.004 118.602 114.554 0.074 0.000 2.770 379 T HA 0.203 4.552 4.350 -0.003 0.000 0.297 379 T C -0.078 174.687 174.700 0.108 0.000 0.997 379 T CA -0.466 61.676 62.100 0.071 0.000 0.949 379 T CB 0.916 69.843 68.868 0.099 0.000 0.941 379 T HN 0.370 nan 8.240 nan 0.000 0.457 380 M N 4.627 124.244 119.600 0.028 0.000 2.105 380 M HA 0.277 4.756 4.480 -0.003 0.000 0.350 380 M C -0.977 175.361 176.300 0.064 0.000 1.308 380 M CA -0.399 54.950 55.300 0.083 0.000 1.108 380 M CB 0.078 32.671 32.600 -0.012 0.000 1.622 380 M HN 0.612 nan 8.290 nan 0.000 0.468 381 H N 3.726 122.871 119.070 0.125 0.000 2.594 381 H HA 0.593 5.147 4.556 -0.003 0.000 0.304 381 H C -0.530 174.931 175.328 0.222 0.000 1.068 381 H CA -0.352 55.792 56.048 0.160 0.000 1.308 381 H CB 0.986 30.752 29.762 0.006 0.000 1.409 381 H HN 0.734 nan 8.280 nan 0.000 0.460 382 A N 3.699 126.730 122.820 0.353 0.000 2.350 382 A HA 0.668 4.987 4.320 -0.003 0.000 0.324 382 A C -1.317 176.503 177.584 0.393 0.000 1.118 382 A CA -0.788 51.447 52.037 0.330 0.000 0.783 382 A CB 0.607 19.840 19.000 0.389 0.000 1.236 382 A HN 0.751 nan 8.150 nan 0.000 0.457 383 Y N -0.714 119.713 120.300 0.212 0.000 2.588 383 Y HA 0.883 5.432 4.550 -0.002 0.000 0.343 383 Y C -0.369 175.602 175.900 0.119 0.000 1.065 383 Y CA -0.880 57.323 58.100 0.173 0.000 1.038 383 Y CB 1.277 39.809 38.460 0.120 0.000 1.297 383 Y HN 0.693 nan 8.280 nan 0.000 0.467 384 E N 0.325 120.662 120.200 0.228 0.000 2.909 384 E HA 0.416 4.764 4.350 -0.003 0.000 0.119 384 E C 0.344 176.973 176.600 0.048 0.000 1.056 384 E CA -0.408 56.026 56.400 0.056 0.000 0.788 384 E CB 0.420 30.124 29.700 0.006 0.000 2.111 384 E HN 0.449 nan 8.360 nan 0.000 0.447 385 K N 0.190 120.539 120.400 -0.085 0.000 2.442 385 K HA 0.079 4.398 4.320 -0.003 0.000 0.198 385 K C 1.590 178.238 176.600 0.081 0.000 1.042 385 K CA 0.971 57.141 56.287 -0.194 0.000 0.958 385 K CB -0.573 31.722 32.500 -0.341 0.000 0.766 385 K HN 0.504 nan 8.250 nan 0.000 0.474 386 G N 1.559 110.467 108.800 0.180 0.000 2.443 386 G HA2 -0.162 3.796 3.960 -0.003 0.000 0.219 386 G HA3 -0.162 3.796 3.960 -0.003 0.000 0.219 386 G C 1.504 176.589 174.900 0.308 0.000 1.131 386 G CA 0.787 46.058 45.100 0.285 0.000 0.775 386 G HN 0.483 nan 8.290 nan 0.000 0.547 387 I N -3.606 117.117 120.570 0.254 0.000 4.312 387 I HA 0.377 4.545 4.170 -0.003 0.000 0.324 387 I C 2.157 178.385 176.117 0.186 0.000 1.298 387 I CA -0.121 61.315 61.300 0.226 0.000 1.231 387 I CB 0.055 38.174 38.000 0.200 0.000 1.152 387 I HN -0.046 nan 8.210 nan 0.000 0.421 388 I N 0.799 121.442 120.570 0.122 0.000 2.252 388 I HA -0.166 4.003 4.170 -0.003 0.000 0.245 388 I C 1.219 177.505 176.117 0.281 0.000 1.102 388 I CA 1.973 63.286 61.300 0.022 0.000 1.385 388 I CB -0.146 37.670 38.000 -0.306 0.000 1.064 388 I HN 0.352 nan 8.210 nan 0.000 0.414 389 W N 1.260 122.716 121.300 0.260 0.000 3.086 389 W HA 0.344 5.004 4.660 -0.001 0.000 0.436 389 W C 1.026 177.787 176.519 0.403 0.000 0.939 389 W CA -0.916 56.647 57.345 0.364 0.000 2.108 389 W CB 0.116 29.822 29.460 0.410 0.000 1.093 389 W HN -0.028 nan 8.180 nan 0.000 0.783 390 G N 0.630 109.697 108.800 0.446 0.000 2.531 390 G HA2 -0.021 3.937 3.960 -0.003 0.000 0.281 390 G HA3 -0.021 3.937 3.960 -0.003 0.000 0.281 390 G C -0.442 174.170 174.900 -0.479 0.000 1.382 390 G CA -0.702 44.504 45.100 0.177 0.000 1.045 390 G HN -0.021 nan 8.290 nan 0.000 0.533 391 N N 1.178 119.416 118.700 -0.770 0.000 2.454 391 N HA 0.103 4.842 4.740 -0.003 0.000 0.285 391 N C -0.269 175.106 175.510 -0.226 0.000 1.233 391 N CA 0.358 52.879 53.050 -0.882 0.000 1.036 391 N CB -0.371 37.895 38.487 -0.368 0.000 1.423 391 N HN 0.470 nan 8.380 nan 0.000 0.495 392 D N 1.742 122.137 120.400 -0.010 0.000 3.830 392 D HA -0.199 4.439 4.640 -0.003 0.000 0.247 392 D C 0.734 177.166 176.300 0.221 0.000 1.073 392 D CA 0.181 54.356 54.000 0.292 0.000 1.116 392 D CB -0.922 40.033 40.800 0.258 0.000 0.909 392 D HN 0.687 nan 8.370 nan 0.000 0.418 393 N N 1.927 120.780 118.700 0.254 0.000 2.091 393 N HA -0.275 4.463 4.740 -0.003 0.000 0.193 393 N C 1.637 177.253 175.510 0.177 0.000 1.021 393 N CA 2.039 55.219 53.050 0.217 0.000 0.862 393 N CB -0.380 38.273 38.487 0.275 0.000 1.018 393 N HN 0.701 nan 8.380 nan 0.000 0.429 394 Y N 0.809 121.172 120.300 0.105 0.000 2.200 394 Y HA -0.073 4.476 4.550 -0.002 0.000 0.290 394 Y C 2.461 178.387 175.900 0.044 0.000 1.137 394 Y CA 1.302 59.444 58.100 0.070 0.000 1.163 394 Y CB -0.127 38.373 38.460 0.066 0.000 0.988 394 Y HN -0.092 nan 8.280 nan 0.000 0.518 395 V N 0.148 120.200 119.914 0.230 0.000 2.453 395 V HA -0.283 3.836 4.120 -0.003 0.000 0.247 395 V C 2.226 178.355 176.094 0.058 0.000 1.048 395 V CA 1.854 64.245 62.300 0.150 0.000 1.049 395 V CB -0.526 31.410 31.823 0.189 0.000 0.672 395 V HN 0.396 nan 8.190 nan 0.000 0.457 396 I N -0.156 120.455 120.570 0.070 0.000 2.179 396 I HA -0.318 3.851 4.170 -0.003 0.000 0.242 396 I C 2.672 178.720 176.117 -0.115 0.000 1.088 396 I CA 1.694 63.024 61.300 0.051 0.000 1.357 396 I CB -0.432 37.623 38.000 0.091 0.000 1.051 396 I HN 0.357 nan 8.210 nan 0.000 0.409 397 Q N 0.192 119.871 119.800 -0.200 0.000 2.170 397 Q HA -0.146 4.192 4.340 -0.003 0.000 0.203 397 Q C 2.421 178.214 176.000 -0.346 0.000 0.976 397 Q CA 1.677 57.269 55.803 -0.351 0.000 0.858 397 Q CB -0.092 28.439 28.738 -0.346 0.000 0.907 397 Q HN 0.461 nan 8.270 nan 0.000 0.433 398 S N 0.888 116.414 115.700 -0.291 0.000 2.368 398 S HA -0.157 4.311 4.470 -0.003 0.000 0.225 398 S C 2.065 176.524 174.600 -0.235 0.000 1.030 398 S CA 1.041 59.084 58.200 -0.262 0.000 0.999 398 S CB -0.238 62.858 63.200 -0.173 0.000 0.844 398 S HN 0.498 nan 8.310 nan 0.000 0.459 399 A N 1.558 124.278 122.820 -0.168 0.000 1.855 399 A HA -0.006 4.312 4.320 -0.003 0.000 0.215 399 A C 2.146 179.564 177.584 -0.277 0.000 1.191 399 A CA 1.379 53.334 52.037 -0.138 0.000 0.613 399 A CB -0.815 18.219 19.000 0.056 0.000 0.829 399 A HN 0.400 nan 8.150 nan 0.000 0.442 400 L N -0.331 120.626 121.223 -0.444 0.000 1.994 400 L HA -0.118 4.220 4.340 -0.003 0.000 0.208 400 L C 2.121 178.637 176.870 -0.589 0.000 1.071 400 L CA 1.715 56.075 54.840 -0.800 0.000 0.745 400 L CB -0.585 40.852 42.059 -1.036 0.000 0.892 400 L HN 0.268 nan 8.230 nan 0.000 0.431 401 L N -0.243 120.684 121.223 -0.494 0.000 2.127 401 L HA -0.230 4.109 4.340 -0.003 0.000 0.211 401 L C 2.312 178.908 176.870 -0.457 0.000 1.089 401 L CA 1.604 56.179 54.840 -0.440 0.000 0.757 401 L CB -1.657 40.166 42.059 -0.394 0.000 0.899 401 L HN 0.403 nan 8.230 nan 0.000 0.434 402 D N -0.446 119.690 120.400 -0.441 0.000 2.097 402 D HA -0.189 4.449 4.640 -0.003 0.000 0.195 402 D C 2.173 178.318 176.300 -0.257 0.000 0.989 402 D CA 0.853 54.603 54.000 -0.416 0.000 0.827 402 D CB -0.067 40.379 40.800 -0.589 0.000 0.966 402 D HN 0.171 nan 8.370 nan 0.000 0.456 403 L N 0.727 121.782 121.223 -0.281 0.000 2.017 403 L HA -0.142 4.197 4.340 -0.003 0.000 0.208 403 L C 2.249 179.019 176.870 -0.168 0.000 1.073 403 L CA 1.423 56.230 54.840 -0.056 0.000 0.745 403 L CB -0.649 41.336 42.059 -0.123 0.000 0.894 403 L HN -0.120 nan 8.230 nan 0.000 0.432 404 V N -0.107 119.593 119.914 -0.357 0.000 2.343 404 V HA -0.307 3.812 4.120 -0.003 0.000 0.247 404 V C 2.530 178.535 176.094 -0.149 0.000 1.051 404 V CA 2.216 64.292 62.300 -0.372 0.000 1.036 404 V CB -0.494 31.034 31.823 -0.490 0.000 0.654 404 V HN 0.445 nan 8.190 nan 0.000 0.451 405 I N 0.444 120.899 120.570 -0.192 0.000 2.202 405 I HA -0.202 3.966 4.170 -0.003 0.000 0.242 405 I C 2.669 178.895 176.117 0.183 0.000 1.091 405 I CA 1.472 62.696 61.300 -0.125 0.000 1.368 405 I CB -0.633 36.970 38.000 -0.661 0.000 1.058 405 I HN 0.264 nan 8.210 nan 0.000 0.410 406 A N 0.497 123.509 122.820 0.321 0.000 1.978 406 A HA -0.213 4.105 4.320 -0.003 0.000 0.220 406 A C 2.180 179.911 177.584 0.245 0.000 1.170 406 A CA 2.289 54.585 52.037 0.432 0.000 0.636 406 A CB -1.113 18.276 19.000 0.649 0.000 0.810 406 A HN 0.544 nan 8.150 nan 0.000 0.448 407 T N -4.862 109.788 114.554 0.161 0.000 3.163 407 T HA 0.185 4.533 4.350 -0.003 0.000 0.252 407 T C 0.445 175.255 174.700 0.185 0.000 1.056 407 T CA 0.563 62.755 62.100 0.152 0.000 0.947 407 T CB -0.862 68.059 68.868 0.088 0.000 1.016 407 T HN 0.695 nan 8.240 nan 0.000 0.554 408 H N 1.060 120.122 119.070 -0.013 0.000 2.655 408 H HA -0.153 4.400 4.556 -0.004 0.000 0.313 408 H C -0.405 174.812 175.328 -0.185 0.000 1.141 408 H CA 0.130 55.976 56.048 -0.336 0.000 1.138 408 H CB -1.338 28.118 29.762 -0.510 0.000 1.446 408 H HN 0.329 nan 8.280 nan 0.000 0.415 409 N N 0.913 119.670 118.700 0.094 0.000 2.558 409 N HA 0.149 4.888 4.740 -0.003 0.000 0.281 409 N C -0.579 175.004 175.510 0.122 0.000 1.219 409 N CA 0.794 53.910 53.050 0.109 0.000 0.942 409 N CB 0.791 39.409 38.487 0.219 0.000 1.241 409 N HN 0.313 nan 8.380 nan 0.000 0.511 410 V N -5.237 114.770 119.914 0.156 0.000 2.932 410 V HA 0.817 4.935 4.120 -0.003 0.000 0.307 410 V C 0.926 177.172 176.094 0.253 0.000 1.147 410 V CA -0.367 62.078 62.300 0.243 0.000 0.951 410 V CB 1.420 33.448 31.823 0.343 0.000 1.031 410 V HN 0.190 nan 8.190 nan 0.000 0.426 411 G N 2.811 111.744 108.800 0.222 0.000 2.284 411 G HA2 -0.217 3.741 3.960 -0.003 0.000 0.247 411 G HA3 -0.217 3.741 3.960 -0.003 0.000 0.247 411 G C 0.396 175.325 174.900 0.048 0.000 1.012 411 G CA 0.440 45.627 45.100 0.145 0.000 0.618 411 G HN 0.955 nan 8.290 nan 0.000 0.521 412 R N 0.619 121.106 120.500 -0.022 0.000 2.428 412 R HA 0.527 4.866 4.340 -0.003 0.000 0.294 412 R C 0.177 176.468 176.300 -0.016 0.000 1.000 412 R CA -1.039 54.996 56.100 -0.109 0.000 0.960 412 R CB 0.663 30.779 30.300 -0.305 0.000 1.076 412 R HN 0.060 nan 8.270 nan 0.000 0.475 413 R N 0.566 121.091 120.500 0.042 0.000 2.590 413 R HA 0.104 4.442 4.340 -0.003 0.000 0.274 413 R C 1.117 177.497 176.300 0.133 0.000 1.061 413 R CA 0.511 56.702 56.100 0.153 0.000 1.081 413 R CB 0.072 30.570 30.300 0.329 0.000 0.984 413 R HN 1.043 nan 8.270 nan 0.000 0.448 414 G N 0.445 109.330 108.800 0.141 0.000 2.175 414 G HA2 -0.313 3.645 3.960 -0.003 0.000 0.244 414 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.244 414 G C 0.383 175.316 174.900 0.056 0.000 0.982 414 G CA 0.713 45.873 45.100 0.100 0.000 0.641 414 G HN 0.880 nan 8.290 nan 0.000 0.527 415 T N -2.823 111.772 114.554 0.069 0.000 2.572 415 T HA 0.947 5.296 4.350 -0.003 0.000 0.244 415 T C 0.684 175.468 174.700 0.141 0.000 0.860 415 T CA 0.311 62.471 62.100 0.100 0.000 1.125 415 T CB 1.955 70.871 68.868 0.079 0.000 1.491 415 T HN 2.296 nan 8.240 nan 0.000 0.532 416 G N -1.209 107.698 108.800 0.179 0.000 2.592 416 G HA2 0.226 4.184 3.960 -0.003 0.000 0.685 416 G HA3 0.226 4.184 3.960 -0.003 0.000 0.685 416 G C -0.650 174.385 174.900 0.224 0.000 1.278 416 G CA -0.511 44.707 45.100 0.197 0.000 0.822 416 G HN 1.421 nan 8.290 nan 0.000 0.652 417 C N 3.218 122.643 119.300 0.207 0.000 2.362 417 C HA 0.802 5.260 4.460 -0.003 0.000 0.309 417 C C 0.559 175.718 174.990 0.280 0.000 1.110 417 C CA 0.260 59.414 59.018 0.226 0.000 1.485 417 C CB -0.940 26.849 27.740 0.081 0.000 1.949 417 C HN 1.760 nan 8.230 nan 0.000 0.419 418 V N 4.142 124.193 119.914 0.229 0.000 3.074 418 V HA 0.691 4.810 4.120 -0.003 0.000 0.314 418 V C -0.291 175.574 176.094 -0.383 0.000 1.117 418 V CA -0.997 61.335 62.300 0.054 0.000 1.014 418 V CB 1.453 33.348 31.823 0.120 0.000 1.057 418 V HN 0.759 nan 8.190 nan 0.000 0.438 419 R N 1.832 122.036 120.500 -0.495 0.000 2.490 419 R HA 0.408 4.747 4.340 -0.003 0.000 0.278 419 R C 0.787 176.958 176.300 -0.216 0.000 1.069 419 R CA -0.714 54.976 56.100 -0.682 0.000 1.080 419 R CB 0.993 31.083 30.300 -0.351 0.000 1.030 419 R HN 0.741 nan 8.270 nan 0.000 0.491 420 M N 0.669 120.191 119.600 -0.130 0.000 2.334 420 M HA 0.106 4.584 4.480 -0.003 0.000 0.266 420 M C 0.838 177.172 176.300 0.056 0.000 1.082 420 M CA 0.951 56.290 55.300 0.066 0.000 1.141 420 M CB -0.605 32.047 32.600 0.087 0.000 1.380 420 M HN 0.936 nan 8.290 nan 0.000 0.440 421 G N -1.314 107.482 108.800 -0.007 0.000 2.619 421 G HA2 0.114 4.073 3.960 -0.003 0.000 0.686 421 G HA3 0.114 4.073 3.960 -0.003 0.000 0.686 421 G C -0.030 174.889 174.900 0.032 0.000 1.256 421 G CA -0.425 44.692 45.100 0.029 0.000 0.826 421 G HN 0.461 nan 8.290 nan 0.000 0.619 422 G N -0.824 108.017 108.800 0.069 0.000 2.474 422 G HA2 0.548 4.506 3.960 -0.003 0.000 0.205 422 G HA3 0.548 4.506 3.960 -0.003 0.000 0.205 422 G C 0.304 175.246 174.900 0.071 0.000 1.934 422 G CA 0.527 45.655 45.100 0.047 0.000 0.713 422 G HN 0.925 nan 8.290 nan 0.000 0.773 423 H N 0.483 119.630 119.070 0.129 0.000 2.505 423 H HA 0.539 5.093 4.556 -0.003 0.000 0.358 423 H C 0.468 175.864 175.328 0.114 0.000 1.304 423 H CA -0.219 55.904 56.048 0.124 0.000 1.393 423 H CB 0.565 30.201 29.762 -0.210 0.000 1.591 423 H HN 0.287 nan 8.280 nan 0.000 0.595 424 Q N 0.356 120.297 119.800 0.236 0.000 2.526 424 Q HA 0.134 4.472 4.340 -0.003 0.000 0.207 424 Q C -0.241 175.848 176.000 0.147 0.000 1.078 424 Q CA -0.333 55.554 55.803 0.141 0.000 1.041 424 Q CB 0.580 29.364 28.738 0.076 0.000 1.228 424 Q HN 0.501 nan 8.270 nan 0.000 0.603 425 E N -0.614 119.632 120.200 0.075 0.000 2.212 425 E HA 0.546 4.895 4.350 -0.003 0.000 0.270 425 E C -0.630 175.869 176.600 -0.169 0.000 0.956 425 E CA -0.490 55.942 56.400 0.053 0.000 0.825 425 E CB 1.831 31.587 29.700 0.094 0.000 1.167 425 E HN 0.812 nan 8.360 nan 0.000 0.400 426 G N 2.074 110.698 108.800 -0.293 0.000 4.579 426 G HA2 0.052 4.010 3.960 -0.003 0.000 0.237 426 G HA3 0.052 4.010 3.960 -0.003 0.000 0.237 426 G C -1.513 173.103 174.900 -0.473 0.000 2.441 426 G CA -0.522 43.923 45.100 -1.091 0.000 0.613 426 G HN 0.327 nan 8.290 nan 0.000 0.284 427 Y N 1.809 122.062 120.300 -0.078 0.000 2.335 427 Y HA 0.660 5.207 4.550 -0.005 0.000 0.339 427 Y C -0.304 175.893 175.900 0.494 0.000 0.987 427 Y CA -0.067 58.181 58.100 0.248 0.000 1.140 427 Y CB 1.967 40.560 38.460 0.221 0.000 1.173 427 Y HN 0.107 nan 8.280 nan 0.000 0.486 428 T N 7.287 121.908 114.554 0.111 0.000 3.170 428 T HA 0.529 4.878 4.350 -0.003 0.000 0.315 428 T C -0.793 173.987 174.700 0.133 0.000 0.967 428 T CA -0.760 61.467 62.100 0.211 0.000 1.024 428 T CB 0.683 69.751 68.868 0.333 0.000 1.018 428 T HN 0.629 nan 8.240 nan 0.000 0.449 429 R N 2.202 122.782 120.500 0.133 0.000 2.752 429 R HA 0.555 4.893 4.340 -0.003 0.000 0.271 429 R C -3.110 173.448 176.300 0.431 0.000 1.026 429 R CA -2.112 54.125 56.100 0.229 0.000 0.901 429 R CB 2.146 32.353 30.300 -0.155 0.000 1.243 429 R HN 0.295 nan 8.270 nan 0.000 0.463 430 P HA 0.268 nan 4.420 nan 0.000 0.278 430 P C -2.534 174.989 177.300 0.371 0.000 1.258 430 P CA -1.555 61.754 63.100 0.349 0.000 0.811 430 P CB 0.261 32.083 31.700 0.203 0.000 1.063 431 P HA -0.029 nan 4.420 nan 0.000 0.269 431 P C -0.823 176.409 177.300 -0.113 0.000 1.217 431 P CA 0.162 63.347 63.100 0.141 0.000 0.783 431 P CB 0.052 31.798 31.700 0.077 0.000 0.898 432 Y N 4.585 124.654 120.300 -0.385 0.000 2.465 432 Y HA 0.195 4.743 4.550 -0.003 0.000 0.331 432 Y C -1.685 173.827 175.900 -0.646 0.000 1.102 432 Y CA -2.147 55.332 58.100 -1.036 0.000 1.358 432 Y CB 0.110 38.203 38.460 -0.611 0.000 1.213 432 Y HN 0.292 nan 8.280 nan 0.000 0.525 433 P HA 0.296 nan 4.420 nan 0.000 0.230 433 P C -0.474 176.326 177.300 -0.833 0.000 1.791 433 P CA 0.369 63.004 63.100 -0.775 0.000 1.020 433 P CB -0.155 31.196 31.700 -0.582 0.000 1.977 434 G N 0.634 109.052 108.800 -0.638 0.000 2.466 434 G HA2 0.200 4.159 3.960 -0.003 0.000 0.291 434 G HA3 0.200 4.159 3.960 -0.003 0.000 0.291 434 G C -0.840 174.091 174.900 0.050 0.000 1.460 434 G CA -0.446 44.471 45.100 -0.304 0.000 0.791 434 G HN 0.061 nan 8.290 nan 0.000 0.505 435 D N -0.550 119.898 120.400 0.079 0.000 2.500 435 D HA 0.140 4.778 4.640 -0.003 0.000 0.218 435 D C 0.324 176.677 176.300 0.089 0.000 1.140 435 D CA 0.455 54.506 54.000 0.086 0.000 0.830 435 D CB 1.168 41.986 40.800 0.029 0.000 1.055 435 D HN 0.267 nan 8.370 nan 0.000 0.512 436 K N 0.989 121.459 120.400 0.117 0.000 2.208 436 K HA 0.412 4.730 4.320 -0.003 0.000 0.247 436 K C -0.050 176.610 176.600 0.100 0.000 0.953 436 K CA -0.589 55.746 56.287 0.080 0.000 0.837 436 K CB 2.418 34.954 32.500 0.061 0.000 1.131 436 K HN -0.315 nan 8.250 nan 0.000 0.431 437 K N 2.489 122.912 120.400 0.038 0.000 2.248 437 K HA 0.356 4.674 4.320 -0.003 0.000 0.281 437 K C -0.469 176.165 176.600 0.057 0.000 1.054 437 K CA -0.243 56.054 56.287 0.016 0.000 0.903 437 K CB 0.670 33.147 32.500 -0.038 0.000 1.077 437 K HN 0.409 nan 8.250 nan 0.000 0.474 438 I N 3.350 123.975 120.570 0.092 0.000 2.362 438 I HA 0.134 4.303 4.170 -0.003 0.000 0.289 438 I C -0.385 175.848 176.117 0.193 0.000 0.994 438 I CA -0.856 60.527 61.300 0.138 0.000 1.158 438 I CB 1.104 39.186 38.000 0.136 0.000 1.315 438 I HN 0.599 nan 8.210 nan 0.000 0.451 439 Y N 7.008 127.346 120.300 0.063 0.000 2.594 439 Y HA 0.106 4.655 4.550 -0.002 0.000 0.344 439 Y C 1.389 177.366 175.900 0.127 0.000 1.185 439 Y CA -0.731 57.410 58.100 0.069 0.000 1.565 439 Y CB 0.426 38.906 38.460 0.033 0.000 1.415 439 Y HN 0.578 nan 8.280 nan 0.000 0.488 440 I N 3.145 123.979 120.570 0.440 0.000 2.145 440 I HA -0.371 3.798 4.170 -0.003 0.000 0.244 440 I C 1.579 177.935 176.117 0.399 0.000 1.075 440 I CA 1.536 63.088 61.300 0.419 0.000 1.332 440 I CB -0.845 37.374 38.000 0.365 0.000 1.033 440 I HN 0.639 nan 8.210 nan 0.000 0.410 441 D N 0.383 121.042 120.400 0.431 0.000 2.123 441 D HA -0.192 4.446 4.640 -0.003 0.000 0.196 441 D C 2.341 178.671 176.300 0.049 0.000 0.992 441 D CA 1.061 55.228 54.000 0.279 0.000 0.833 441 D CB -0.238 40.789 40.800 0.378 0.000 0.954 441 D HN 0.464 nan 8.370 nan 0.000 0.455 442 Q N 0.051 119.732 119.800 -0.199 0.000 2.084 442 Q HA -0.138 4.200 4.340 -0.003 0.000 0.202 442 Q C 1.948 177.921 176.000 -0.046 0.000 0.978 442 Q CA 0.845 56.500 55.803 -0.248 0.000 0.844 442 Q CB 0.016 28.477 28.738 -0.461 0.000 0.898 442 Q HN 0.277 nan 8.270 nan 0.000 0.426 443 E N 0.927 121.167 120.200 0.067 0.000 2.051 443 E HA -0.155 4.193 4.350 -0.003 0.000 0.192 443 E C 2.130 178.748 176.600 0.030 0.000 0.991 443 E CA 0.901 57.377 56.400 0.127 0.000 0.799 443 E CB -0.293 29.607 29.700 0.334 0.000 0.748 443 E HN 0.367 nan 8.360 nan 0.000 0.449 444 L N 0.465 121.692 121.223 0.007 0.000 2.046 444 L HA -0.151 4.187 4.340 -0.003 0.000 0.208 444 L C 2.541 179.383 176.870 -0.047 0.000 1.077 444 L CA 0.891 55.659 54.840 -0.120 0.000 0.747 444 L CB -0.365 41.663 42.059 -0.052 0.000 0.896 444 L HN 0.095 nan 8.230 nan 0.000 0.432 445 I N -0.430 120.139 120.570 -0.003 0.000 2.394 445 I HA -0.266 3.903 4.170 -0.003 0.000 0.251 445 I C 2.370 178.476 176.117 -0.018 0.000 1.136 445 I CA 1.217 62.515 61.300 -0.003 0.000 1.425 445 I CB -0.243 37.753 38.000 -0.006 0.000 1.079 445 I HN 0.210 nan 8.210 nan 0.000 0.425 446 K N 0.548 120.935 120.400 -0.022 0.000 2.211 446 K HA -0.032 4.286 4.320 -0.003 0.000 0.203 446 K C 1.308 177.893 176.600 -0.025 0.000 1.050 446 K CA 1.047 57.324 56.287 -0.017 0.000 0.945 446 K CB -0.001 32.496 32.500 -0.004 0.000 0.732 446 K HN 0.522 nan 8.250 nan 0.000 0.451 447 G N 0.848 109.620 108.800 -0.047 0.000 2.183 447 G HA2 -0.141 3.817 3.960 -0.003 0.000 0.168 447 G HA3 -0.141 3.817 3.960 -0.003 0.000 0.168 447 G C -0.346 174.497 174.900 -0.095 0.000 1.008 447 G CA -0.558 44.504 45.100 -0.064 0.000 0.677 447 G HN -0.040 nan 8.290 nan 0.000 0.498 448 K N 0.865 121.199 120.400 -0.111 0.000 2.168 448 K HA 0.612 4.930 4.320 -0.003 0.000 0.258 448 K C 0.875 177.246 176.600 -0.382 0.000 1.010 448 K CA 0.645 56.862 56.287 -0.117 0.000 0.929 448 K CB 0.803 33.339 32.500 0.059 0.000 0.998 448 K HN 1.670 nan 8.250 nan 0.000 0.479 449 G N 1.302 109.967 108.800 -0.226 0.000 2.721 449 G HA2 -0.182 3.776 3.960 -0.003 0.000 0.686 449 G HA3 -0.182 3.776 3.960 -0.003 0.000 0.686 449 G C 0.222 175.017 174.900 -0.174 0.000 1.236 449 G CA -0.623 44.299 45.100 -0.297 0.000 0.786 449 G HN 0.465 nan 8.290 nan 0.000 0.616 450 R N 0.608 121.076 120.500 -0.052 0.000 2.142 450 R HA 0.339 4.677 4.340 -0.003 0.000 0.204 450 R C 1.361 177.661 176.300 0.001 0.000 1.059 450 R CA 0.884 56.955 56.100 -0.049 0.000 1.055 450 R CB 0.340 30.641 30.300 0.002 0.000 0.976 450 R HN 0.701 nan 8.270 nan 0.000 0.483 451 I N 1.098 121.679 120.570 0.017 0.000 2.582 451 I HA 0.381 4.550 4.170 -0.003 0.000 0.292 451 I C -1.548 174.541 176.117 -0.047 0.000 1.066 451 I CA -1.169 60.163 61.300 0.055 0.000 1.053 451 I CB 1.979 40.004 38.000 0.042 0.000 1.241 451 I HN -0.100 nan 8.210 nan 0.000 0.421 452 M N 6.970 126.521 119.600 -0.082 0.000 2.259 452 M HA 0.467 4.946 4.480 -0.003 0.000 0.304 452 M C -1.581 174.560 176.300 -0.265 0.000 1.019 452 M CA 0.010 55.158 55.300 -0.254 0.000 0.922 452 M CB 1.647 34.005 32.600 -0.405 0.000 1.600 452 M HN 0.450 nan 8.290 nan 0.000 0.433 453 T N 4.971 119.326 114.554 -0.332 0.000 2.791 453 T HA 0.420 4.769 4.350 -0.003 0.000 0.288 453 T C -1.349 173.346 174.700 -0.008 0.000 0.999 453 T CA -0.253 61.791 62.100 -0.094 0.000 0.952 453 T CB 0.566 69.444 68.868 0.017 0.000 0.938 453 T HN 0.561 nan 8.240 nan 0.000 0.444 454 W N 3.641 125.023 121.300 0.137 0.000 2.316 454 W HA 0.287 4.945 4.660 -0.003 0.000 0.308 454 W C -0.743 175.929 176.519 0.256 0.000 1.106 454 W CA -0.980 56.478 57.345 0.190 0.000 1.262 454 W CB 1.146 30.637 29.460 0.051 0.000 1.233 454 W HN 0.553 nan 8.180 nan 0.000 0.447 455 W N 3.897 125.417 121.300 0.368 0.000 2.336 455 W HA 0.368 5.028 4.660 -0.001 0.000 0.315 455 W C 0.800 177.564 176.519 0.409 0.000 1.016 455 W CA -1.221 56.324 57.345 0.334 0.000 1.318 455 W CB 1.121 30.755 29.460 0.291 0.000 1.247 455 W HN 0.728 nan 8.180 nan 0.000 0.414 456 G N 3.530 112.722 108.800 0.653 0.000 2.295 456 G HA2 -0.151 3.808 3.960 -0.003 0.000 0.287 456 G HA3 -0.151 3.808 3.960 -0.003 0.000 0.287 456 G C -0.149 174.977 174.900 0.377 0.000 1.055 456 G CA 0.387 45.753 45.100 0.443 0.000 0.922 456 G HN 1.311 nan 8.290 nan 0.000 0.503 457 C N -2.299 117.203 119.300 0.338 0.000 3.275 457 C HA 0.835 5.293 4.460 -0.003 0.000 0.340 457 C C -0.523 174.586 174.990 0.198 0.000 1.366 457 C CA -0.999 58.213 59.018 0.324 0.000 1.227 457 C CB 1.939 29.964 27.740 0.474 0.000 1.512 457 C HN 0.969 nan 8.230 nan 0.000 0.461 458 N N 0.230 119.003 118.700 0.122 0.000 2.722 458 N HA 0.256 4.995 4.740 -0.003 0.000 0.242 458 N C 0.005 175.498 175.510 -0.029 0.000 1.398 458 N CA -0.229 52.775 53.050 -0.077 0.000 0.755 458 N CB -0.249 38.194 38.487 -0.073 0.000 1.268 458 N HN 0.846 nan 8.380 nan 0.000 0.522 459 N N 0.438 119.128 118.700 -0.016 0.000 2.519 459 N HA -0.047 4.691 4.740 -0.003 0.000 0.186 459 N C 0.862 176.483 175.510 0.186 0.000 1.062 459 N CA 0.648 53.801 53.050 0.171 0.000 0.910 459 N CB 0.055 38.792 38.487 0.418 0.000 0.958 459 N HN 0.439 nan 8.380 nan 0.000 0.445 460 F N 1.007 120.812 119.950 -0.240 0.000 2.269 460 F HA -0.155 4.370 4.527 -0.003 0.000 0.301 460 F C 2.276 178.009 175.800 -0.110 0.000 1.082 460 F CA 0.733 58.615 58.000 -0.196 0.000 1.360 460 F CB 0.213 39.048 39.000 -0.275 0.000 1.041 460 F HN 0.150 nan 8.300 nan 0.000 0.512 461 Q N -1.400 118.451 119.800 0.084 0.000 2.317 461 Q HA 0.001 4.339 4.340 -0.003 0.000 0.220 461 Q C 1.513 177.527 176.000 0.024 0.000 0.873 461 Q CA 1.061 56.865 55.803 0.001 0.000 0.936 461 Q CB 0.644 29.344 28.738 -0.064 0.000 1.105 461 Q HN 0.308 nan 8.270 nan 0.000 0.520 462 T N -3.703 110.911 114.554 0.100 0.000 3.040 462 T HA 0.275 4.624 4.350 -0.003 0.000 0.266 462 T C 0.711 175.539 174.700 0.214 0.000 1.005 462 T CA -0.344 61.854 62.100 0.164 0.000 0.906 462 T CB 0.614 69.608 68.868 0.208 0.000 1.082 462 T HN -0.184 nan 8.240 nan 0.000 0.531 463 S N 3.765 119.595 115.700 0.218 0.000 2.592 463 S HA 0.372 4.840 4.470 -0.003 0.000 0.271 463 S C 0.484 175.227 174.600 0.239 0.000 1.326 463 S CA -0.837 57.515 58.200 0.254 0.000 1.024 463 S CB 0.340 63.688 63.200 0.246 0.000 0.921 463 S HN 0.734 nan 8.310 nan 0.000 0.527 464 N N 2.032 120.842 118.700 0.184 0.000 2.482 464 N HA 0.010 4.749 4.740 -0.003 0.000 0.260 464 N C -0.079 175.457 175.510 0.044 0.000 1.236 464 N CA -0.205 52.849 53.050 0.007 0.000 0.938 464 N CB -0.291 37.940 38.487 -0.426 0.000 1.128 464 N HN 0.654 nan 8.380 nan 0.000 0.448 465 N N -0.978 117.728 118.700 0.010 0.000 2.714 465 N HA -0.244 4.495 4.740 -0.003 0.000 0.252 465 N C 0.596 176.156 175.510 0.083 0.000 1.014 465 N CA 0.766 53.852 53.050 0.060 0.000 0.735 465 N CB -1.049 37.488 38.487 0.084 0.000 0.924 465 N HN 0.708 nan 8.380 nan 0.000 0.540 466 A N -0.061 122.799 122.820 0.067 0.000 1.930 466 A HA -0.192 4.126 4.320 -0.003 0.000 0.217 466 A C 1.948 179.521 177.584 -0.018 0.000 1.175 466 A CA 1.835 53.899 52.037 0.045 0.000 0.627 466 A CB -0.377 18.645 19.000 0.038 0.000 0.815 466 A HN 0.695 nan 8.150 nan 0.000 0.443 467 Q N -0.581 119.212 119.800 -0.011 0.000 2.124 467 Q HA -0.143 4.196 4.340 -0.003 0.000 0.202 467 Q C 2.187 178.164 176.000 -0.040 0.000 0.977 467 Q CA 1.429 57.206 55.803 -0.042 0.000 0.850 467 Q CB -0.319 28.418 28.738 -0.003 0.000 0.901 467 Q HN 0.642 nan 8.270 nan 0.000 0.429 468 A N 0.582 123.410 122.820 0.014 0.000 1.902 468 A HA -0.186 4.132 4.320 -0.003 0.000 0.217 468 A C 1.946 179.530 177.584 -0.001 0.000 1.181 468 A CA 1.288 53.337 52.037 0.020 0.000 0.623 468 A CB -0.708 18.329 19.000 0.063 0.000 0.818 468 A HN 0.470 nan 8.150 nan 0.000 0.443 469 L N -0.035 121.195 121.223 0.012 0.000 1.976 469 L HA -0.152 4.187 4.340 -0.003 0.000 0.209 469 L C 2.523 179.349 176.870 -0.074 0.000 1.071 469 L CA 2.060 56.925 54.840 0.040 0.000 0.746 469 L CB -0.612 41.524 42.059 0.130 0.000 0.890 469 L HN 0.345 nan 8.230 nan 0.000 0.432 470 R N -0.293 120.024 120.500 -0.305 0.000 2.083 470 R HA -0.185 4.154 4.340 -0.003 0.000 0.237 470 R C 2.106 178.206 176.300 -0.332 0.000 1.137 470 R CA 1.906 57.600 56.100 -0.675 0.000 0.951 470 R CB -0.586 29.226 30.300 -0.813 0.000 0.851 470 R HN 0.580 nan 8.270 nan 0.000 0.434 471 E N 0.472 120.562 120.200 -0.185 0.000 2.110 471 E HA -0.180 4.168 4.350 -0.003 0.000 0.193 471 E C 2.035 178.603 176.600 -0.053 0.000 0.988 471 E CA 1.222 57.562 56.400 -0.100 0.000 0.804 471 E CB -0.104 29.559 29.700 -0.063 0.000 0.745 471 E HN 0.375 nan 8.360 nan 0.000 0.458 472 A N 1.431 124.233 122.820 -0.030 0.000 1.872 472 A HA -0.117 4.201 4.320 -0.003 0.000 0.214 472 A C 2.151 179.760 177.584 0.042 0.000 1.187 472 A CA 0.783 52.824 52.037 0.008 0.000 0.614 472 A CB -0.264 18.748 19.000 0.020 0.000 0.826 472 A HN 0.083 nan 8.150 nan 0.000 0.442 473 I N 0.081 120.703 120.570 0.087 0.000 2.361 473 I HA -0.194 3.975 4.170 -0.003 0.000 0.251 473 I C 2.345 178.553 176.117 0.151 0.000 1.133 473 I CA 1.146 62.567 61.300 0.202 0.000 1.413 473 I CB -1.291 36.986 38.000 0.462 0.000 1.073 473 I HN 0.280 nan 8.210 nan 0.000 0.424 474 L N -0.149 121.112 121.223 0.064 0.000 2.109 474 L HA -0.187 4.151 4.340 -0.003 0.000 0.207 474 L C 2.649 179.529 176.870 0.018 0.000 1.086 474 L CA 1.072 55.931 54.840 0.033 0.000 0.760 474 L CB -0.422 41.622 42.059 -0.024 0.000 0.910 474 L HN 0.277 nan 8.230 nan 0.000 0.437 475 Q N -0.355 119.452 119.800 0.012 0.000 2.049 475 Q HA -0.148 4.190 4.340 -0.003 0.000 0.198 475 Q C 2.326 178.338 176.000 0.020 0.000 0.971 475 Q CA 1.171 56.980 55.803 0.008 0.000 0.833 475 Q CB -0.046 28.693 28.738 0.000 0.000 0.896 475 Q HN 0.432 nan 8.270 nan 0.000 0.434 476 R N 0.031 120.550 120.500 0.032 0.000 2.148 476 R HA -0.060 4.279 4.340 -0.003 0.000 0.227 476 R C 2.476 178.818 176.300 0.070 0.000 1.103 476 R CA 1.230 57.351 56.100 0.036 0.000 0.983 476 R CB -0.222 30.097 30.300 0.033 0.000 0.874 476 R HN 0.110 nan 8.270 nan 0.000 0.451 477 S N 0.620 116.376 115.700 0.093 0.000 2.395 477 S HA -0.037 4.432 4.470 -0.003 0.000 0.225 477 S C 2.077 176.762 174.600 0.142 0.000 1.027 477 S CA 0.881 59.174 58.200 0.155 0.000 0.965 477 S CB 0.020 63.226 63.200 0.010 0.000 0.812 477 S HN 0.390 nan 8.310 nan 0.000 0.482 478 A N 1.377 124.223 122.820 0.044 0.000 2.019 478 A HA 0.047 4.366 4.320 -0.003 0.000 0.219 478 A C 2.051 179.652 177.584 0.028 0.000 1.164 478 A CA 1.314 53.361 52.037 0.017 0.000 0.644 478 A CB -0.697 18.304 19.000 0.002 0.000 0.805 478 A HN 0.646 nan 8.150 nan 0.000 0.449 479 I N -0.724 119.862 120.570 0.027 0.000 2.202 479 I HA -0.185 3.984 4.170 -0.003 0.000 0.242 479 I C 2.279 178.396 176.117 0.000 0.000 1.091 479 I CA 1.020 62.325 61.300 0.009 0.000 1.368 479 I CB -0.286 37.712 38.000 -0.002 0.000 1.058 479 I HN 0.144 nan 8.210 nan 0.000 0.410 480 V N 0.920 120.832 119.914 -0.004 0.000 2.427 480 V HA -0.260 3.859 4.120 -0.003 0.000 0.248 480 V C 2.389 178.452 176.094 -0.052 0.000 1.051 480 V CA 1.735 63.988 62.300 -0.079 0.000 1.048 480 V CB -0.666 30.995 31.823 -0.269 0.000 0.666 480 V HN 0.375 nan 8.190 nan 0.000 0.456 481 K N -0.208 120.211 120.400 0.031 0.000 2.057 481 K HA -0.246 4.073 4.320 -0.003 0.000 0.207 481 K C 2.299 178.936 176.600 0.061 0.000 1.049 481 K CA 1.731 58.062 56.287 0.072 0.000 0.931 481 K CB -0.201 32.321 32.500 0.036 0.000 0.714 481 K HN 0.493 nan 8.250 nan 0.000 0.440 482 Q N 0.537 120.359 119.800 0.036 0.000 2.084 482 Q HA -0.170 4.168 4.340 -0.003 0.000 0.202 482 Q C 1.976 177.987 176.000 0.019 0.000 0.978 482 Q CA 1.528 57.348 55.803 0.028 0.000 0.844 482 Q CB -0.073 28.675 28.738 0.016 0.000 0.898 482 Q HN 0.332 nan 8.270 nan 0.000 0.426 483 A N 0.702 123.527 122.820 0.008 0.000 1.855 483 A HA -0.183 4.136 4.320 -0.003 0.000 0.215 483 A C 2.093 179.682 177.584 0.008 0.000 1.191 483 A CA 1.582 53.620 52.037 0.001 0.000 0.613 483 A CB -0.600 18.393 19.000 -0.013 0.000 0.829 483 A HN 0.479 nan 8.150 nan 0.000 0.442 484 M N -0.943 118.666 119.600 0.015 0.000 2.108 484 M HA -0.251 4.227 4.480 -0.003 0.000 0.261 484 M C 2.511 178.831 176.300 0.032 0.000 1.066 484 M CA 2.103 57.421 55.300 0.030 0.000 1.107 484 M CB -0.369 32.264 32.600 0.056 0.000 1.356 484 M HN 0.673 nan 8.290 nan 0.000 0.406 485 Q N 0.785 120.608 119.800 0.037 0.000 2.119 485 Q HA -0.214 4.124 4.340 -0.003 0.000 0.201 485 Q C 1.962 177.970 176.000 0.013 0.000 0.972 485 Q CA 1.499 57.317 55.803 0.026 0.000 0.847 485 Q CB -0.007 28.751 28.738 0.033 0.000 0.903 485 Q HN 0.425 nan 8.270 nan 0.000 0.433 486 K N -0.407 120.000 120.400 0.012 0.000 2.148 486 K HA -0.043 4.275 4.320 -0.003 0.000 0.204 486 K C 0.947 177.549 176.600 0.003 0.000 1.050 486 K CA 1.054 57.344 56.287 0.006 0.000 0.942 486 K CB -0.017 32.486 32.500 0.004 0.000 0.724 486 K HN 0.200 nan 8.250 nan 0.000 0.446 487 A N 2.276 125.099 122.820 0.005 0.000 2.640 487 A HA 0.078 4.397 4.320 -0.003 0.000 0.282 487 A C -0.356 177.230 177.584 0.003 0.000 1.357 487 A CA -0.586 51.452 52.037 0.002 0.000 0.946 487 A CB -0.525 18.476 19.000 0.002 0.000 1.065 487 A HN 0.381 nan 8.150 nan 0.000 0.541 488 R N -0.465 120.036 120.500 0.002 0.000 2.446 488 R HA 0.401 4.739 4.340 -0.003 0.000 0.314 488 R C 0.780 177.077 176.300 -0.004 0.000 1.003 488 R CA 0.686 56.786 56.100 0.000 0.000 1.018 488 R CB -0.172 30.126 30.300 -0.004 0.000 0.945 488 R HN 0.715 nan 8.270 nan 0.000 0.419 489 G N 1.340 110.137 108.800 -0.005 0.000 2.211 489 G HA2 -0.217 3.741 3.960 -0.003 0.000 0.201 489 G HA3 -0.217 3.741 3.960 -0.003 0.000 0.201 489 G C 0.251 175.142 174.900 -0.015 0.000 0.997 489 G CA -0.196 44.897 45.100 -0.012 0.000 0.652 489 G HN 0.974 nan 8.290 nan 0.000 0.500 490 A N 0.692 123.506 122.820 -0.011 0.000 2.346 490 A HA 0.718 5.036 4.320 -0.003 0.000 0.252 490 A C 1.181 178.752 177.584 -0.022 0.000 1.089 490 A CA 1.164 53.192 52.037 -0.015 0.000 0.797 490 A CB 0.060 19.055 19.000 -0.009 0.000 1.047 490 A HN 1.764 nan 8.150 nan 0.000 0.494 491 T N -1.606 112.931 114.554 -0.029 0.000 2.788 491 T HA 0.275 4.623 4.350 -0.003 0.000 0.287 491 T C 1.179 175.859 174.700 -0.033 0.000 1.007 491 T CA 0.406 62.481 62.100 -0.041 0.000 1.005 491 T CB 0.346 69.189 68.868 -0.041 0.000 1.012 491 T HN 0.517 nan 8.240 nan 0.000 0.530 492 T N 0.994 115.522 114.554 -0.043 0.000 2.746 492 T HA -0.074 4.275 4.350 -0.003 0.000 0.267 492 T C 1.815 176.500 174.700 -0.024 0.000 1.039 492 T CA 1.695 63.790 62.100 -0.009 0.000 1.142 492 T CB -0.421 68.447 68.868 0.001 0.000 0.866 492 T HN 0.734 nan 8.240 nan 0.000 0.444 493 E N 1.338 121.514 120.200 -0.040 0.000 2.110 493 E HA -0.105 4.243 4.350 -0.003 0.000 0.193 493 E C 2.236 178.807 176.600 -0.048 0.000 0.988 493 E CA 1.076 57.444 56.400 -0.053 0.000 0.804 493 E CB -0.187 29.481 29.700 -0.053 0.000 0.745 493 E HN 0.599 nan 8.360 nan 0.000 0.458 494 E N -0.372 119.807 120.200 -0.036 0.000 2.107 494 E HA -0.124 4.224 4.350 -0.003 0.000 0.191 494 E C 1.880 178.465 176.600 -0.024 0.000 0.982 494 E CA 0.830 57.213 56.400 -0.028 0.000 0.809 494 E CB -0.083 29.604 29.700 -0.023 0.000 0.756 494 E HN 0.138 nan 8.360 nan 0.000 0.459 495 M N 0.800 120.388 119.600 -0.020 0.000 2.117 495 M HA -0.117 4.361 4.480 -0.003 0.000 0.262 495 M C 2.088 178.361 176.300 -0.045 0.000 1.065 495 M CA 1.235 56.526 55.300 -0.015 0.000 1.114 495 M CB -0.167 32.441 32.600 0.014 0.000 1.361 495 M HN -0.071 nan 8.290 nan 0.000 0.408 496 V N 0.672 120.546 119.914 -0.067 0.000 2.332 496 V HA -0.305 3.813 4.120 -0.003 0.000 0.248 496 V C 1.995 178.053 176.094 -0.059 0.000 1.055 496 V CA 2.169 64.404 62.300 -0.109 0.000 1.038 496 V CB -0.969 30.779 31.823 -0.125 0.000 0.651 496 V HN 0.438 nan 8.190 nan 0.000 0.450 497 D N -0.259 120.119 120.400 -0.036 0.000 2.123 497 D HA -0.101 4.537 4.640 -0.003 0.000 0.200 497 D C 2.202 178.521 176.300 0.032 0.000 0.976 497 D CA 1.151 55.156 54.000 0.008 0.000 0.831 497 D CB -0.179 40.615 40.800 -0.010 0.000 0.974 497 D HN 0.325 nan 8.370 nan 0.000 0.469 498 V N 1.462 121.376 119.914 0.001 0.000 2.332 498 V HA -0.221 3.898 4.120 -0.003 0.000 0.248 498 V C 2.501 178.588 176.094 -0.012 0.000 1.055 498 V CA 1.135 63.433 62.300 -0.003 0.000 1.038 498 V CB -0.290 31.527 31.823 -0.008 0.000 0.651 498 V HN 0.176 nan 8.190 nan 0.000 0.450 499 I N -1.350 119.202 120.570 -0.029 0.000 2.163 499 I HA -0.249 3.919 4.170 -0.003 0.000 0.240 499 I C 2.419 178.511 176.117 -0.042 0.000 1.081 499 I CA 1.886 63.153 61.300 -0.055 0.000 1.353 499 I CB -0.477 37.436 38.000 -0.144 0.000 1.054 499 I HN 0.324 nan 8.210 nan 0.000 0.407 500 Y N 1.962 122.192 120.300 -0.117 0.000 2.193 500 Y HA -0.347 4.201 4.550 -0.003 0.000 0.285 500 Y C 2.492 178.357 175.900 -0.058 0.000 1.166 500 Y CA 2.193 60.237 58.100 -0.093 0.000 1.181 500 Y CB -0.162 38.240 38.460 -0.096 0.000 0.976 500 Y HN 0.165 nan 8.280 nan 0.000 0.520 501 E N 0.311 120.496 120.200 -0.024 0.000 2.072 501 E HA -0.149 4.199 4.350 -0.003 0.000 0.191 501 E C 2.230 178.756 176.600 -0.123 0.000 0.985 501 E CA 1.397 57.757 56.400 -0.068 0.000 0.801 501 E CB -0.595 29.109 29.700 0.007 0.000 0.750 501 E HN 0.468 nan 8.360 nan 0.000 0.452 502 A N -0.119 122.644 122.820 -0.095 0.000 1.940 502 A HA -0.182 4.137 4.320 -0.003 0.000 0.219 502 A C 2.406 179.920 177.584 -0.117 0.000 1.176 502 A CA 2.410 54.397 52.037 -0.084 0.000 0.631 502 A CB -1.313 17.651 19.000 -0.059 0.000 0.814 502 A HN 0.475 nan 8.150 nan 0.000 0.446 503 T N -2.651 111.796 114.554 -0.178 0.000 3.118 503 T HA -0.012 4.336 4.350 -0.003 0.000 0.260 503 T C 1.422 175.978 174.700 -0.240 0.000 1.139 503 T CA 1.152 63.136 62.100 -0.195 0.000 1.085 503 T CB -0.215 68.526 68.868 -0.212 0.000 0.934 503 T HN 0.628 nan 8.240 nan 0.000 0.518 504 Q N 0.586 120.224 119.800 -0.270 0.000 2.392 504 Q HA 0.213 4.551 4.340 -0.003 0.000 0.203 504 Q C 0.651 176.578 176.000 -0.121 0.000 0.917 504 Q CA 0.207 55.878 55.803 -0.219 0.000 0.939 504 Q CB 0.285 28.889 28.738 -0.223 0.000 1.063 504 Q HN 0.494 nan 8.270 nan 0.000 0.516 505 N N -0.287 118.350 118.700 -0.104 0.000 2.535 505 N HA 0.143 4.882 4.740 -0.003 0.000 0.294 505 N C 0.230 175.707 175.510 -0.055 0.000 1.408 505 N CA 0.540 53.551 53.050 -0.066 0.000 0.927 505 N CB 1.604 40.059 38.487 -0.052 0.000 1.276 505 N HN 0.335 nan 8.380 nan 0.000 0.505 506 G N -0.317 108.446 108.800 -0.062 0.000 2.234 506 G HA2 -0.238 3.720 3.960 -0.003 0.000 0.235 506 G HA3 -0.238 3.720 3.960 -0.003 0.000 0.235 506 G C 0.561 175.435 174.900 -0.044 0.000 0.997 506 G CA -0.113 44.958 45.100 -0.048 0.000 0.623 506 G HN 0.559 nan 8.290 nan 0.000 0.514 507 G N -0.563 108.207 108.800 -0.050 0.000 2.634 507 G HA2 0.645 4.604 3.960 -0.003 0.000 0.255 507 G HA3 0.645 4.604 3.960 -0.003 0.000 0.255 507 G C -0.681 174.201 174.900 -0.030 0.000 1.205 507 G CA 0.309 45.391 45.100 -0.031 0.000 0.884 507 G HN 1.248 nan 8.290 nan 0.000 0.549 508 L N -0.392 120.845 121.223 0.022 0.000 2.493 508 L HA 0.599 4.937 4.340 -0.003 0.000 0.265 508 L C -1.432 175.529 176.870 0.151 0.000 0.954 508 L CA -0.880 53.987 54.840 0.045 0.000 0.844 508 L CB 1.949 44.023 42.059 0.025 0.000 1.302 508 L HN 0.486 nan 8.230 nan 0.000 0.405 509 F N 5.412 125.360 119.950 -0.004 0.000 2.411 509 F HA 0.699 5.225 4.527 -0.003 0.000 0.350 509 F C -0.621 175.294 175.800 0.191 0.000 1.114 509 F CA -0.257 57.773 58.000 0.049 0.000 1.135 509 F CB 1.108 40.086 39.000 -0.037 0.000 1.120 509 F HN 0.248 nan 8.300 nan 0.000 0.495 510 V N 5.202 125.046 119.914 -0.117 0.000 2.448 510 V HA 0.454 4.572 4.120 -0.003 0.000 0.295 510 V C -0.310 175.672 176.094 -0.188 0.000 1.025 510 V CA -0.541 61.716 62.300 -0.071 0.000 0.859 510 V CB 1.748 33.587 31.823 0.027 0.000 0.988 510 V HN 0.833 nan 8.190 nan 0.000 0.431 511 T N 2.939 117.493 114.554 -0.000 0.000 2.863 511 T HA 0.556 4.905 4.350 -0.003 0.000 0.285 511 T C -0.485 174.246 174.700 0.052 0.000 1.009 511 T CA -0.522 61.590 62.100 0.020 0.000 0.989 511 T CB 1.748 70.709 68.868 0.156 0.000 1.004 511 T HN 0.644 nan 8.240 nan 0.000 0.455 512 S N 2.207 117.885 115.700 -0.037 0.000 2.647 512 S HA 0.630 5.099 4.470 -0.003 0.000 0.300 512 S C -0.882 173.621 174.600 -0.162 0.000 1.129 512 S CA -0.771 57.411 58.200 -0.029 0.000 1.029 512 S CB 0.205 63.365 63.200 -0.067 0.000 1.007 512 S HN 0.585 nan 8.310 nan 0.000 0.484 513 I N 5.605 126.054 120.570 -0.202 0.000 2.337 513 I HA 0.445 4.613 4.170 -0.003 0.000 0.285 513 I C 0.277 176.333 176.117 -0.101 0.000 1.041 513 I CA -0.519 60.584 61.300 -0.328 0.000 1.199 513 I CB 0.748 38.212 38.000 -0.894 0.000 1.370 513 I HN 0.579 nan 8.210 nan 0.000 0.470 514 N N 4.699 123.340 118.700 -0.099 0.000 3.316 514 N HA 0.478 5.216 4.740 -0.003 0.000 0.300 514 N C 0.157 175.587 175.510 -0.132 0.000 1.567 514 N CA -0.572 52.438 53.050 -0.067 0.000 0.821 514 N CB 2.107 40.553 38.487 -0.068 0.000 1.748 514 N HN 0.360 nan 8.380 nan 0.000 0.603 515 L N -0.129 120.984 121.223 -0.184 0.000 2.408 515 L HA 0.270 4.609 4.340 -0.003 0.000 0.215 515 L C -0.155 176.373 176.870 -0.569 0.000 1.081 515 L CA 0.506 55.106 54.840 -0.398 0.000 0.840 515 L CB 0.062 41.837 42.059 -0.473 0.000 1.002 515 L HN 0.445 nan 8.230 nan 0.000 0.468 516 Y N -2.038 118.223 120.300 -0.065 0.000 2.638 516 Y HA 0.317 4.866 4.550 -0.003 0.000 0.339 516 Y C -1.824 174.002 175.900 -0.123 0.000 1.084 516 Y CA -1.833 56.243 58.100 -0.041 0.000 1.068 516 Y CB 0.550 39.068 38.460 0.098 0.000 1.294 516 Y HN -0.321 nan 8.280 nan 0.000 0.480 517 P HA -0.104 nan 4.420 nan 0.000 0.215 517 P C 0.166 177.384 177.300 -0.136 0.000 1.157 517 P CA 2.468 65.462 63.100 -0.177 0.000 0.863 517 P CB -0.014 31.560 31.700 -0.209 0.000 0.787 518 T N -3.001 111.526 114.554 -0.044 0.000 0.541 518 T HA -0.292 4.057 4.350 -0.003 0.000 0.774 518 T C 0.998 175.634 174.700 -0.108 0.000 0.992 518 T CA 0.968 63.020 62.100 -0.080 0.000 4.077 518 T CB -1.240 67.574 68.868 -0.090 0.000 2.303 518 T HN 0.222 nan 8.240 nan 0.000 0.398 519 K N 0.090 120.431 120.400 -0.099 0.000 2.280 519 K HA 0.058 4.377 4.320 -0.003 0.000 0.202 519 K C 2.362 178.919 176.600 -0.072 0.000 1.047 519 K CA 1.638 57.904 56.287 -0.034 0.000 0.942 519 K CB -0.436 32.081 32.500 0.029 0.000 0.739 519 K HN 0.596 nan 8.250 nan 0.000 0.457 520 L N 0.207 121.248 121.223 -0.304 0.000 2.187 520 L HA -0.159 4.180 4.340 -0.003 0.000 0.213 520 L C 2.354 179.046 176.870 -0.296 0.000 1.100 520 L CA 0.942 55.420 54.840 -0.603 0.000 0.765 520 L CB -0.562 41.116 42.059 -0.635 0.000 0.904 520 L HN 0.243 nan 8.230 nan 0.000 0.437 521 A N -0.221 122.496 122.820 -0.171 0.000 2.186 521 A HA -0.209 4.110 4.320 -0.003 0.000 0.219 521 A C 2.090 179.797 177.584 0.206 0.000 1.159 521 A CA 1.381 53.388 52.037 -0.049 0.000 0.680 521 A CB -0.392 18.484 19.000 -0.208 0.000 0.787 521 A HN 0.482 nan 8.150 nan 0.000 0.467 522 E N -1.186 119.076 120.200 0.104 0.000 2.274 522 E HA 0.059 4.408 4.350 -0.003 0.000 0.194 522 E C 1.663 178.298 176.600 0.057 0.000 0.996 522 E CA 0.754 57.235 56.400 0.136 0.000 0.840 522 E CB -0.023 29.770 29.700 0.155 0.000 0.772 522 E HN 0.650 nan 8.360 nan 0.000 0.491 523 A N 0.334 123.156 122.820 0.003 0.000 2.340 523 A HA 0.490 4.808 4.320 -0.003 0.000 0.213 523 A C 0.914 178.274 177.584 -0.372 0.000 1.299 523 A CA 0.129 52.092 52.037 -0.124 0.000 0.994 523 A CB 0.463 19.525 19.000 0.103 0.000 1.132 523 A HN 0.169 nan 8.150 nan 0.000 0.519 524 A N -0.328 122.361 122.820 -0.219 0.000 2.406 524 A HA 0.454 4.772 4.320 -0.003 0.000 0.243 524 A C 0.497 177.856 177.584 -0.375 0.000 1.082 524 A CA 0.559 52.459 52.037 -0.230 0.000 0.786 524 A CB -0.078 18.934 19.000 0.020 0.000 1.029 524 A HN 0.569 nan 8.150 nan 0.000 0.495 525 H N -0.790 118.203 119.070 -0.129 0.000 3.017 525 H HA 0.410 4.965 4.556 -0.003 0.000 0.255 525 H C -0.449 174.890 175.328 0.019 0.000 0.990 525 H CA 0.144 56.061 56.048 -0.218 0.000 1.205 525 H CB 0.647 30.128 29.762 -0.468 0.000 1.460 525 H HN 0.396 nan 8.280 nan 0.000 0.478 526 L N 0.984 122.296 121.223 0.148 0.000 2.455 526 L HA 0.540 4.879 4.340 -0.003 0.000 0.264 526 L C -1.859 175.048 176.870 0.062 0.000 0.968 526 L CA -0.635 54.316 54.840 0.186 0.000 0.827 526 L CB 1.905 44.063 42.059 0.164 0.000 1.317 526 L HN 0.012 nan 8.230 nan 0.000 0.407 527 M N 5.818 125.397 119.600 -0.035 0.000 2.386 527 M HA 0.527 5.005 4.480 -0.003 0.000 0.293 527 M C -1.554 174.568 176.300 -0.296 0.000 1.120 527 M CA -0.481 54.694 55.300 -0.208 0.000 0.909 527 M CB 2.337 34.735 32.600 -0.337 0.000 1.661 527 M HN 0.395 nan 8.290 nan 0.000 0.452 528 L N 4.415 125.435 121.223 -0.338 0.000 2.322 528 L HA 0.589 4.928 4.340 -0.003 0.000 0.281 528 L C -2.209 174.524 176.870 -0.228 0.000 1.014 528 L CA -1.937 52.658 54.840 -0.407 0.000 0.815 528 L CB 1.762 43.550 42.059 -0.451 0.000 1.247 528 L HN 0.349 nan 8.230 nan 0.000 0.421 529 P HA 0.182 nan 4.420 nan 0.000 0.276 529 P C -0.836 176.499 177.300 0.057 0.000 1.264 529 P CA -0.028 63.040 63.100 -0.054 0.000 0.769 529 P CB 1.491 33.168 31.700 -0.039 0.000 0.840 530 A N 3.867 126.675 122.820 -0.020 0.000 2.269 530 A HA 0.808 5.126 4.320 -0.003 0.000 0.327 530 A C -0.339 177.207 177.584 -0.063 0.000 1.112 530 A CA -0.656 51.394 52.037 0.021 0.000 0.865 530 A CB 1.149 20.183 19.000 0.057 0.000 1.227 530 A HN 0.571 nan 8.150 nan 0.000 0.498 531 A N 0.134 122.933 122.820 -0.036 0.000 2.355 531 A HA 0.742 5.060 4.320 -0.003 0.000 0.324 531 A C -0.225 177.345 177.584 -0.024 0.000 1.117 531 A CA -0.490 51.498 52.037 -0.083 0.000 0.785 531 A CB 0.475 19.448 19.000 -0.045 0.000 1.254 531 A HN 1.193 nan 8.150 nan 0.000 0.453 532 H N -0.443 118.586 119.070 -0.068 0.000 2.693 532 H HA 0.661 5.215 4.556 -0.002 0.000 0.348 532 H C -2.797 172.417 175.328 -0.191 0.000 1.222 532 H CA -2.710 53.252 56.048 -0.142 0.000 1.270 532 H CB 0.904 30.611 29.762 -0.091 0.000 1.798 532 H HN 0.301 nan 8.280 nan 0.000 0.592 533 P HA -0.035 nan 4.420 nan 0.000 0.262 533 P C 0.838 178.167 177.300 0.049 0.000 1.182 533 P CA 2.364 65.345 63.100 -0.198 0.000 0.761 533 P CB 0.629 32.101 31.700 -0.380 0.000 0.795 534 G N 2.948 111.761 108.800 0.021 0.000 2.397 534 G HA2 -0.246 3.713 3.960 -0.003 0.000 0.211 534 G HA3 -0.246 3.713 3.960 -0.003 0.000 0.211 534 G C 0.901 175.539 174.900 -0.436 0.000 1.077 534 G CA -0.109 44.915 45.100 -0.127 0.000 0.649 534 G HN 0.537 nan 8.290 nan 0.000 0.511 535 E N 0.543 120.650 120.200 -0.155 0.000 2.478 535 E HA 0.381 4.730 4.350 -0.003 0.000 0.194 535 E C 1.089 177.624 176.600 -0.110 0.000 1.045 535 E CA 0.977 57.281 56.400 -0.161 0.000 0.868 535 E CB 0.079 29.746 29.700 -0.056 0.000 0.885 535 E HN 0.780 nan 8.360 nan 0.000 0.505 536 M N -1.488 118.064 119.600 -0.080 0.000 2.682 536 M HA 0.419 4.897 4.480 -0.003 0.000 0.272 536 M C -1.556 174.709 176.300 -0.059 0.000 1.232 536 M CA -1.090 54.179 55.300 -0.051 0.000 0.849 536 M CB 1.583 34.168 32.600 -0.025 0.000 1.695 536 M HN -0.375 nan 8.290 nan 0.000 0.481 537 N N 1.523 120.197 118.700 -0.043 0.000 2.529 537 N HA 0.750 5.488 4.740 -0.003 0.000 0.278 537 N C -1.510 173.919 175.510 -0.136 0.000 1.146 537 N CA -0.176 52.808 53.050 -0.110 0.000 0.980 537 N CB 1.850 40.300 38.487 -0.062 0.000 1.124 537 N HN 0.749 nan 8.380 nan 0.000 0.458 538 L N 0.477 121.560 121.223 -0.234 0.000 2.549 538 L HA 0.393 4.731 4.340 -0.003 0.000 0.259 538 L C -0.754 175.961 176.870 -0.258 0.000 0.934 538 L CA -0.513 54.209 54.840 -0.196 0.000 0.865 538 L CB 2.060 44.031 42.059 -0.147 0.000 1.352 538 L HN 0.617 nan 8.230 nan 0.000 0.410 539 T N 0.161 114.594 114.554 -0.201 0.000 2.888 539 T HA 0.918 5.267 4.350 -0.003 0.000 0.284 539 T C -0.431 174.260 174.700 -0.015 0.000 1.017 539 T CA -0.618 61.394 62.100 -0.147 0.000 1.022 539 T CB 1.815 70.548 68.868 -0.226 0.000 1.013 539 T HN 0.621 nan 8.240 nan 0.000 0.465 540 S N 1.069 116.771 115.700 0.002 0.000 2.595 540 S HA 0.588 5.056 4.470 -0.003 0.000 0.270 540 S C -0.984 173.642 174.600 0.043 0.000 1.145 540 S CA -1.119 57.022 58.200 -0.099 0.000 0.825 540 S CB 1.417 64.542 63.200 -0.125 0.000 1.107 540 S HN 1.128 nan 8.310 nan 0.000 0.461 541 M N 1.170 120.797 119.600 0.045 0.000 2.716 541 M HA 0.758 5.236 4.480 -0.003 0.000 0.307 541 M C -0.545 175.767 176.300 0.020 0.000 1.223 541 M CA -0.770 54.577 55.300 0.078 0.000 0.871 541 M CB 1.448 34.158 32.600 0.183 0.000 1.739 541 M HN 0.685 nan 8.290 nan 0.000 0.475 542 N N 0.583 119.263 118.700 -0.033 0.000 2.823 542 N HA 0.447 5.185 4.740 -0.003 0.000 0.324 542 N C 0.898 176.353 175.510 -0.091 0.000 1.336 542 N CA -0.132 52.886 53.050 -0.052 0.000 0.861 542 N CB -0.561 37.871 38.487 -0.092 0.000 1.157 542 N HN 0.894 nan 8.380 nan 0.000 0.585 543 G N -1.356 107.403 108.800 -0.069 0.000 2.527 543 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.219 543 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.219 543 G C 0.403 175.195 174.900 -0.180 0.000 1.117 543 G CA 1.044 46.145 45.100 0.001 0.000 0.759 543 G HN 0.817 nan 8.290 nan 0.000 0.556 544 E N -0.982 118.904 120.200 -0.522 0.000 2.693 544 E HA 0.345 4.694 4.350 -0.003 0.000 0.214 544 E C 0.562 177.027 176.600 -0.225 0.000 0.990 544 E CA -0.795 55.357 56.400 -0.414 0.000 1.047 544 E CB 0.178 29.452 29.700 -0.709 0.000 1.039 544 E HN 0.265 nan 8.360 nan 0.000 0.475 545 R N 0.824 121.242 120.500 -0.137 0.000 3.656 545 R HA -0.181 4.157 4.340 -0.003 0.000 0.297 545 R C -0.182 176.102 176.300 -0.027 0.000 1.166 545 R CA 0.563 56.648 56.100 -0.026 0.000 0.799 545 R CB -2.045 28.256 30.300 0.002 0.000 1.285 545 R HN 0.234 nan 8.270 nan 0.000 0.477 546 R N 1.740 122.184 120.500 -0.093 0.000 2.196 546 R HA 0.348 4.687 4.340 -0.003 0.000 0.340 546 R C -0.101 176.192 176.300 -0.012 0.000 1.043 546 R CA -0.304 55.752 56.100 -0.074 0.000 0.883 546 R CB 0.565 30.776 30.300 -0.148 0.000 1.078 546 R HN 0.263 nan 8.270 nan 0.000 0.462 547 I N 4.612 125.202 120.570 0.033 0.000 2.342 547 I HA 0.342 4.511 4.170 -0.003 0.000 0.291 547 I C -0.729 175.381 176.117 -0.011 0.000 1.010 547 I CA -0.579 60.757 61.300 0.059 0.000 1.308 547 I CB 0.533 38.600 38.000 0.111 0.000 1.400 547 I HN 0.647 nan 8.210 nan 0.000 0.488 548 R N 5.466 125.942 120.500 -0.040 0.000 2.888 548 R HA 0.601 4.939 4.340 -0.003 0.000 0.266 548 R C -1.566 174.641 176.300 -0.155 0.000 1.020 548 R CA -0.725 55.323 56.100 -0.087 0.000 0.963 548 R CB 1.676 31.934 30.300 -0.070 0.000 1.197 548 R HN 0.568 nan 8.270 nan 0.000 0.481 549 L N 0.286 121.388 121.223 -0.202 0.000 2.287 549 L HA 0.565 4.903 4.340 -0.003 0.000 0.287 549 L C -0.984 175.749 176.870 -0.228 0.000 1.022 549 L CA 0.207 54.860 54.840 -0.311 0.000 0.814 549 L CB 1.842 43.644 42.059 -0.427 0.000 1.217 549 L HN 0.508 nan 8.230 nan 0.000 0.420 550 S N 4.049 119.620 115.700 -0.215 0.000 2.452 550 S HA 0.388 4.857 4.470 -0.003 0.000 0.284 550 S C -0.374 174.144 174.600 -0.136 0.000 1.171 550 S CA -0.577 57.546 58.200 -0.129 0.000 1.064 550 S CB 0.398 63.541 63.200 -0.095 0.000 0.967 550 S HN 0.669 nan 8.310 nan 0.000 0.484 551 E N 2.044 122.202 120.200 -0.070 0.000 2.313 551 E HA 0.200 4.549 4.350 -0.003 0.000 0.272 551 E C -0.086 176.539 176.600 0.042 0.000 1.038 551 E CA -0.657 55.717 56.400 -0.044 0.000 0.863 551 E CB 0.965 30.654 29.700 -0.019 0.000 1.060 551 E HN 0.397 nan 8.360 nan 0.000 0.402 552 K N 2.006 122.405 120.400 -0.002 0.000 2.270 552 K HA 0.103 4.422 4.320 -0.003 0.000 0.276 552 K C -0.296 176.322 176.600 0.030 0.000 1.023 552 K CA 0.011 56.272 56.287 -0.043 0.000 0.955 552 K CB 0.338 32.800 32.500 -0.064 0.000 0.975 552 K HN 0.607 nan 8.250 nan 0.000 0.471 553 F N 1.973 121.898 119.950 -0.042 0.000 2.975 553 F HA 0.260 4.785 4.527 -0.004 0.000 0.366 553 F C -0.472 175.275 175.800 -0.088 0.000 1.071 553 F CA -0.809 57.154 58.000 -0.063 0.000 1.102 553 F CB 0.072 39.041 39.000 -0.052 0.000 1.176 553 F HN 0.401 nan 8.300 nan 0.000 0.545 554 M N -0.426 118.783 119.600 -0.652 0.000 2.721 554 M HA 0.579 5.057 4.480 -0.003 0.000 0.271 554 M C -1.901 174.187 176.300 -0.354 0.000 1.259 554 M CA -0.843 54.188 55.300 -0.449 0.000 0.835 554 M CB 2.049 34.359 32.600 -0.484 0.000 1.689 554 M HN -0.237 nan 8.290 nan 0.000 0.470 555 D N 1.758 121.973 120.400 -0.309 0.000 2.264 555 D HA 0.555 5.193 4.640 -0.003 0.000 0.249 555 D C -2.482 173.659 176.300 -0.264 0.000 1.070 555 D CA -0.887 52.885 54.000 -0.380 0.000 0.912 555 D CB 1.140 41.416 40.800 -0.872 0.000 1.193 555 D HN 0.344 nan 8.370 nan 0.000 0.427 556 P HA 0.205 nan 4.420 nan 0.000 0.274 556 P C -2.504 174.751 177.300 -0.075 0.000 1.256 556 P CA -1.128 61.907 63.100 -0.108 0.000 0.795 556 P CB -0.101 31.562 31.700 -0.062 0.000 1.038 557 P HA 0.079 nan 4.420 nan 0.000 0.279 557 P C 0.737 177.947 177.300 -0.150 0.000 1.239 557 P CA 0.481 63.307 63.100 -0.457 0.000 0.789 557 P CB 0.454 31.331 31.700 -1.371 0.000 0.933 558 G N 3.724 112.516 108.800 -0.013 0.000 2.685 558 G HA2 -0.341 3.618 3.960 -0.003 0.000 0.329 558 G HA3 -0.341 3.618 3.960 -0.003 0.000 0.329 558 G C 0.720 175.633 174.900 0.022 0.000 1.271 558 G CA 1.331 46.427 45.100 -0.007 0.000 1.003 558 G HN 0.740 nan 8.290 nan 0.000 0.549 559 T N -1.068 113.528 114.554 0.070 0.000 3.214 559 T HA 0.707 5.056 4.350 -0.003 0.000 0.264 559 T C 0.836 175.677 174.700 0.236 0.000 1.012 559 T CA 1.152 63.347 62.100 0.159 0.000 0.901 559 T CB 0.262 69.323 68.868 0.321 0.000 1.070 559 T HN 1.845 nan 8.240 nan 0.000 0.561 560 A N 2.578 125.475 122.820 0.128 0.000 2.466 560 A HA 0.676 4.995 4.320 -0.003 0.000 0.238 560 A C 0.323 177.947 177.584 0.066 0.000 1.074 560 A CA -0.472 51.631 52.037 0.111 0.000 0.774 560 A CB -0.097 18.880 19.000 -0.038 0.000 1.015 560 A HN 0.844 nan 8.150 nan 0.000 0.498 561 M N 0.234 119.877 119.600 0.072 0.000 2.622 561 M HA 0.744 5.222 4.480 -0.003 0.000 0.276 561 M C -0.194 176.141 176.300 0.059 0.000 1.265 561 M CA -0.674 54.635 55.300 0.015 0.000 0.850 561 M CB 1.723 34.268 32.600 -0.091 0.000 1.720 561 M HN 0.993 nan 8.290 nan 0.000 0.465 562 A N 1.005 123.858 122.820 0.056 0.000 2.561 562 A HA 0.088 4.406 4.320 -0.003 0.000 0.234 562 A C 0.566 178.259 177.584 0.182 0.000 1.055 562 A CA 0.280 52.370 52.037 0.089 0.000 0.756 562 A CB -0.248 18.798 19.000 0.076 0.000 0.986 562 A HN 0.960 nan 8.150 nan 0.000 0.505 563 D N 1.184 121.725 120.400 0.235 0.000 2.182 563 D HA -0.191 4.448 4.640 -0.003 0.000 0.201 563 D C 2.076 178.643 176.300 0.446 0.000 0.986 563 D CA 2.067 56.340 54.000 0.455 0.000 0.847 563 D CB -0.364 40.730 40.800 0.490 0.000 0.942 563 D HN 0.839 nan 8.370 nan 0.000 0.467 564 C N 0.254 119.738 119.300 0.307 0.000 2.425 564 C HA 0.011 4.469 4.460 -0.003 0.000 0.277 564 C C 2.731 178.018 174.990 0.495 0.000 1.280 564 C CA -0.105 59.132 59.018 0.366 0.000 1.744 564 C CB -1.496 26.387 27.740 0.238 0.000 1.989 564 C HN 0.216 nan 8.230 nan 0.000 0.491 565 L N 0.384 121.820 121.223 0.355 0.000 2.395 565 L HA 0.127 4.465 4.340 -0.003 0.000 0.218 565 L C 2.643 179.634 176.870 0.201 0.000 1.130 565 L CA 0.836 55.858 54.840 0.303 0.000 0.826 565 L CB -0.427 41.727 42.059 0.159 0.000 0.941 565 L HN 0.338 nan 8.230 nan 0.000 0.451 566 I N -0.030 120.697 120.570 0.262 0.000 2.500 566 I HA -0.148 4.020 4.170 -0.003 0.000 0.252 566 I C 2.741 179.061 176.117 0.339 0.000 1.142 566 I CA 0.811 62.254 61.300 0.239 0.000 1.451 566 I CB -0.255 37.961 38.000 0.358 0.000 1.093 566 I HN 0.166 nan 8.210 nan 0.000 0.430 567 A N 0.918 124.039 122.820 0.502 0.000 1.930 567 A HA -0.104 4.214 4.320 -0.003 0.000 0.217 567 A C 2.509 180.187 177.584 0.157 0.000 1.175 567 A CA 1.721 54.031 52.037 0.454 0.000 0.627 567 A CB -0.583 18.674 19.000 0.429 0.000 0.815 567 A HN 0.409 nan 8.150 nan 0.000 0.443 568 A N -0.505 122.460 122.820 0.242 0.000 1.968 568 A HA -0.050 4.268 4.320 -0.003 0.000 0.217 568 A C 2.154 179.731 177.584 -0.012 0.000 1.169 568 A CA 1.785 53.884 52.037 0.103 0.000 0.638 568 A CB -0.365 18.778 19.000 0.238 0.000 0.812 568 A HN 0.427 nan 8.150 nan 0.000 0.446 569 R N 0.221 120.739 120.500 0.029 0.000 2.075 569 R HA 0.017 4.356 4.340 -0.003 0.000 0.232 569 R C 1.746 178.059 176.300 0.022 0.000 1.126 569 R CA 1.638 57.735 56.100 -0.005 0.000 0.963 569 R CB -0.610 29.653 30.300 -0.062 0.000 0.858 569 R HN 0.574 nan 8.270 nan 0.000 0.435 570 I N -0.114 120.491 120.570 0.058 0.000 2.202 570 I HA -0.206 3.963 4.170 -0.003 0.000 0.242 570 I C 2.299 178.361 176.117 -0.091 0.000 1.091 570 I CA 1.272 62.620 61.300 0.080 0.000 1.368 570 I CB -0.448 37.686 38.000 0.223 0.000 1.058 570 I HN 0.268 nan 8.210 nan 0.000 0.410 571 A N 1.074 123.752 122.820 -0.238 0.000 1.877 571 A HA -0.210 4.108 4.320 -0.003 0.000 0.216 571 A C 2.047 179.475 177.584 -0.259 0.000 1.186 571 A CA 1.894 53.704 52.037 -0.379 0.000 0.620 571 A CB -0.696 17.637 19.000 -1.113 0.000 0.822 571 A HN 0.417 nan 8.150 nan 0.000 0.443 572 N N 0.216 118.810 118.700 -0.176 0.000 2.309 572 N HA -0.046 4.693 4.740 -0.003 0.000 0.182 572 N C 1.713 177.168 175.510 -0.091 0.000 1.018 572 N CA 1.272 54.271 53.050 -0.084 0.000 0.876 572 N CB -0.377 38.085 38.487 -0.041 0.000 0.972 572 N HN 0.503 nan 8.380 nan 0.000 0.434 573 A N 0.560 123.314 122.820 -0.110 0.000 1.970 573 A HA 0.086 4.405 4.320 -0.003 0.000 0.216 573 A C 2.293 179.757 177.584 -0.201 0.000 1.170 573 A CA 0.463 52.440 52.037 -0.101 0.000 0.645 573 A CB -0.325 18.652 19.000 -0.038 0.000 0.816 573 A HN 0.154 nan 8.150 nan 0.000 0.447 574 L N -1.217 119.799 121.223 -0.345 0.000 2.179 574 L HA -0.030 4.308 4.340 -0.003 0.000 0.208 574 L C 2.702 179.329 176.870 -0.405 0.000 1.096 574 L CA 1.155 55.642 54.840 -0.589 0.000 0.779 574 L CB -0.287 41.046 42.059 -1.210 0.000 0.922 574 L HN 0.440 nan 8.230 nan 0.000 0.443 575 R N 0.058 120.425 120.500 -0.223 0.000 2.092 575 R HA -0.194 4.144 4.340 -0.003 0.000 0.231 575 R C 2.017 178.338 176.300 0.036 0.000 1.119 575 R CA 1.664 57.796 56.100 0.054 0.000 0.970 575 R CB -0.185 30.182 30.300 0.113 0.000 0.864 575 R HN 0.345 nan 8.270 nan 0.000 0.440 576 D N -0.018 120.359 120.400 -0.037 0.000 2.149 576 D HA -0.140 4.499 4.640 -0.003 0.000 0.201 576 D C 1.848 178.113 176.300 -0.059 0.000 0.972 576 D CA 0.936 54.918 54.000 -0.030 0.000 0.835 576 D CB 0.154 40.931 40.800 -0.038 0.000 0.966 576 D HN 0.313 nan 8.370 nan 0.000 0.476 577 M N -0.462 119.053 119.600 -0.142 0.000 2.132 577 M HA -0.182 4.297 4.480 -0.003 0.000 0.263 577 M C 2.049 178.232 176.300 -0.196 0.000 1.065 577 M CA 1.154 56.324 55.300 -0.217 0.000 1.122 577 M CB -0.275 32.102 32.600 -0.370 0.000 1.365 577 M HN 0.085 nan 8.290 nan 0.000 0.411 578 Y N 0.663 120.922 120.300 -0.068 0.000 2.263 578 Y HA -0.184 4.364 4.550 -0.003 0.000 0.292 578 Y C 2.508 178.403 175.900 -0.009 0.000 1.130 578 Y CA 1.262 59.347 58.100 -0.026 0.000 1.179 578 Y CB -0.662 37.810 38.460 0.019 0.000 0.998 578 Y HN 0.293 nan 8.280 nan 0.000 0.532 579 Q N 0.125 120.012 119.800 0.144 0.000 2.050 579 Q HA -0.198 4.140 4.340 -0.003 0.000 0.202 579 Q C 1.751 177.781 176.000 0.050 0.000 0.980 579 Q CA 1.519 57.374 55.803 0.085 0.000 0.840 579 Q CB -0.200 28.573 28.738 0.059 0.000 0.898 579 Q HN 0.401 nan 8.270 nan 0.000 0.424 580 K N 0.293 120.706 120.400 0.021 0.000 2.555 580 K HA -0.093 4.226 4.320 -0.003 0.000 0.193 580 K C 0.380 176.979 176.600 -0.001 0.000 1.032 580 K CA 0.656 56.943 56.287 0.000 0.000 1.004 580 K CB 0.222 32.708 32.500 -0.023 0.000 0.804 580 K HN 0.083 nan 8.250 nan 0.000 0.496 581 D N -0.610 119.803 120.400 0.022 0.000 2.469 581 D HA 0.089 4.727 4.640 -0.003 0.000 0.215 581 D C 0.399 176.730 176.300 0.052 0.000 1.154 581 D CA 0.231 54.246 54.000 0.026 0.000 0.832 581 D CB 0.597 41.411 40.800 0.024 0.000 1.008 581 D HN 0.189 nan 8.370 nan 0.000 0.506 582 G N 1.831 110.662 108.800 0.052 0.000 2.273 582 G HA2 -0.314 3.645 3.960 -0.003 0.000 0.280 582 G HA3 -0.314 3.645 3.960 -0.003 0.000 0.280 582 G C 0.128 175.060 174.900 0.053 0.000 1.047 582 G CA 0.184 45.310 45.100 0.044 0.000 0.869 582 G HN 0.377 nan 8.290 nan 0.000 0.502 583 K N -0.106 120.346 120.400 0.087 0.000 2.602 583 K HA 0.595 4.913 4.320 -0.003 0.000 0.201 583 K C 1.606 178.220 176.600 0.023 0.000 1.070 583 K CA 0.017 56.339 56.287 0.057 0.000 1.026 583 K CB 0.887 33.450 32.500 0.105 0.000 1.534 583 K HN 0.304 nan 8.250 nan 0.000 0.560 584 A N 1.599 124.429 122.820 0.016 0.000 1.948 584 A HA -0.238 4.081 4.320 -0.003 0.000 0.220 584 A C 1.743 179.315 177.584 -0.021 0.000 1.177 584 A CA 1.683 53.726 52.037 0.010 0.000 0.636 584 A CB -0.127 18.878 19.000 0.008 0.000 0.815 584 A HN 0.500 nan 8.150 nan 0.000 0.449 585 E N -0.643 119.526 120.200 -0.051 0.000 2.051 585 E HA -0.159 4.190 4.350 -0.003 0.000 0.192 585 E C 2.122 178.642 176.600 -0.132 0.000 0.991 585 E CA 1.431 57.783 56.400 -0.079 0.000 0.799 585 E CB -0.344 29.307 29.700 -0.081 0.000 0.748 585 E HN 0.482 nan 8.360 nan 0.000 0.449 586 M N 0.125 119.587 119.600 -0.230 0.000 2.086 586 M HA -0.052 4.427 4.480 -0.003 0.000 0.261 586 M C 2.343 178.544 176.300 -0.165 0.000 1.067 586 M CA 1.660 56.711 55.300 -0.416 0.000 1.116 586 M CB -1.261 30.663 32.600 -1.127 0.000 1.348 586 M HN 0.191 nan 8.290 nan 0.000 0.407 587 A N 0.309 123.119 122.820 -0.017 0.000 1.917 587 A HA -0.101 4.218 4.320 -0.003 0.000 0.219 587 A C 2.362 180.038 177.584 0.154 0.000 1.182 587 A CA 2.340 54.502 52.037 0.208 0.000 0.633 587 A CB -1.003 18.096 19.000 0.166 0.000 0.819 587 A HN 0.526 nan 8.150 nan 0.000 0.448 588 A N -1.066 121.777 122.820 0.038 0.000 2.125 588 A HA -0.174 4.144 4.320 -0.003 0.000 0.219 588 A C 2.012 179.572 177.584 -0.039 0.000 1.156 588 A CA 1.504 53.546 52.037 0.009 0.000 0.671 588 A CB -0.459 18.530 19.000 -0.018 0.000 0.794 588 A HN 0.703 nan 8.150 nan 0.000 0.459 589 Q N -1.793 117.928 119.800 -0.132 0.000 2.297 589 Q HA -0.011 4.328 4.340 -0.003 0.000 0.204 589 Q C 0.236 175.970 176.000 -0.444 0.000 0.962 589 Q CA 0.827 56.426 55.803 -0.339 0.000 0.879 589 Q CB -0.033 28.371 28.738 -0.557 0.000 0.947 589 Q HN 0.766 nan 8.270 nan 0.000 0.462 590 F N 0.863 120.823 119.950 0.017 0.000 2.660 590 F HA 0.215 4.741 4.527 -0.003 0.000 0.297 590 F C 0.411 176.261 175.800 0.084 0.000 1.132 590 F CA -0.175 57.831 58.000 0.011 0.000 1.372 590 F CB 0.290 39.272 39.000 -0.030 0.000 1.003 590 F HN -0.108 nan 8.300 nan 0.000 0.524 591 E N -0.491 119.822 120.200 0.190 0.000 2.312 591 E HA 0.489 4.837 4.350 -0.003 0.000 0.259 591 E C 1.096 177.798 176.600 0.170 0.000 1.122 591 E CA 0.261 56.755 56.400 0.156 0.000 0.922 591 E CB 0.783 30.529 29.700 0.078 0.000 1.109 591 E HN 0.258 nan 8.360 nan 0.000 0.442 592 G N 0.734 109.564 108.800 0.051 0.000 2.132 592 G HA2 -0.255 3.703 3.960 -0.003 0.000 0.234 592 G HA3 -0.255 3.703 3.960 -0.003 0.000 0.234 592 G C 0.026 174.596 174.900 -0.551 0.000 0.989 592 G CA -0.197 44.830 45.100 -0.123 0.000 0.676 592 G HN 0.393 nan 8.290 nan 0.000 0.522 593 F N 0.882 120.537 119.950 -0.491 0.000 2.850 593 F HA 0.351 4.877 4.527 -0.001 0.000 0.329 593 F C 0.680 176.061 175.800 -0.697 0.000 1.182 593 F CA -0.955 56.436 58.000 -1.016 0.000 1.270 593 F CB 0.959 39.540 39.000 -0.699 0.000 0.979 593 F HN 0.082 nan 8.300 nan 0.000 0.506 594 D N 1.052 121.283 120.400 -0.283 0.000 2.619 594 D HA 0.003 4.642 4.640 -0.003 0.000 0.224 594 D C -0.841 175.568 176.300 0.182 0.000 1.133 594 D CA 0.075 54.066 54.000 -0.016 0.000 1.017 594 D CB -0.046 40.781 40.800 0.045 0.000 1.077 594 D HN 0.007 nan 8.370 nan 0.000 0.503 595 W N 2.322 123.678 121.300 0.094 0.000 2.520 595 W HA 0.341 5.001 4.660 0.000 0.000 0.323 595 W C 0.944 177.492 176.519 0.048 0.000 1.062 595 W CA -0.975 56.411 57.345 0.068 0.000 1.215 595 W CB 1.307 30.822 29.460 0.091 0.000 1.340 595 W HN 0.025 nan 8.180 nan 0.000 0.516 596 K N 0.992 121.538 120.400 0.244 0.000 2.313 596 K HA 0.103 4.421 4.320 -0.003 0.000 0.197 596 K C 0.832 177.490 176.600 0.097 0.000 1.061 596 K CA 0.749 57.115 56.287 0.132 0.000 0.980 596 K CB 0.150 32.700 32.500 0.084 0.000 0.888 596 K HN 0.534 nan 8.250 nan 0.000 0.502 597 T N -1.197 113.404 114.554 0.078 0.000 2.883 597 T HA 0.202 4.550 4.350 -0.003 0.000 0.301 597 T C 0.876 175.573 174.700 -0.005 0.000 1.158 597 T CA -0.764 61.358 62.100 0.037 0.000 1.007 597 T CB 2.261 71.135 68.868 0.010 0.000 1.186 597 T HN 0.014 nan 8.240 nan 0.000 0.499 598 E N 1.031 121.240 120.200 0.014 0.000 2.219 598 E HA -0.292 4.056 4.350 -0.003 0.000 0.198 598 E C 1.346 177.912 176.600 -0.058 0.000 0.998 598 E CA 1.733 58.133 56.400 -0.001 0.000 0.818 598 E CB -0.341 29.396 29.700 0.061 0.000 0.741 598 E HN 0.928 nan 8.360 nan 0.000 0.477 599 E N 1.044 121.175 120.200 -0.115 0.000 2.153 599 E HA -0.186 4.163 4.350 -0.003 0.000 0.194 599 E C 1.365 177.780 176.600 -0.309 0.000 0.988 599 E CA 1.186 57.348 56.400 -0.397 0.000 0.811 599 E CB 0.083 29.382 29.700 -0.668 0.000 0.746 599 E HN 0.174 nan 8.360 nan 0.000 0.466 600 D N 0.195 120.417 120.400 -0.297 0.000 2.117 600 D HA -0.160 4.478 4.640 -0.003 0.000 0.197 600 D C 1.791 177.677 176.300 -0.691 0.000 0.987 600 D CA 1.371 55.138 54.000 -0.389 0.000 0.829 600 D CB -0.247 40.370 40.800 -0.306 0.000 0.961 600 D HN 0.310 nan 8.370 nan 0.000 0.460 601 A N 0.034 122.327 122.820 -0.877 0.000 1.969 601 A HA -0.130 4.188 4.320 -0.003 0.000 0.218 601 A C 2.054 179.443 177.584 -0.326 0.000 1.169 601 A CA 0.706 52.188 52.037 -0.924 0.000 0.635 601 A CB -0.849 17.717 19.000 -0.723 0.000 0.810 601 A HN 0.276 nan 8.150 nan 0.000 0.445 602 F N 0.796 120.554 119.950 -0.321 0.000 2.206 602 F HA -0.116 4.406 4.527 -0.008 0.000 0.298 602 F C 2.084 177.745 175.800 -0.231 0.000 1.090 602 F CA 1.564 59.449 58.000 -0.193 0.000 1.323 602 F CB -0.004 38.932 39.000 -0.107 0.000 1.028 602 F HN 0.185 nan 8.300 nan 0.000 0.492 603 N N 0.457 118.999 118.700 -0.263 0.000 2.188 603 N HA -0.183 4.556 4.740 -0.003 0.000 0.184 603 N C 1.339 176.650 175.510 -0.332 0.000 1.018 603 N CA 1.597 54.470 53.050 -0.294 0.000 0.858 603 N CB -0.537 37.836 38.487 -0.190 0.000 0.989 603 N HN 0.371 nan 8.380 nan 0.000 0.426 604 D N -0.400 119.805 120.400 -0.325 0.000 2.234 604 D HA 0.007 4.645 4.640 -0.003 0.000 0.205 604 D C 1.547 177.427 176.300 -0.699 0.000 0.962 604 D CA 0.897 54.749 54.000 -0.248 0.000 0.855 604 D CB 0.009 40.895 40.800 0.144 0.000 0.951 604 D HN 0.263 nan 8.370 nan 0.000 0.500 605 G N -0.927 107.185 108.800 -1.146 0.000 2.598 605 G HA2 -0.039 3.920 3.960 -0.003 0.000 0.225 605 G HA3 -0.039 3.920 3.960 -0.003 0.000 0.225 605 G C 1.197 175.546 174.900 -0.917 0.000 1.631 605 G CA 0.080 44.095 45.100 -1.809 0.000 0.821 605 G HN 0.257 nan 8.290 nan 0.000 0.610 606 F N 1.974 121.438 119.950 -0.809 0.000 2.063 606 F HA -0.174 4.347 4.527 -0.009 0.000 0.298 606 F C 2.817 178.199 175.800 -0.696 0.000 1.105 606 F CA 2.195 59.757 58.000 -0.730 0.000 1.215 606 F CB 0.114 38.540 39.000 -0.958 0.000 0.972 606 F HN -0.017 nan 8.300 nan 0.000 0.483 607 R N -0.385 119.785 120.500 -0.549 0.000 2.316 607 R HA 0.005 4.343 4.340 -0.003 0.000 0.202 607 R C 2.031 178.143 176.300 -0.314 0.000 1.029 607 R CA 0.509 56.373 56.100 -0.393 0.000 1.018 607 R CB -0.182 29.907 30.300 -0.351 0.000 0.888 607 R HN 0.363 nan 8.270 nan 0.000 0.471 608 R N 0.528 120.794 120.500 -0.390 0.000 2.237 608 R HA 0.191 4.529 4.340 -0.003 0.000 0.195 608 R C 0.474 176.610 176.300 -0.273 0.000 0.956 608 R CA 0.138 56.057 56.100 -0.302 0.000 1.029 608 R CB 0.310 30.425 30.300 -0.309 0.000 0.972 608 R HN 0.029 nan 8.270 nan 0.000 0.493 609 A N 0.917 123.532 122.820 -0.342 0.000 2.600 609 A HA 0.163 4.482 4.320 -0.003 0.000 0.244 609 A C 1.234 178.715 177.584 -0.172 0.000 1.016 609 A CA 1.186 53.066 52.037 -0.263 0.000 0.778 609 A CB -0.550 18.252 19.000 -0.330 0.000 0.920 609 A HN 0.609 nan 8.150 nan 0.000 0.513 610 G N 1.188 109.919 108.800 -0.114 0.000 2.205 610 G HA2 -0.250 3.709 3.960 -0.003 0.000 0.269 610 G HA3 -0.250 3.709 3.960 -0.003 0.000 0.269 610 G C 0.289 175.137 174.900 -0.087 0.000 0.977 610 G CA 0.783 45.836 45.100 -0.078 0.000 0.652 610 G HN 0.936 nan 8.290 nan 0.000 0.539 611 Q N 0.647 120.378 119.800 -0.117 0.000 2.259 611 Q HA 0.369 4.707 4.340 -0.003 0.000 0.246 611 Q C -2.031 173.909 176.000 -0.101 0.000 0.920 611 Q CA -1.810 53.911 55.803 -0.136 0.000 0.895 611 Q CB 1.037 29.667 28.738 -0.180 0.000 1.220 611 Q HN 0.310 nan 8.270 nan 0.000 0.439 612 P HA -0.068 nan 4.420 nan 0.000 0.260 612 P C 0.487 177.753 177.300 -0.058 0.000 1.185 612 P CA 1.027 64.087 63.100 -0.067 0.000 0.763 612 P CB 0.234 31.894 31.700 -0.067 0.000 0.776 613 G N 2.075 110.850 108.800 -0.041 0.000 2.195 613 G HA2 -0.158 3.800 3.960 -0.003 0.000 0.246 613 G HA3 -0.158 3.800 3.960 -0.003 0.000 0.246 613 G C 0.352 175.237 174.900 -0.025 0.000 0.984 613 G CA 0.053 45.136 45.100 -0.030 0.000 0.633 613 G HN 0.897 nan 8.290 nan 0.000 0.525 614 A N 1.396 124.194 122.820 -0.037 0.000 2.371 614 A HA 0.735 5.053 4.320 -0.003 0.000 0.257 614 A C -0.465 177.118 177.584 -0.002 0.000 1.089 614 A CA -0.267 51.750 52.037 -0.033 0.000 0.794 614 A CB 0.389 19.343 19.000 -0.075 0.000 1.029 614 A HN 0.372 nan 8.150 nan 0.000 0.488 615 P HA 0.395 nan 4.420 nan 0.000 0.286 615 P C -0.198 177.143 177.300 0.069 0.000 1.293 615 P CA -0.244 62.893 63.100 0.062 0.000 0.770 615 P CB 0.487 32.253 31.700 0.111 0.000 1.206 616 A N 0.412 123.282 122.820 0.083 0.000 2.524 616 A HA 0.386 4.704 4.320 -0.003 0.000 0.250 616 A C 0.287 177.959 177.584 0.146 0.000 1.078 616 A CA 0.098 52.189 52.037 0.090 0.000 0.761 616 A CB -1.024 18.027 19.000 0.085 0.000 1.012 616 A HN 0.422 nan 8.150 nan 0.000 0.500 617 I N 2.575 123.210 120.570 0.109 0.000 2.512 617 I HA 0.225 4.393 4.170 -0.003 0.000 0.287 617 I C -1.102 175.090 176.117 0.125 0.000 1.069 617 I CA -0.627 60.752 61.300 0.131 0.000 1.056 617 I CB 2.284 40.257 38.000 -0.045 0.000 1.229 617 I HN 0.525 nan 8.210 nan 0.000 0.429 618 D N 4.950 125.486 120.400 0.226 0.000 2.443 618 D HA 0.251 4.889 4.640 -0.003 0.000 0.221 618 D C -0.549 175.928 176.300 0.295 0.000 1.097 618 D CA 0.214 54.375 54.000 0.269 0.000 0.865 618 D CB 1.949 42.991 40.800 0.404 0.000 1.034 618 D HN 0.321 nan 8.370 nan 0.000 0.511 619 S N 1.868 117.669 115.700 0.169 0.000 2.532 619 S HA 0.124 4.593 4.470 -0.003 0.000 0.299 619 S C 0.878 175.573 174.600 0.157 0.000 1.105 619 S CA -0.555 57.731 58.200 0.143 0.000 1.018 619 S CB 1.609 64.714 63.200 -0.159 0.000 1.021 619 S HN 0.248 nan 8.310 nan 0.000 0.483 620 Q N 2.735 122.751 119.800 0.360 0.000 2.437 620 Q HA 0.010 4.348 4.340 -0.003 0.000 0.210 620 Q C 1.747 177.851 176.000 0.172 0.000 0.972 620 Q CA 1.036 57.038 55.803 0.330 0.000 0.903 620 Q CB -0.097 28.953 28.738 0.519 0.000 0.967 620 Q HN 0.882 nan 8.270 nan 0.000 0.486 621 G N 0.095 108.840 108.800 -0.090 0.000 2.623 621 G HA2 0.260 4.218 3.960 -0.003 0.000 0.214 621 G HA3 0.260 4.218 3.960 -0.003 0.000 0.214 621 G C 0.715 175.368 174.900 -0.413 0.000 1.138 621 G CA 0.252 45.067 45.100 -0.475 0.000 0.794 621 G HN 0.501 nan 8.290 nan 0.000 0.535 622 G N -0.135 108.502 108.800 -0.272 0.000 2.697 622 G HA2 -0.126 3.833 3.960 -0.003 0.000 0.240 622 G HA3 -0.126 3.833 3.960 -0.003 0.000 0.240 622 G C 1.158 175.912 174.900 -0.242 0.000 1.346 622 G CA 0.746 45.737 45.100 -0.182 0.000 0.887 622 G HN 1.230 nan 8.290 nan 0.000 0.569 623 S N -1.636 113.980 115.700 -0.139 0.000 2.603 623 S HA 0.154 4.623 4.470 -0.003 0.000 0.220 623 S C 1.868 176.442 174.600 -0.044 0.000 0.967 623 S CA 1.700 59.844 58.200 -0.094 0.000 0.920 623 S CB -0.108 63.069 63.200 -0.038 0.000 0.773 623 S HN 1.999 nan 8.310 nan 0.000 0.529 624 T N -2.850 111.612 114.554 -0.153 0.000 3.069 624 T HA 0.362 4.710 4.350 -0.003 0.000 0.252 624 T C 1.795 176.224 174.700 -0.452 0.000 1.053 624 T CA 0.340 62.277 62.100 -0.272 0.000 0.964 624 T CB -0.053 68.707 68.868 -0.181 0.000 1.005 624 T HN 0.330 nan 8.240 nan 0.000 0.532 625 G N 2.318 110.852 108.800 -0.444 0.000 2.485 625 G HA2 -0.322 3.636 3.960 -0.003 0.000 0.221 625 G HA3 -0.322 3.636 3.960 -0.003 0.000 0.221 625 G C 1.268 175.998 174.900 -0.282 0.000 1.115 625 G CA 1.226 45.979 45.100 -0.578 0.000 0.751 625 G HN 0.902 nan 8.290 nan 0.000 0.567 626 H N -0.384 118.554 119.070 -0.220 0.000 2.489 626 H HA 0.145 4.704 4.556 0.004 0.000 0.293 626 H C 2.125 177.396 175.328 -0.095 0.000 1.066 626 H CA 0.795 56.748 56.048 -0.159 0.000 1.305 626 H CB -0.399 29.264 29.762 -0.165 0.000 1.386 626 H HN 0.335 nan 8.280 nan 0.000 0.551 627 L N 0.688 121.574 121.223 -0.562 0.000 2.362 627 L HA 0.029 4.367 4.340 -0.003 0.000 0.219 627 L C 0.175 176.940 176.870 -0.175 0.000 1.134 627 L CA -0.015 54.632 54.840 -0.322 0.000 0.807 627 L CB 0.119 42.009 42.059 -0.282 0.000 0.927 627 L HN 0.169 nan 8.230 nan 0.000 0.447 628 V N 0.171 120.068 119.914 -0.028 0.000 2.461 628 V HA 0.265 4.383 4.120 -0.003 0.000 0.275 628 V C 0.382 176.583 176.094 0.178 0.000 1.047 628 V CA -0.261 62.097 62.300 0.098 0.000 0.955 628 V CB 1.092 33.084 31.823 0.281 0.000 0.988 628 V HN 0.333 nan 8.190 nan 0.000 0.471 629 T N 0.831 115.442 114.554 0.095 0.000 2.901 629 T HA 0.462 4.811 4.350 -0.003 0.000 0.293 629 T C 0.632 175.412 174.700 0.134 0.000 1.084 629 T CA -0.572 61.616 62.100 0.146 0.000 1.008 629 T CB 1.150 70.006 68.868 -0.019 0.000 1.170 629 T HN 0.375 nan 8.240 nan 0.000 0.509 630 Y N 0.410 120.633 120.300 -0.128 0.000 2.165 630 Y HA -0.180 4.366 4.550 -0.005 0.000 0.286 630 Y C 2.238 178.067 175.900 -0.119 0.000 1.155 630 Y CA 1.085 59.068 58.100 -0.195 0.000 1.164 630 Y CB -0.028 38.325 38.460 -0.179 0.000 0.978 630 Y HN 0.652 nan 8.280 nan 0.000 0.513 631 D N -0.270 120.181 120.400 0.085 0.000 2.144 631 D HA -0.132 4.506 4.640 -0.003 0.000 0.199 631 D C 2.062 178.378 176.300 0.026 0.000 0.984 631 D CA 1.165 55.187 54.000 0.038 0.000 0.834 631 D CB -0.293 40.522 40.800 0.024 0.000 0.955 631 D HN 0.303 nan 8.370 nan 0.000 0.465 632 R N -0.063 120.441 120.500 0.006 0.000 2.115 632 R HA 0.049 4.388 4.340 -0.003 0.000 0.230 632 R C 2.405 178.728 176.300 0.038 0.000 1.111 632 R CA 0.447 56.568 56.100 0.036 0.000 0.976 632 R CB -0.133 30.132 30.300 -0.058 0.000 0.870 632 R HN 0.222 nan 8.270 nan 0.000 0.445 633 L N -0.091 121.122 121.223 -0.016 0.000 2.095 633 L HA -0.082 4.257 4.340 -0.003 0.000 0.204 633 L C 2.740 179.580 176.870 -0.050 0.000 1.080 633 L CA 1.011 55.820 54.840 -0.052 0.000 0.759 633 L CB -0.337 41.633 42.059 -0.147 0.000 0.914 633 L HN 0.152 nan 8.230 nan 0.000 0.439 634 R N 0.859 121.326 120.500 -0.055 0.000 2.091 634 R HA -0.238 4.101 4.340 -0.003 0.000 0.238 634 R C 2.316 178.615 176.300 -0.002 0.000 1.136 634 R CA 1.782 57.857 56.100 -0.041 0.000 0.959 634 R CB -0.094 30.187 30.300 -0.032 0.000 0.856 634 R HN 0.171 nan 8.270 nan 0.000 0.437 635 K N 0.189 120.603 120.400 0.023 0.000 2.283 635 K HA -0.067 4.251 4.320 -0.003 0.000 0.202 635 K C 1.688 178.313 176.600 0.041 0.000 1.048 635 K CA 1.525 57.838 56.287 0.043 0.000 0.948 635 K CB 0.054 32.600 32.500 0.077 0.000 0.742 635 K HN 0.289 nan 8.250 nan 0.000 0.458 636 S N -0.632 115.090 115.700 0.036 0.000 2.527 636 S HA 0.157 4.626 4.470 -0.003 0.000 0.222 636 S C 1.037 175.645 174.600 0.013 0.000 0.985 636 S CA 0.164 58.383 58.200 0.031 0.000 0.921 636 S CB -0.262 62.959 63.200 0.034 0.000 0.772 636 S HN 0.577 nan 8.310 nan 0.000 0.529 637 G N 2.495 111.298 108.800 0.006 0.000 2.645 637 G HA2 -0.301 3.658 3.960 -0.003 0.000 0.246 637 G HA3 -0.301 3.658 3.960 -0.003 0.000 0.246 637 G C 0.200 175.087 174.900 -0.021 0.000 1.322 637 G CA 0.023 45.125 45.100 0.004 0.000 0.898 637 G HN 0.336 nan 8.290 nan 0.000 0.573 638 N N 1.108 119.788 118.700 -0.033 0.000 2.573 638 N HA -0.056 4.682 4.740 -0.003 0.000 0.187 638 N C 1.685 177.171 175.510 -0.039 0.000 1.107 638 N CA 0.927 53.943 53.050 -0.057 0.000 0.918 638 N CB -0.206 38.218 38.487 -0.106 0.000 0.966 638 N HN 0.437 nan 8.380 nan 0.000 0.448 639 N N 0.466 119.152 118.700 -0.023 0.000 2.424 639 N HA 0.012 4.750 4.740 -0.003 0.000 0.178 639 N C 1.529 177.028 175.510 -0.018 0.000 1.060 639 N CA 0.576 53.617 53.050 -0.016 0.000 0.901 639 N CB 0.079 38.564 38.487 -0.004 0.000 0.979 639 N HN 0.198 nan 8.380 nan 0.000 0.451 640 G N 0.909 109.698 108.800 -0.018 0.000 2.684 640 G HA2 -0.321 3.637 3.960 -0.003 0.000 0.332 640 G HA3 -0.321 3.637 3.960 -0.003 0.000 0.332 640 G C -0.135 174.766 174.900 0.001 0.000 1.306 640 G CA 0.807 45.899 45.100 -0.014 0.000 1.002 640 G HN 0.513 nan 8.290 nan 0.000 0.545 641 V N -0.434 119.481 119.914 0.002 0.000 3.023 641 V HA 0.565 4.684 4.120 -0.003 0.000 0.294 641 V C -0.768 175.329 176.094 0.004 0.000 1.324 641 V CA -0.334 61.972 62.300 0.011 0.000 0.979 641 V CB 1.934 33.779 31.823 0.037 0.000 1.093 641 V HN 0.923 nan 8.190 nan 0.000 0.434 642 Q N 4.530 124.324 119.800 -0.009 0.000 2.295 642 Q HA 0.503 4.842 4.340 -0.003 0.000 0.259 642 Q C -0.630 175.371 176.000 0.003 0.000 0.976 642 Q CA -0.243 55.547 55.803 -0.021 0.000 0.923 642 Q CB 1.460 30.171 28.738 -0.045 0.000 1.185 642 Q HN 0.623 nan 8.270 nan 0.000 0.410 643 L N 5.557 126.796 121.223 0.025 0.000 2.452 643 L HA 0.305 4.643 4.340 -0.003 0.000 0.267 643 L C -1.863 175.011 176.870 0.006 0.000 1.188 643 L CA -1.701 53.163 54.840 0.040 0.000 0.821 643 L CB 0.164 42.283 42.059 0.099 0.000 1.102 643 L HN 0.409 nan 8.230 nan 0.000 0.470 644 P HA 0.139 nan 4.420 nan 0.000 0.281 644 P C -0.761 176.533 177.300 -0.009 0.000 1.249 644 P CA -0.425 62.670 63.100 -0.009 0.000 0.810 644 P CB 1.369 33.051 31.700 -0.029 0.000 1.008 645 V N 2.804 122.711 119.914 -0.011 0.000 2.637 645 V HA -0.026 4.092 4.120 -0.003 0.000 0.296 645 V C 1.749 177.833 176.094 -0.015 0.000 1.046 645 V CA 0.296 62.595 62.300 -0.002 0.000 1.066 645 V CB 0.955 32.776 31.823 -0.003 0.000 0.968 645 V HN 0.357 nan 8.190 nan 0.000 0.483 646 V N 2.997 122.914 119.914 0.004 0.000 3.263 646 V HA 0.173 4.291 4.120 -0.003 0.000 0.248 646 V C 0.692 176.799 176.094 0.022 0.000 1.145 646 V CA 1.202 63.504 62.300 0.004 0.000 1.107 646 V CB 0.384 32.209 31.823 0.003 0.000 0.797 646 V HN 1.045 nan 8.190 nan 0.000 0.467 647 S N -2.211 113.517 115.700 0.047 0.000 2.643 647 S HA 0.532 5.001 4.470 -0.003 0.000 0.266 647 S C -2.007 172.696 174.600 0.173 0.000 1.130 647 S CA -0.784 57.468 58.200 0.086 0.000 0.817 647 S CB 1.761 64.989 63.200 0.047 0.000 1.107 647 S HN 0.313 nan 8.310 nan 0.000 0.471 648 W N 1.267 122.558 121.300 -0.016 0.000 3.248 648 W HA 0.619 5.271 4.660 -0.013 0.000 0.311 648 W C -2.397 174.122 176.519 -0.001 0.000 1.258 648 W CA 0.033 57.373 57.345 -0.009 0.000 1.191 648 W CB 1.453 30.907 29.460 -0.010 0.000 1.389 648 W HN 1.267 nan 8.180 nan 0.000 0.561 649 D N 1.816 121.312 120.400 -1.508 0.000 2.728 649 D HA 0.147 4.785 4.640 -0.003 0.000 0.249 649 D C 0.237 175.584 176.300 -1.589 0.000 1.225 649 D CA -0.561 52.543 54.000 -1.493 0.000 0.748 649 D CB 1.095 41.552 40.800 -0.572 0.000 1.326 649 D HN 0.246 nan 8.370 nan 0.000 0.426 650 E N 0.350 119.922 120.200 -1.046 0.000 2.085 650 E HA -0.205 4.143 4.350 -0.003 0.000 0.194 650 E C 1.575 177.990 176.600 -0.308 0.000 0.994 650 E CA 1.537 57.653 56.400 -0.473 0.000 0.801 650 E CB -0.226 29.367 29.700 -0.178 0.000 0.743 650 E HN 0.466 nan 8.360 nan 0.000 0.453 651 S N 0.449 115.979 115.700 -0.284 0.000 2.354 651 S HA -0.155 4.313 4.470 -0.003 0.000 0.219 651 S C 1.747 176.244 174.600 -0.172 0.000 1.035 651 S CA 1.571 59.662 58.200 -0.181 0.000 1.037 651 S CB 0.051 63.161 63.200 -0.150 0.000 0.956 651 S HN 0.158 nan 8.310 nan 0.000 0.428 652 K N 0.398 120.669 120.400 -0.214 0.000 2.361 652 K HA 0.279 4.598 4.320 -0.003 0.000 0.196 652 K C 1.326 177.828 176.600 -0.163 0.000 1.039 652 K CA 0.405 56.596 56.287 -0.159 0.000 1.001 652 K CB -0.105 32.314 32.500 -0.136 0.000 0.795 652 K HN 0.553 nan 8.250 nan 0.000 0.495 653 G N 1.843 110.459 108.800 -0.306 0.000 2.525 653 G HA2 -0.300 3.659 3.960 -0.003 0.000 0.248 653 G HA3 -0.300 3.659 3.960 -0.003 0.000 0.248 653 G C -0.537 174.338 174.900 -0.041 0.000 1.238 653 G CA -0.660 44.325 45.100 -0.193 0.000 0.926 653 G HN 0.127 nan 8.290 nan 0.000 0.574 654 L N 0.394 121.759 121.223 0.238 0.000 2.361 654 L HA 0.474 4.813 4.340 -0.003 0.000 0.278 654 L C 0.411 177.340 176.870 0.097 0.000 1.113 654 L CA -0.620 54.368 54.840 0.248 0.000 0.849 654 L CB 1.111 43.303 42.059 0.222 0.000 1.155 654 L HN 0.415 nan 8.230 nan 0.000 0.452 655 V N 3.503 123.460 119.914 0.072 0.000 2.370 655 V HA 0.587 4.705 4.120 -0.003 0.000 0.283 655 V C 0.704 176.814 176.094 0.027 0.000 1.023 655 V CA -0.329 61.988 62.300 0.028 0.000 0.857 655 V CB 1.241 33.067 31.823 0.006 0.000 0.985 655 V HN 0.912 nan 8.190 nan 0.000 0.443 656 G N 3.460 112.268 108.800 0.015 0.000 2.890 656 G HA2 0.640 4.599 3.960 -0.003 0.000 0.189 656 G HA3 0.640 4.599 3.960 -0.003 0.000 0.189 656 G C -0.543 174.352 174.900 -0.008 0.000 1.342 656 G CA -0.413 44.691 45.100 0.006 0.000 1.026 656 G HN 0.553 nan 8.290 nan 0.000 0.579 657 T N 0.123 114.667 114.554 -0.017 0.000 2.841 657 T HA 0.374 4.722 4.350 -0.003 0.000 0.285 657 T C 0.498 175.176 174.700 -0.037 0.000 0.991 657 T CA -0.399 61.683 62.100 -0.030 0.000 0.966 657 T CB 2.432 71.275 68.868 -0.042 0.000 0.962 657 T HN 0.550 nan 8.240 nan 0.000 0.438 658 E N 2.273 122.453 120.200 -0.032 0.000 2.030 658 E HA 0.152 4.501 4.350 -0.003 0.000 0.189 658 E C 0.519 177.100 176.600 -0.032 0.000 0.974 658 E CA 0.560 56.944 56.400 -0.027 0.000 0.807 658 E CB 0.433 30.127 29.700 -0.009 0.000 0.771 658 E HN 0.476 nan 8.360 nan 0.000 0.451 659 M N 1.120 120.697 119.600 -0.038 0.000 2.457 659 M HA 0.347 4.825 4.480 -0.003 0.000 0.300 659 M C -1.694 174.530 176.300 -0.126 0.000 1.141 659 M CA -0.509 54.759 55.300 -0.052 0.000 0.901 659 M CB 1.717 34.315 32.600 -0.003 0.000 1.687 659 M HN -0.067 nan 8.290 nan 0.000 0.449 660 L N 4.305 125.386 121.223 -0.237 0.000 2.399 660 L HA 0.423 4.761 4.340 -0.003 0.000 0.265 660 L C -0.675 175.900 176.870 -0.492 0.000 1.089 660 L CA -0.778 53.740 54.840 -0.536 0.000 0.802 660 L CB 0.591 42.053 42.059 -0.995 0.000 1.180 660 L HN 0.908 nan 8.230 nan 0.000 0.454 661 Y N -0.853 119.383 120.300 -0.107 0.000 4.177 661 Y HA -0.245 4.308 4.550 0.005 0.000 0.227 661 Y C 1.715 177.487 175.900 -0.215 0.000 1.154 661 Y CA 0.683 58.611 58.100 -0.287 0.000 1.887 661 Y CB -2.911 35.321 38.460 -0.381 0.000 1.594 661 Y HN 0.796 nan 8.280 nan 0.000 0.668 662 T N -3.836 110.697 114.554 -0.035 0.000 3.160 662 T HA 0.006 4.354 4.350 -0.003 0.000 0.257 662 T C 1.061 175.752 174.700 -0.016 0.000 1.147 662 T CA 1.306 63.401 62.100 -0.008 0.000 1.064 662 T CB 0.096 68.961 68.868 -0.004 0.000 0.949 662 T HN 0.636 nan 8.240 nan 0.000 0.526 663 E N 0.175 120.342 120.200 -0.055 0.000 2.526 663 E HA 0.360 4.709 4.350 -0.003 0.000 0.208 663 E C 1.383 177.900 176.600 -0.139 0.000 0.997 663 E CA 0.051 56.426 56.400 -0.042 0.000 0.961 663 E CB 0.455 30.152 29.700 -0.005 0.000 1.030 663 E HN 0.580 nan 8.360 nan 0.000 0.483 664 G N 2.853 111.480 108.800 -0.288 0.000 2.159 664 G HA2 -0.327 3.631 3.960 -0.003 0.000 0.256 664 G HA3 -0.327 3.631 3.960 -0.003 0.000 0.256 664 G C 0.294 174.977 174.900 -0.362 0.000 0.977 664 G CA 0.442 45.224 45.100 -0.530 0.000 0.652 664 G HN 0.177 nan 8.290 nan 0.000 0.531 665 K N 0.630 120.848 120.400 -0.303 0.000 2.268 665 K HA 0.611 4.930 4.320 -0.003 0.000 0.276 665 K C -0.071 176.384 176.600 -0.242 0.000 1.080 665 K CA -0.756 55.463 56.287 -0.114 0.000 0.910 665 K CB 0.006 32.511 32.500 0.008 0.000 1.163 665 K HN 0.034 nan 8.250 nan 0.000 0.465 666 F N 1.088 121.073 119.950 0.059 0.000 2.364 666 F HA 0.157 4.686 4.527 0.004 0.000 0.316 666 F C 0.927 176.753 175.800 0.043 0.000 1.133 666 F CA -0.499 57.447 58.000 -0.091 0.000 1.051 666 F CB 0.600 39.432 39.000 -0.279 0.000 1.342 666 F HN 0.434 nan 8.300 nan 0.000 0.507 667 D N 1.104 121.646 120.400 0.236 0.000 2.619 667 D HA 0.189 4.828 4.640 -0.003 0.000 0.224 667 D C -0.204 176.186 176.300 0.150 0.000 1.133 667 D CA 0.245 54.374 54.000 0.215 0.000 1.017 667 D CB -0.419 40.534 40.800 0.255 0.000 1.077 667 D HN 0.563 nan 8.370 nan 0.000 0.503 668 T N -3.345 111.298 114.554 0.148 0.000 2.843 668 T HA 0.210 4.559 4.350 -0.003 0.000 0.302 668 T C 0.702 175.466 174.700 0.107 0.000 1.232 668 T CA -0.824 61.344 62.100 0.114 0.000 1.009 668 T CB 2.232 71.191 68.868 0.151 0.000 1.254 668 T HN -0.193 nan 8.240 nan 0.000 0.504 669 D N 0.779 121.223 120.400 0.074 0.000 2.178 669 D HA -0.102 4.536 4.640 -0.003 0.000 0.201 669 D C 1.282 177.630 176.300 0.081 0.000 0.980 669 D CA 1.780 55.820 54.000 0.066 0.000 0.842 669 D CB 0.051 40.876 40.800 0.042 0.000 0.948 669 D HN 0.821 nan 8.370 nan 0.000 0.472 670 D N -0.908 119.558 120.400 0.110 0.000 2.340 670 D HA 0.067 4.705 4.640 -0.003 0.000 0.220 670 D C 1.529 177.904 176.300 0.126 0.000 1.039 670 D CA 0.763 54.832 54.000 0.115 0.000 0.866 670 D CB -0.168 40.715 40.800 0.138 0.000 0.913 670 D HN 0.177 nan 8.370 nan 0.000 0.523 671 G N 0.164 109.057 108.800 0.154 0.000 2.168 671 G HA2 -0.289 3.669 3.960 -0.003 0.000 0.263 671 G HA3 -0.289 3.669 3.960 -0.003 0.000 0.263 671 G C 0.179 175.217 174.900 0.230 0.000 0.977 671 G CA 0.426 45.629 45.100 0.171 0.000 0.659 671 G HN 0.408 nan 8.290 nan 0.000 0.533 672 K N 0.075 120.587 120.400 0.185 0.000 2.123 672 K HA 0.793 5.111 4.320 -0.003 0.000 0.248 672 K C 0.364 176.889 176.600 -0.126 0.000 0.969 672 K CA -0.030 56.276 56.287 0.032 0.000 0.882 672 K CB 1.883 34.251 32.500 -0.219 0.000 1.080 672 K HN 0.550 nan 8.250 nan 0.000 0.441 673 A N 1.767 124.305 122.820 -0.470 0.000 2.304 673 A HA 0.412 4.730 4.320 -0.003 0.000 0.301 673 A C -0.638 176.541 177.584 -0.674 0.000 1.132 673 A CA -0.455 51.117 52.037 -0.776 0.000 0.819 673 A CB 0.301 18.476 19.000 -1.375 0.000 1.094 673 A HN 0.672 nan 8.150 nan 0.000 0.492 674 H N 1.096 119.953 119.070 -0.355 0.000 2.547 674 H HA 0.346 4.900 4.556 -0.003 0.000 0.342 674 H C -1.267 173.935 175.328 -0.210 0.000 1.048 674 H CA -0.228 55.714 56.048 -0.176 0.000 1.204 674 H CB 1.208 30.919 29.762 -0.085 0.000 1.493 674 H HN 0.568 nan 8.280 nan 0.000 0.511 675 F N 2.145 122.061 119.950 -0.056 0.000 2.418 675 F HA 0.232 4.758 4.527 -0.001 0.000 0.341 675 F C 0.909 176.681 175.800 -0.047 0.000 1.120 675 F CA 0.203 58.156 58.000 -0.078 0.000 1.232 675 F CB 0.800 39.776 39.000 -0.040 0.000 1.175 675 F HN 0.236 nan 8.300 nan 0.000 0.569 676 K N 3.148 123.599 120.400 0.084 0.000 2.395 676 K HA 0.440 4.759 4.320 -0.003 0.000 0.247 676 K C -2.684 173.939 176.600 0.037 0.000 0.973 676 K CA -1.995 54.323 56.287 0.052 0.000 0.828 676 K CB 2.080 34.580 32.500 -0.001 0.000 1.272 676 K HN 0.250 nan 8.250 nan 0.000 0.439 677 P HA 0.125 nan 4.420 nan 0.000 0.274 677 P C -1.305 176.028 177.300 0.055 0.000 1.231 677 P CA -0.385 62.744 63.100 0.049 0.000 0.790 677 P CB 0.996 32.731 31.700 0.058 0.000 0.951 678 A N 3.353 126.208 122.820 0.058 0.000 3.082 678 A HA 0.445 4.763 4.320 -0.003 0.000 0.328 678 A C -2.485 175.177 177.584 0.131 0.000 1.089 678 A CA -1.422 50.666 52.037 0.084 0.000 0.802 678 A CB 0.451 19.479 19.000 0.047 0.000 1.138 678 A HN 0.351 nan 8.150 nan 0.000 0.474 679 P HA -0.008 nan 4.420 nan 0.000 0.271 679 P C -0.292 177.126 177.300 0.197 0.000 1.216 679 P CA 0.088 63.270 63.100 0.136 0.000 0.771 679 P CB 0.663 32.410 31.700 0.080 0.000 0.864 680 W N 5.826 127.147 121.300 0.034 0.000 2.357 680 W HA 0.161 4.819 4.660 -0.003 0.000 0.317 680 W C -0.500 176.030 176.519 0.018 0.000 1.101 680 W CA -0.539 56.821 57.345 0.026 0.000 1.380 680 W CB 0.496 29.969 29.460 0.023 0.000 1.266 680 W HN 0.364 nan 8.180 nan 0.000 0.419 681 N N 4.456 122.732 118.700 -0.707 0.000 2.205 681 N HA 0.150 4.888 4.740 -0.003 0.000 0.201 681 N C 0.969 175.915 175.510 -0.939 0.000 1.128 681 N CA 0.831 53.486 53.050 -0.658 0.000 0.867 681 N CB 0.967 39.269 38.487 -0.309 0.000 0.996 681 N HN 0.709 nan 8.380 nan 0.000 0.503 682 G N 1.219 108.905 108.800 -1.857 0.000 2.642 682 G HA2 -0.257 3.701 3.960 -0.003 0.000 0.231 682 G HA3 -0.257 3.701 3.960 -0.003 0.000 0.231 682 G C -0.557 173.962 174.900 -0.635 0.000 1.338 682 G CA -0.649 43.711 45.100 -1.235 0.000 0.883 682 G HN 0.153 nan 8.290 nan 0.000 0.570 683 L N 1.514 122.557 121.223 -0.300 0.000 2.417 683 L HA 0.385 4.724 4.340 -0.003 0.000 0.268 683 L C -1.636 175.067 176.870 -0.279 0.000 1.158 683 L CA -1.587 53.143 54.840 -0.183 0.000 0.819 683 L CB 0.727 42.731 42.059 -0.091 0.000 1.112 683 L HN 0.348 nan 8.230 nan 0.000 0.458 684 P HA -0.013 nan 4.420 nan 0.000 0.266 684 P C 0.108 177.234 177.300 -0.290 0.000 1.195 684 P CA 0.013 62.779 63.100 -0.556 0.000 0.768 684 P CB 0.856 31.627 31.700 -1.548 0.000 0.838 685 A N 2.929 125.668 122.820 -0.135 0.000 1.986 685 A HA -0.198 4.121 4.320 -0.003 0.000 0.220 685 A C 2.040 179.630 177.584 0.010 0.000 1.171 685 A CA 2.328 54.338 52.037 -0.045 0.000 0.640 685 A CB -1.709 17.301 19.000 0.016 0.000 0.811 685 A HN 0.542 nan 8.150 nan 0.000 0.451 686 T N -0.589 114.002 114.554 0.062 0.000 2.746 686 T HA -0.102 4.247 4.350 -0.003 0.000 0.267 686 T C 1.880 176.667 174.700 0.146 0.000 1.039 686 T CA 1.606 63.819 62.100 0.189 0.000 1.142 686 T CB -0.340 68.743 68.868 0.358 0.000 0.866 686 T HN 0.195 nan 8.240 nan 0.000 0.444 687 V N 1.245 121.161 119.914 0.004 0.000 2.323 687 V HA -0.142 3.976 4.120 -0.003 0.000 0.244 687 V C 2.607 178.688 176.094 -0.020 0.000 1.041 687 V CA 1.618 63.937 62.300 0.031 0.000 1.025 687 V CB -0.707 31.106 31.823 -0.017 0.000 0.656 687 V HN 0.337 nan 8.190 nan 0.000 0.451 688 Q N 0.261 119.995 119.800 -0.109 0.000 2.197 688 Q HA -0.268 4.070 4.340 -0.003 0.000 0.207 688 Q C 2.176 178.106 176.000 -0.117 0.000 0.984 688 Q CA 1.973 57.670 55.803 -0.177 0.000 0.869 688 Q CB -0.350 28.296 28.738 -0.154 0.000 0.906 688 Q HN 0.705 nan 8.270 nan 0.000 0.426 689 Q N -1.170 118.621 119.800 -0.015 0.000 2.119 689 Q HA -0.156 4.182 4.340 -0.003 0.000 0.201 689 Q C 2.057 178.099 176.000 0.070 0.000 0.972 689 Q CA 1.192 57.008 55.803 0.023 0.000 0.847 689 Q CB 0.048 28.829 28.738 0.072 0.000 0.903 689 Q HN 0.414 nan 8.270 nan 0.000 0.433 690 Q N 0.753 120.659 119.800 0.177 0.000 2.083 690 Q HA -0.110 4.228 4.340 -0.003 0.000 0.198 690 Q C 1.828 177.977 176.000 0.248 0.000 0.969 690 Q CA 1.069 57.087 55.803 0.358 0.000 0.838 690 Q CB -0.210 28.823 28.738 0.493 0.000 0.900 690 Q HN 0.280 nan 8.270 nan 0.000 0.436 691 K N 0.859 121.227 120.400 -0.054 0.000 2.063 691 K HA -0.182 4.137 4.320 -0.003 0.000 0.208 691 K C 1.055 177.481 176.600 -0.289 0.000 1.048 691 K CA 1.673 57.646 56.287 -0.524 0.000 0.928 691 K CB 0.118 31.872 32.500 -1.243 0.000 0.713 691 K HN 0.020 nan 8.250 nan 0.000 0.442 692 D N -0.006 120.273 120.400 -0.202 0.000 2.269 692 D HA -0.100 4.539 4.640 -0.003 0.000 0.208 692 D C 1.550 177.769 176.300 -0.136 0.000 0.963 692 D CA 0.983 54.892 54.000 -0.152 0.000 0.864 692 D CB 0.168 40.893 40.800 -0.126 0.000 0.936 692 D HN 0.274 nan 8.370 nan 0.000 0.505 693 K N -1.084 119.221 120.400 -0.159 0.000 2.348 693 K HA 0.026 4.344 4.320 -0.003 0.000 0.194 693 K C -0.438 175.852 176.600 -0.517 0.000 1.052 693 K CA 0.173 56.249 56.287 -0.352 0.000 1.004 693 K CB 0.469 32.690 32.500 -0.464 0.000 0.873 693 K HN -0.017 nan 8.250 nan 0.000 0.523 694 Y N -0.174 120.174 120.300 0.079 0.000 2.536 694 Y HA 0.329 4.877 4.550 -0.003 0.000 0.347 694 Y C 0.989 176.982 175.900 0.154 0.000 1.000 694 Y CA -1.168 57.006 58.100 0.123 0.000 1.051 694 Y CB 1.557 40.121 38.460 0.174 0.000 1.259 694 Y HN -0.242 nan 8.280 nan 0.000 0.468 695 R N 1.207 121.868 120.500 0.268 0.000 2.070 695 R HA 0.025 4.363 4.340 -0.003 0.000 0.227 695 R C -0.404 175.972 176.300 0.127 0.000 1.147 695 R CA 1.113 57.241 56.100 0.047 0.000 0.924 695 R CB -0.180 29.962 30.300 -0.263 0.000 0.827 695 R HN 0.514 nan 8.270 nan 0.000 0.431 696 F N 0.022 120.129 119.950 0.263 0.000 2.412 696 F HA 0.125 4.651 4.527 -0.003 0.000 0.348 696 F C 0.112 175.915 175.800 0.004 0.000 1.102 696 F CA -0.885 57.223 58.000 0.180 0.000 1.196 696 F CB 0.337 39.363 39.000 0.044 0.000 1.144 696 F HN 0.188 nan 8.300 nan 0.000 0.541 697 W N 5.994 127.156 121.300 -0.229 0.000 2.303 697 W HA 0.381 5.039 4.660 -0.003 0.000 0.318 697 W C -0.951 175.264 176.519 -0.506 0.000 1.362 697 W CA -1.366 55.353 57.345 -1.042 0.000 1.234 697 W CB 0.420 29.416 29.460 -0.773 0.000 1.248 697 W HN 0.384 nan 8.180 nan 0.000 0.546 698 L N 7.652 128.347 121.223 -0.879 0.000 2.512 698 L HA 0.097 4.436 4.340 -0.003 0.000 0.247 698 L C 0.715 176.976 176.870 -1.014 0.000 1.204 698 L CA -0.609 53.791 54.840 -0.733 0.000 1.153 698 L CB -1.034 40.777 42.059 -0.413 0.000 1.415 698 L HN 0.466 nan 8.230 nan 0.000 0.406 699 N N 3.049 120.876 118.700 -1.454 0.000 2.340 699 N HA 0.093 4.832 4.740 -0.003 0.000 0.236 699 N C -0.470 174.586 175.510 -0.756 0.000 1.296 699 N CA 0.229 52.527 53.050 -1.254 0.000 0.896 699 N CB 0.593 38.306 38.487 -1.290 0.000 1.127 699 N HN 0.667 nan 8.380 nan 0.000 0.442 700 N N -1.255 117.096 118.700 -0.583 0.000 3.043 700 N HA 0.694 5.433 4.740 -0.003 0.000 0.243 700 N C -0.579 174.656 175.510 -0.457 0.000 1.347 700 N CA -0.510 52.065 53.050 -0.791 0.000 0.896 700 N CB 1.216 39.426 38.487 -0.461 0.000 1.501 700 N HN 0.667 nan 8.380 nan 0.000 0.504 701 G N -0.116 108.395 108.800 -0.481 0.000 2.404 701 G HA2 0.318 4.276 3.960 -0.003 0.000 0.253 701 G HA3 0.318 4.276 3.960 -0.003 0.000 0.253 701 G C -1.636 173.416 174.900 0.253 0.000 1.253 701 G CA -1.026 44.077 45.100 0.005 0.000 0.917 701 G HN 0.581 nan 8.290 nan 0.000 0.480 702 R N 0.602 121.265 120.500 0.273 0.000 2.582 702 R HA 0.544 4.882 4.340 -0.003 0.000 0.271 702 R C 0.234 176.658 176.300 0.207 0.000 1.078 702 R CA -0.419 55.814 56.100 0.223 0.000 1.127 702 R CB 0.564 30.929 30.300 0.108 0.000 1.038 702 R HN 0.560 nan 8.270 nan 0.000 0.500 703 N N 1.035 119.796 118.700 0.102 0.000 2.296 703 N HA 0.038 4.777 4.740 -0.003 0.000 0.294 703 N C 0.148 175.672 175.510 0.025 0.000 1.033 703 N CA -0.332 52.748 53.050 0.050 0.000 0.839 703 N CB 1.301 39.747 38.487 -0.069 0.000 1.395 703 N HN 0.563 nan 8.380 nan 0.000 0.479 704 N N 2.972 121.685 118.700 0.022 0.000 2.091 704 N HA -0.227 4.512 4.740 -0.003 0.000 0.193 704 N C 0.669 176.197 175.510 0.030 0.000 1.021 704 N CA 2.136 55.184 53.050 -0.003 0.000 0.862 704 N CB 0.273 38.744 38.487 -0.026 0.000 1.018 704 N HN 0.591 nan 8.380 nan 0.000 0.429 705 E N -0.896 119.349 120.200 0.075 0.000 2.170 705 E HA 0.111 4.460 4.350 -0.003 0.000 0.191 705 E C -0.161 176.505 176.600 0.110 0.000 0.981 705 E CA 0.186 56.655 56.400 0.116 0.000 0.830 705 E CB 0.300 30.142 29.700 0.237 0.000 0.775 705 E HN 0.076 nan 8.360 nan 0.000 0.470 706 V N 1.989 121.934 119.914 0.052 0.000 2.461 706 V HA 0.058 4.177 4.120 -0.003 0.000 0.275 706 V C -0.520 175.628 176.094 0.091 0.000 1.047 706 V CA -0.548 61.778 62.300 0.043 0.000 0.955 706 V CB 0.712 32.471 31.823 -0.108 0.000 0.988 706 V HN 0.285 nan 8.190 nan 0.000 0.471 707 W N 6.373 127.588 121.300 -0.141 0.000 2.314 707 W HA 0.300 4.958 4.660 -0.003 0.000 0.310 707 W C 0.384 176.824 176.519 -0.132 0.000 1.075 707 W CA -0.545 56.687 57.345 -0.189 0.000 1.253 707 W CB 1.104 30.302 29.460 -0.436 0.000 1.238 707 W HN 0.796 nan 8.180 nan 0.000 0.440 708 Q N 1.290 120.707 119.800 -0.639 0.000 2.049 708 Q HA -0.351 3.988 4.340 -0.003 0.000 0.409 708 Q C 1.549 177.305 176.000 -0.405 0.000 0.726 708 Q CA 3.097 58.576 55.803 -0.540 0.000 0.896 708 Q CB -1.849 26.476 28.738 -0.688 0.000 3.134 708 Q HN 0.749 nan 8.270 nan 0.000 0.836 709 T N -1.113 113.312 114.554 -0.215 0.000 3.148 709 T HA 0.477 4.826 4.350 -0.003 0.000 0.253 709 T C 0.843 175.446 174.700 -0.161 0.000 1.134 709 T CA 1.379 63.371 62.100 -0.179 0.000 1.051 709 T CB -0.034 68.803 68.868 -0.051 0.000 0.959 709 T HN 1.423 nan 8.240 nan 0.000 0.525 710 A N 0.955 123.674 122.820 -0.169 0.000 2.914 710 A HA -0.200 4.118 4.320 -0.003 0.000 0.280 710 A C 0.881 178.287 177.584 -0.297 0.000 1.447 710 A CA 0.898 52.801 52.037 -0.223 0.000 0.759 710 A CB -3.003 15.876 19.000 -0.203 0.000 1.034 710 A HN 0.981 nan 8.150 nan 0.000 0.529 711 Y N -2.895 117.283 120.300 -0.202 0.000 2.181 711 Y HA -0.149 4.399 4.550 -0.003 0.000 0.288 711 Y C 2.268 177.872 175.900 -0.493 0.000 1.146 711 Y CA 1.600 59.505 58.100 -0.326 0.000 1.164 711 Y CB -0.541 37.855 38.460 -0.106 0.000 0.982 711 Y HN 0.572 nan 8.280 nan 0.000 0.515 712 H N 0.429 119.196 119.070 -0.506 0.000 2.306 712 H HA -0.066 4.489 4.556 -0.003 0.000 0.307 712 H C 1.643 176.620 175.328 -0.584 0.000 1.061 712 H CA 1.299 56.973 56.048 -0.624 0.000 1.359 712 H CB -0.515 28.494 29.762 -1.255 0.000 1.407 712 H HN 0.364 nan 8.280 nan 0.000 0.517 713 D N 1.252 121.465 120.400 -0.312 0.000 2.191 713 D HA -0.216 4.423 4.640 -0.003 0.000 0.195 713 D C 2.212 178.449 176.300 -0.105 0.000 1.003 713 D CA 1.454 55.419 54.000 -0.059 0.000 0.867 713 D CB -0.355 40.465 40.800 0.034 0.000 0.926 713 D HN 0.665 nan 8.370 nan 0.000 0.450 714 Q N -0.328 119.273 119.800 -0.332 0.000 2.297 714 Q HA -0.188 4.150 4.340 -0.003 0.000 0.208 714 Q C 1.255 177.032 176.000 -0.372 0.000 0.981 714 Q CA 1.243 56.780 55.803 -0.442 0.000 0.876 714 Q CB -0.530 27.777 28.738 -0.719 0.000 0.921 714 Q HN 0.468 nan 8.270 nan 0.000 0.446 715 Y N 0.527 120.769 120.300 -0.097 0.000 2.457 715 Y HA 0.204 4.752 4.550 -0.003 0.000 0.263 715 Y C 0.639 176.570 175.900 0.050 0.000 1.164 715 Y CA -0.698 57.382 58.100 -0.033 0.000 1.274 715 Y CB 0.477 38.907 38.460 -0.051 0.000 1.097 715 Y HN 0.166 nan 8.280 nan 0.000 0.523 716 N N 0.514 119.334 118.700 0.201 0.000 2.419 716 N HA 0.027 4.765 4.740 -0.003 0.000 0.264 716 N C 0.530 176.119 175.510 0.132 0.000 1.031 716 N CA 0.212 53.392 53.050 0.216 0.000 0.951 716 N CB 1.458 40.132 38.487 0.313 0.000 1.101 716 N HN 0.048 nan 8.380 nan 0.000 0.488 717 S N 3.865 119.629 115.700 0.107 0.000 2.365 717 S HA -0.136 4.333 4.470 -0.003 0.000 0.225 717 S C 1.921 176.548 174.600 0.045 0.000 1.039 717 S CA 1.036 59.277 58.200 0.068 0.000 1.033 717 S CB -0.092 63.141 63.200 0.055 0.000 0.887 717 S HN 0.597 nan 8.310 nan 0.000 0.447 718 L N 0.603 121.851 121.223 0.040 0.000 2.056 718 L HA -0.084 4.255 4.340 -0.003 0.000 0.207 718 L C 2.538 179.413 176.870 0.007 0.000 1.078 718 L CA 0.902 55.747 54.840 0.008 0.000 0.749 718 L CB -0.484 41.578 42.059 0.004 0.000 0.901 718 L HN 0.341 nan 8.230 nan 0.000 0.433 719 M N -0.656 118.985 119.600 0.068 0.000 2.213 719 M HA -0.198 4.280 4.480 -0.003 0.000 0.263 719 M C 2.164 178.528 176.300 0.107 0.000 1.062 719 M CA 1.659 57.030 55.300 0.118 0.000 1.105 719 M CB -0.940 31.769 32.600 0.182 0.000 1.385 719 M HN 0.332 nan 8.290 nan 0.000 0.417 720 Q N -0.487 119.356 119.800 0.072 0.000 2.123 720 Q HA -0.164 4.174 4.340 -0.003 0.000 0.199 720 Q C 2.003 178.005 176.000 0.004 0.000 0.966 720 Q CA 1.285 57.123 55.803 0.057 0.000 0.845 720 Q CB -0.103 28.664 28.738 0.050 0.000 0.907 720 Q HN 0.570 nan 8.270 nan 0.000 0.439 721 E N 0.672 120.854 120.200 -0.029 0.000 2.107 721 E HA -0.213 4.135 4.350 -0.003 0.000 0.191 721 E C 2.031 178.521 176.600 -0.183 0.000 0.982 721 E CA 0.709 57.065 56.400 -0.074 0.000 0.809 721 E CB 0.180 29.844 29.700 -0.060 0.000 0.756 721 E HN 0.019 nan 8.360 nan 0.000 0.459 722 R N -0.440 119.907 120.500 -0.254 0.000 2.062 722 R HA -0.073 4.265 4.340 -0.003 0.000 0.229 722 R C 0.082 175.954 176.300 -0.713 0.000 1.128 722 R CA 1.464 57.232 56.100 -0.553 0.000 0.960 722 R CB -0.033 29.867 30.300 -0.667 0.000 0.855 722 R HN 0.184 nan 8.270 nan 0.000 0.432 723 Y N 0.078 120.331 120.300 -0.078 0.000 2.662 723 Y HA 0.341 4.889 4.550 -0.003 0.000 0.358 723 Y C -1.794 174.101 175.900 -0.009 0.000 1.041 723 Y CA -2.119 55.937 58.100 -0.073 0.000 1.184 723 Y CB 1.884 40.309 38.460 -0.058 0.000 1.114 723 Y HN 0.160 nan 8.280 nan 0.000 0.650 724 P HA -0.125 nan 4.420 nan 0.000 0.226 724 P C 0.229 177.545 177.300 0.028 0.000 1.153 724 P CA 1.255 64.296 63.100 -0.097 0.000 0.777 724 P CB 1.010 32.482 31.700 -0.380 0.000 0.794 725 M N -1.205 118.400 119.600 0.010 0.000 2.569 725 M HA 0.597 5.075 4.480 -0.003 0.000 0.279 725 M C -1.444 174.955 176.300 0.165 0.000 1.253 725 M CA -1.087 54.349 55.300 0.226 0.000 0.867 725 M CB 2.715 35.488 32.600 0.289 0.000 1.727 725 M HN -0.238 nan 8.290 nan 0.000 0.467 726 A N 2.205 125.101 122.820 0.126 0.000 2.483 726 A HA 0.413 4.731 4.320 -0.003 0.000 0.238 726 A C -1.198 176.359 177.584 -0.045 0.000 1.070 726 A CA 0.051 51.969 52.037 -0.197 0.000 0.770 726 A CB -0.258 18.598 19.000 -0.240 0.000 1.008 726 A HN 0.790 nan 8.150 nan 0.000 0.497 727 Y N 0.013 120.260 120.300 -0.089 0.000 2.528 727 Y HA 0.768 5.316 4.550 -0.003 0.000 0.335 727 Y C -0.608 175.301 175.900 0.015 0.000 1.093 727 Y CA -1.770 56.378 58.100 0.080 0.000 1.134 727 Y CB 1.252 39.892 38.460 0.301 0.000 1.253 727 Y HN 0.584 nan 8.280 nan 0.000 0.478 728 I N 2.708 123.389 120.570 0.185 0.000 2.447 728 I HA 0.322 4.491 4.170 -0.003 0.000 0.287 728 I C -1.102 175.152 176.117 0.227 0.000 1.023 728 I CA -0.693 60.634 61.300 0.045 0.000 1.083 728 I CB 1.357 39.315 38.000 -0.071 0.000 1.245 728 I HN 0.832 nan 8.210 nan 0.000 0.434 729 E N 8.451 128.799 120.200 0.246 0.000 2.257 729 E HA 0.347 4.696 4.350 -0.003 0.000 0.278 729 E C -0.918 175.756 176.600 0.124 0.000 1.049 729 E CA 0.020 56.553 56.400 0.221 0.000 0.876 729 E CB 1.139 30.956 29.700 0.194 0.000 1.035 729 E HN 0.536 nan 8.360 nan 0.000 0.419 730 M N 2.253 121.922 119.600 0.115 0.000 2.572 730 M HA 0.238 4.716 4.480 -0.003 0.000 0.299 730 M C -0.146 176.214 176.300 0.101 0.000 1.205 730 M CA -0.961 54.382 55.300 0.072 0.000 0.876 730 M CB 2.005 34.608 32.600 0.004 0.000 1.728 730 M HN 0.360 nan 8.290 nan 0.000 0.458 731 N N 2.382 121.154 118.700 0.121 0.000 2.483 731 N HA 0.094 4.833 4.740 -0.003 0.000 0.264 731 N C -2.136 173.436 175.510 0.104 0.000 1.197 731 N CA -0.931 52.192 53.050 0.121 0.000 0.927 731 N CB 1.329 39.905 38.487 0.149 0.000 1.065 731 N HN 0.275 nan 8.380 nan 0.000 0.461 732 P HA -0.122 nan 4.420 nan 0.000 0.216 732 P C 0.417 177.759 177.300 0.069 0.000 1.150 732 P CA 1.193 64.334 63.100 0.069 0.000 0.843 732 P CB 0.316 32.052 31.700 0.061 0.000 0.787 733 D N -1.097 119.350 120.400 0.079 0.000 2.149 733 D HA -0.114 4.525 4.640 -0.003 0.000 0.201 733 D C 1.509 177.869 176.300 0.100 0.000 0.972 733 D CA 1.012 55.059 54.000 0.078 0.000 0.835 733 D CB -0.591 40.253 40.800 0.073 0.000 0.966 733 D HN 0.163 nan 8.370 nan 0.000 0.476 734 D N 0.037 120.519 120.400 0.137 0.000 2.144 734 D HA -0.083 4.556 4.640 -0.003 0.000 0.200 734 D C 2.190 178.578 176.300 0.145 0.000 0.978 734 D CA 0.418 54.537 54.000 0.198 0.000 0.833 734 D CB -0.319 40.682 40.800 0.335 0.000 0.961 734 D HN 0.197 nan 8.370 nan 0.000 0.470 735 C N 1.096 120.452 119.300 0.095 0.000 2.429 735 C HA -0.090 4.368 4.460 -0.003 0.000 0.277 735 C C 2.526 177.547 174.990 0.050 0.000 1.262 735 C CA 0.417 59.467 59.018 0.053 0.000 1.733 735 C CB -0.527 27.232 27.740 0.031 0.000 2.010 735 C HN 0.375 nan 8.230 nan 0.000 0.483 736 K N 0.281 120.713 120.400 0.054 0.000 2.057 736 K HA -0.207 4.112 4.320 -0.003 0.000 0.207 736 K C 2.325 178.958 176.600 0.055 0.000 1.049 736 K CA 1.159 57.474 56.287 0.045 0.000 0.931 736 K CB -0.384 32.142 32.500 0.043 0.000 0.714 736 K HN 0.445 nan 8.250 nan 0.000 0.440 737 Q N 1.368 121.212 119.800 0.074 0.000 2.135 737 Q HA -0.144 4.195 4.340 -0.003 0.000 0.204 737 Q C 1.679 177.731 176.000 0.087 0.000 0.981 737 Q CA 1.538 57.391 55.803 0.083 0.000 0.856 737 Q CB 0.015 28.816 28.738 0.105 0.000 0.902 737 Q HN 0.384 nan 8.270 nan 0.000 0.425 738 L N 0.469 121.748 121.223 0.092 0.000 2.592 738 L HA 0.053 4.392 4.340 -0.003 0.000 0.227 738 L C 0.179 177.079 176.870 0.051 0.000 1.127 738 L CA 0.272 55.161 54.840 0.082 0.000 0.884 738 L CB 0.093 42.201 42.059 0.082 0.000 1.065 738 L HN 0.168 nan 8.230 nan 0.000 0.457 739 D N 0.912 121.337 120.400 0.041 0.000 2.699 739 D HA -0.151 4.487 4.640 -0.003 0.000 0.239 739 D C -0.487 175.819 176.300 0.010 0.000 1.136 739 D CA 0.805 54.820 54.000 0.025 0.000 0.668 739 D CB -0.753 40.062 40.800 0.025 0.000 1.060 739 D HN 0.154 nan 8.370 nan 0.000 0.429 740 V N -2.158 117.758 119.914 0.003 0.000 2.823 740 V HA 0.978 5.096 4.120 -0.003 0.000 0.312 740 V C 0.443 176.511 176.094 -0.043 0.000 1.072 740 V CA 0.130 62.418 62.300 -0.020 0.000 0.937 740 V CB 2.178 33.989 31.823 -0.020 0.000 1.013 740 V HN 0.398 nan 8.190 nan 0.000 0.430 741 T N -0.197 114.307 114.554 -0.082 0.000 2.831 741 T HA 0.759 5.107 4.350 -0.003 0.000 0.287 741 T C 0.495 175.030 174.700 -0.275 0.000 1.070 741 T CA -0.257 61.766 62.100 -0.130 0.000 1.010 741 T CB 1.132 69.942 68.868 -0.097 0.000 1.264 741 T HN 1.708 nan 8.240 nan 0.000 0.532 742 G N -1.176 107.347 108.800 -0.463 0.000 2.265 742 G HA2 0.393 4.351 3.960 -0.003 0.000 0.240 742 G HA3 0.393 4.351 3.960 -0.003 0.000 0.240 742 G C 1.221 175.515 174.900 -1.010 0.000 1.270 742 G CA 0.177 44.556 45.100 -1.202 0.000 0.901 742 G HN 2.084 nan 8.290 nan 0.000 0.507 743 G N 1.954 110.180 108.800 -0.957 0.000 2.194 743 G HA2 -0.238 3.720 3.960 -0.003 0.000 0.236 743 G HA3 -0.238 3.720 3.960 -0.003 0.000 0.236 743 G C 0.233 175.162 174.900 0.049 0.000 0.987 743 G CA 0.347 45.418 45.100 -0.047 0.000 0.635 743 G HN 0.776 nan 8.290 nan 0.000 0.520 744 D N 0.532 120.895 120.400 -0.063 0.000 2.329 744 D HA 0.539 5.177 4.640 -0.003 0.000 0.246 744 D C 0.678 177.013 176.300 0.059 0.000 1.111 744 D CA -0.067 53.927 54.000 -0.010 0.000 0.941 744 D CB 0.845 41.622 40.800 -0.038 0.000 1.169 744 D HN 0.090 nan 8.370 nan 0.000 0.441 745 I N 1.798 122.401 120.570 0.054 0.000 2.354 745 I HA 0.217 4.386 4.170 -0.003 0.000 0.292 745 I C 0.227 176.390 176.117 0.076 0.000 0.989 745 I CA -0.862 60.498 61.300 0.100 0.000 1.188 745 I CB 0.953 38.993 38.000 0.066 0.000 1.342 745 I HN 0.056 nan 8.210 nan 0.000 0.457 746 V N 2.807 122.782 119.914 0.102 0.000 2.815 746 V HA 0.641 4.759 4.120 -0.003 0.000 0.314 746 V C -0.311 175.863 176.094 0.132 0.000 1.064 746 V CA -0.857 61.491 62.300 0.080 0.000 0.952 746 V CB 2.267 34.102 31.823 0.019 0.000 1.020 746 V HN 0.839 nan 8.190 nan 0.000 0.439 747 E N 1.915 122.200 120.200 0.142 0.000 2.156 747 E HA 0.626 4.975 4.350 -0.003 0.000 0.279 747 E C -1.497 175.218 176.600 0.193 0.000 0.965 747 E CA -0.661 55.864 56.400 0.208 0.000 0.789 747 E CB 1.998 31.831 29.700 0.222 0.000 1.098 747 E HN 0.694 nan 8.360 nan 0.000 0.397 748 V N 5.880 125.875 119.914 0.134 0.000 2.435 748 V HA 0.484 4.603 4.120 -0.003 0.000 0.290 748 V C -0.874 175.265 176.094 0.074 0.000 1.030 748 V CA -0.505 61.788 62.300 -0.011 0.000 0.881 748 V CB 0.532 32.301 31.823 -0.091 0.000 0.983 748 V HN 0.677 nan 8.190 nan 0.000 0.445 749 Y N 2.956 123.211 120.300 -0.074 0.000 2.656 749 Y HA 0.845 5.393 4.550 -0.003 0.000 0.334 749 Y C -0.789 174.886 175.900 -0.375 0.000 1.179 749 Y CA -1.335 56.687 58.100 -0.130 0.000 1.050 749 Y CB 1.415 39.840 38.460 -0.059 0.000 1.308 749 Y HN 0.672 nan 8.280 nan 0.000 0.456 750 N N -1.343 117.250 118.700 -0.178 0.000 3.526 750 N HA 0.245 4.983 4.740 -0.003 0.000 0.328 750 N C -0.562 174.936 175.510 -0.020 0.000 1.601 750 N CA -0.329 52.360 53.050 -0.601 0.000 0.834 750 N CB 0.108 38.316 38.487 -0.465 0.000 1.983 750 N HN 0.534 nan 8.380 nan 0.000 0.579 751 D N -0.618 119.855 120.400 0.121 0.000 2.178 751 D HA 0.039 4.677 4.640 -0.003 0.000 0.202 751 D C 0.944 177.137 176.300 -0.178 0.000 0.974 751 D CA 1.149 55.142 54.000 -0.013 0.000 0.841 751 D CB -0.261 40.455 40.800 -0.140 0.000 0.953 751 D HN 0.406 nan 8.370 nan 0.000 0.478 752 F N 0.415 120.409 119.950 0.073 0.000 2.661 752 F HA 0.261 4.787 4.527 -0.002 0.000 0.298 752 F C 1.718 177.537 175.800 0.032 0.000 1.137 752 F CA 0.479 58.511 58.000 0.054 0.000 1.454 752 F CB 0.350 39.383 39.000 0.056 0.000 1.103 752 F HN -0.027 nan 8.300 nan 0.000 0.577 753 G N -0.613 108.283 108.800 0.160 0.000 2.339 753 G HA2 0.355 4.313 3.960 -0.003 0.000 0.275 753 G HA3 0.355 4.313 3.960 -0.003 0.000 0.275 753 G C -1.460 173.501 174.900 0.103 0.000 1.323 753 G CA -0.451 44.712 45.100 0.105 0.000 0.927 753 G HN 0.361 nan 8.290 nan 0.000 0.486 754 S N -1.709 114.043 115.700 0.087 0.000 2.537 754 S HA 0.871 5.340 4.470 -0.003 0.000 0.270 754 S C -0.574 174.077 174.600 0.085 0.000 1.142 754 S CA 0.571 58.840 58.200 0.115 0.000 0.870 754 S CB 2.035 65.319 63.200 0.140 0.000 1.112 754 S HN 1.909 nan 8.310 nan 0.000 0.466 755 T N 0.582 115.181 114.554 0.074 0.000 2.626 755 T HA 0.901 5.250 4.350 -0.003 0.000 0.279 755 T C -1.843 172.928 174.700 0.118 0.000 0.983 755 T CA -0.664 61.432 62.100 -0.007 0.000 1.059 755 T CB 0.862 69.627 68.868 -0.171 0.000 1.396 755 T HN 1.348 nan 8.240 nan 0.000 0.519 756 F N -0.799 119.156 119.950 0.008 0.000 2.668 756 F HA 0.934 5.460 4.527 -0.002 0.000 0.309 756 F C -0.923 174.891 175.800 0.022 0.000 1.117 756 F CA -1.023 56.991 58.000 0.023 0.000 0.951 756 F CB 1.091 40.118 39.000 0.045 0.000 1.323 756 F HN 0.858 nan 8.300 nan 0.000 0.451 757 A N 2.270 125.251 122.820 0.267 0.000 2.586 757 A HA 0.748 5.066 4.320 -0.003 0.000 0.290 757 A C -1.341 176.398 177.584 0.259 0.000 1.086 757 A CA -0.816 51.331 52.037 0.182 0.000 0.665 757 A CB 1.673 20.675 19.000 0.004 0.000 1.279 757 A HN 1.272 nan 8.150 nan 0.000 0.423 758 M N 0.885 120.659 119.600 0.291 0.000 2.188 758 M HA 0.679 5.157 4.480 -0.003 0.000 0.357 758 M C -0.705 175.737 176.300 0.237 0.000 1.204 758 M CA -0.626 54.866 55.300 0.319 0.000 1.095 758 M CB 0.985 33.846 32.600 0.436 0.000 1.604 758 M HN 0.267 nan 8.290 nan 0.000 0.464 759 V N 4.006 123.979 119.914 0.099 0.000 2.599 759 V HA -0.052 4.067 4.120 -0.003 0.000 0.300 759 V C -0.732 175.351 176.094 -0.018 0.000 1.034 759 V CA 0.460 62.779 62.300 0.032 0.000 1.115 759 V CB -0.320 31.468 31.823 -0.057 0.000 0.934 759 V HN 0.851 nan 8.190 nan 0.000 0.485 760 Y N 6.281 126.599 120.300 0.030 0.000 2.681 760 Y HA 0.374 4.922 4.550 -0.002 0.000 0.347 760 Y C -2.395 173.547 175.900 0.070 0.000 1.029 760 Y CA -2.726 55.436 58.100 0.103 0.000 1.279 760 Y CB 1.908 40.550 38.460 0.303 0.000 1.096 760 Y HN 0.553 nan 8.280 nan 0.000 0.580 761 P HA -0.010 nan 4.420 nan 0.000 0.263 761 P C -1.148 176.308 177.300 0.260 0.000 1.195 761 P CA 0.501 63.707 63.100 0.175 0.000 0.762 761 P CB 0.832 32.572 31.700 0.067 0.000 0.799 762 V N 3.767 123.786 119.914 0.175 0.000 2.447 762 V HA 0.308 4.427 4.120 -0.003 0.000 0.292 762 V C 1.183 177.328 176.094 0.086 0.000 1.021 762 V CA -0.364 62.009 62.300 0.123 0.000 0.850 762 V CB 1.193 33.051 31.823 0.058 0.000 1.005 762 V HN 0.569 nan 8.190 nan 0.000 0.426 763 A N 3.248 126.112 122.820 0.074 0.000 1.986 763 A HA -0.161 4.157 4.320 -0.003 0.000 0.220 763 A C 1.812 179.429 177.584 0.055 0.000 1.171 763 A CA 2.050 54.123 52.037 0.060 0.000 0.640 763 A CB -0.177 18.851 19.000 0.047 0.000 0.811 763 A HN 0.846 nan 8.150 nan 0.000 0.451 764 E N -0.223 120.003 120.200 0.044 0.000 2.274 764 E HA 0.005 4.353 4.350 -0.003 0.000 0.194 764 E C 0.301 176.942 176.600 0.067 0.000 0.996 764 E CA 0.144 56.571 56.400 0.044 0.000 0.840 764 E CB -0.151 29.560 29.700 0.019 0.000 0.772 764 E HN 0.480 nan 8.360 nan 0.000 0.491 765 I N 2.495 123.111 120.570 0.076 0.000 2.598 765 I HA -0.035 4.133 4.170 -0.003 0.000 0.284 765 I C 0.569 176.762 176.117 0.126 0.000 1.140 765 I CA 0.033 61.398 61.300 0.108 0.000 1.420 765 I CB 0.059 38.127 38.000 0.115 0.000 1.387 765 I HN -0.028 nan 8.210 nan 0.000 0.553 766 K N 6.690 127.179 120.400 0.148 0.000 2.295 766 K HA 0.208 4.526 4.320 -0.003 0.000 0.270 766 K C 0.326 177.028 176.600 0.170 0.000 1.011 766 K CA -0.575 55.797 56.287 0.141 0.000 0.953 766 K CB 0.681 33.265 32.500 0.139 0.000 0.956 766 K HN 0.413 nan 8.250 nan 0.000 0.477 767 R N 0.511 121.097 120.500 0.142 0.000 2.640 767 R HA -0.025 4.313 4.340 -0.003 0.000 0.270 767 R C 1.048 177.452 176.300 0.174 0.000 1.024 767 R CA 1.002 57.196 56.100 0.156 0.000 1.085 767 R CB 0.096 30.459 30.300 0.105 0.000 0.963 767 R HN 1.035 nan 8.270 nan 0.000 0.426 768 G N 1.244 110.166 108.800 0.203 0.000 2.184 768 G HA2 -0.303 3.655 3.960 -0.003 0.000 0.264 768 G HA3 -0.303 3.655 3.960 -0.003 0.000 0.264 768 G C 0.046 175.164 174.900 0.364 0.000 0.975 768 G CA 0.211 45.396 45.100 0.142 0.000 0.642 768 G HN 0.581 nan 8.290 nan 0.000 0.536 769 Q N -0.163 119.875 119.800 0.397 0.000 2.359 769 Q HA 0.733 5.071 4.340 -0.003 0.000 0.275 769 Q C 0.099 176.259 176.000 0.266 0.000 1.082 769 Q CA -0.123 55.925 55.803 0.408 0.000 0.849 769 Q CB 2.332 31.350 28.738 0.467 0.000 1.377 769 Q HN 0.610 nan 8.270 nan 0.000 0.452 770 T N -2.280 112.318 114.554 0.074 0.000 2.762 770 T HA 0.711 5.059 4.350 -0.003 0.000 0.301 770 T C -1.621 173.005 174.700 -0.122 0.000 1.299 770 T CA -0.723 61.356 62.100 -0.036 0.000 1.005 770 T CB 1.222 69.999 68.868 -0.152 0.000 1.377 770 T HN 0.512 nan 8.240 nan 0.000 0.504 771 F N 1.080 120.886 119.950 -0.240 0.000 2.607 771 F HA 0.707 5.232 4.527 -0.003 0.000 0.322 771 F C -1.132 174.498 175.800 -0.282 0.000 1.176 771 F CA -0.892 56.937 58.000 -0.284 0.000 0.977 771 F CB 1.922 40.809 39.000 -0.188 0.000 1.242 771 F HN 0.921 nan 8.300 nan 0.000 0.465 772 M N 6.968 125.981 119.600 -0.979 0.000 2.456 772 M HA 0.510 4.988 4.480 -0.003 0.000 0.324 772 M C -1.566 174.109 176.300 -1.042 0.000 1.124 772 M CA -1.271 53.532 55.300 -0.828 0.000 0.959 772 M CB 1.564 33.841 32.600 -0.539 0.000 1.692 772 M HN 0.730 nan 8.290 nan 0.000 0.444 773 L N 5.483 126.144 121.223 -0.936 0.000 2.462 773 L HA 0.294 4.633 4.340 -0.003 0.000 0.272 773 L C -0.931 175.657 176.870 -0.469 0.000 1.166 773 L CA 0.354 54.754 54.840 -0.733 0.000 0.880 773 L CB 0.104 41.626 42.059 -0.896 0.000 1.142 773 L HN 0.605 nan 8.230 nan 0.000 0.473 774 F N 4.493 124.182 119.950 -0.435 0.000 2.370 774 F HA 0.640 5.165 4.527 -0.003 0.000 0.319 774 F C 1.245 176.935 175.800 -0.183 0.000 1.129 774 F CA -0.960 56.861 58.000 -0.298 0.000 1.109 774 F CB 0.415 39.257 39.000 -0.263 0.000 1.262 774 F HN 0.790 nan 8.300 nan 0.000 0.534 775 G N 1.330 109.717 108.800 -0.688 0.000 2.337 775 G HA2 -0.369 3.590 3.960 -0.003 0.000 0.290 775 G HA3 -0.369 3.590 3.960 -0.003 0.000 0.290 775 G C -0.199 174.439 174.900 -0.437 0.000 1.003 775 G CA 0.678 45.380 45.100 -0.663 0.000 0.825 775 G HN 0.984 nan 8.290 nan 0.000 0.509 776 Y N -1.002 119.016 120.300 -0.470 0.000 2.298 776 Y HA 0.292 4.840 4.550 -0.003 0.000 0.329 776 Y C 1.913 177.667 175.900 -0.243 0.000 1.293 776 Y CA -0.310 57.581 58.100 -0.349 0.000 1.388 776 Y CB 1.125 39.398 38.460 -0.312 0.000 1.309 776 Y HN 0.281 nan 8.280 nan 0.000 0.544 777 V N -0.149 119.350 119.914 -0.690 0.000 3.217 777 V HA 0.013 4.131 4.120 -0.003 0.000 0.264 777 V C -0.072 175.853 176.094 -0.282 0.000 1.135 777 V CA 1.194 63.201 62.300 -0.488 0.000 1.142 777 V CB -0.566 30.901 31.823 -0.593 0.000 0.754 777 V HN 0.712 nan 8.190 nan 0.000 0.484 778 N N 1.101 119.690 118.700 -0.185 0.000 2.640 778 N HA 0.526 5.264 4.740 -0.003 0.000 0.262 778 N C -0.282 175.241 175.510 0.021 0.000 1.174 778 N CA 0.564 53.659 53.050 0.075 0.000 0.791 778 N CB 0.841 39.435 38.487 0.179 0.000 1.279 778 N HN 0.757 nan 8.380 nan 0.000 0.535 779 G N 2.806 111.366 108.800 -0.401 0.000 3.035 779 G HA2 -0.087 3.871 3.960 -0.003 0.000 0.674 779 G HA3 -0.087 3.871 3.960 -0.003 0.000 0.674 779 G C -0.796 173.811 174.900 -0.488 0.000 1.159 779 G CA -0.706 43.766 45.100 -1.046 0.000 1.098 779 G HN 0.469 nan 8.290 nan 0.000 0.473 780 I N 3.164 123.481 120.570 -0.423 0.000 2.291 780 I HA 0.188 4.356 4.170 -0.003 0.000 0.290 780 I C 1.611 177.599 176.117 -0.214 0.000 1.050 780 I CA -0.779 60.376 61.300 -0.241 0.000 1.245 780 I CB 1.661 39.566 38.000 -0.158 0.000 1.405 780 I HN 0.548 nan 8.210 nan 0.000 0.478 781 Q N 4.973 124.653 119.800 -0.200 0.000 2.135 781 Q HA -0.153 4.185 4.340 -0.003 0.000 0.204 781 Q C 1.998 177.940 176.000 -0.097 0.000 0.981 781 Q CA 2.122 57.820 55.803 -0.176 0.000 0.856 781 Q CB -0.010 28.612 28.738 -0.193 0.000 0.902 781 Q HN 0.940 nan 8.270 nan 0.000 0.425 782 G N 0.757 109.534 108.800 -0.039 0.000 2.499 782 G HA2 -0.261 3.698 3.960 -0.003 0.000 0.221 782 G HA3 -0.261 3.698 3.960 -0.003 0.000 0.221 782 G C 0.869 175.773 174.900 0.006 0.000 1.109 782 G CA 1.004 46.117 45.100 0.022 0.000 0.749 782 G HN 0.388 nan 8.290 nan 0.000 0.568 783 D N -0.100 120.287 120.400 -0.022 0.000 2.265 783 D HA -0.100 4.539 4.640 -0.003 0.000 0.208 783 D C 2.569 178.889 176.300 0.035 0.000 0.977 783 D CA 1.336 55.337 54.000 0.001 0.000 0.871 783 D CB -0.029 40.759 40.800 -0.020 0.000 0.925 783 D HN 0.451 nan 8.370 nan 0.000 0.485 784 V N -2.384 117.531 119.914 0.001 0.000 3.483 784 V HA 0.211 4.329 4.120 -0.003 0.000 0.301 784 V C 0.712 176.795 176.094 -0.018 0.000 1.389 784 V CA -0.113 62.199 62.300 0.020 0.000 1.101 784 V CB -0.547 31.257 31.823 -0.032 0.000 0.971 784 V HN 0.003 nan 8.190 nan 0.000 0.434 785 T N 0.433 114.955 114.554 -0.054 0.000 2.904 785 T HA 0.501 4.850 4.350 -0.003 0.000 0.290 785 T C 0.496 175.009 174.700 -0.312 0.000 1.018 785 T CA 0.482 62.505 62.100 -0.129 0.000 1.075 785 T CB 1.341 70.174 68.868 -0.057 0.000 0.986 785 T HN 0.686 nan 8.240 nan 0.000 0.523 786 T N -1.173 113.073 114.554 -0.513 0.000 2.849 786 T HA 0.342 4.690 4.350 -0.003 0.000 0.276 786 T C 0.427 174.857 174.700 -0.451 0.000 0.971 786 T CA -0.377 61.085 62.100 -1.063 0.000 0.949 786 T CB 0.745 69.025 68.868 -0.980 0.000 1.093 786 T HN 0.681 nan 8.240 nan 0.000 0.545 787 D N -1.997 118.227 120.400 -0.294 0.000 2.342 787 D HA 0.074 4.712 4.640 -0.003 0.000 0.221 787 D C -0.112 176.270 176.300 0.136 0.000 1.101 787 D CA -0.687 53.344 54.000 0.053 0.000 0.837 787 D CB -0.586 40.307 40.800 0.155 0.000 0.938 787 D HN 0.633 nan 8.370 nan 0.000 0.508 788 W N 2.466 123.745 121.300 -0.036 0.000 2.190 788 W HA 0.363 5.021 4.660 -0.003 0.000 0.330 788 W C 0.167 176.699 176.519 0.022 0.000 1.299 788 W CA 0.503 57.874 57.345 0.043 0.000 1.215 788 W CB 0.820 30.324 29.460 0.073 0.000 1.147 788 W HN 0.008 nan 8.180 nan 0.000 0.563 789 T N 2.099 116.095 114.554 -0.930 0.000 2.816 789 T HA 0.352 4.700 4.350 -0.003 0.000 0.299 789 T C -0.467 173.336 174.700 -1.495 0.000 1.230 789 T CA -1.023 60.607 62.100 -0.784 0.000 1.007 789 T CB 1.599 70.173 68.868 -0.490 0.000 1.289 789 T HN 0.512 nan 8.240 nan 0.000 0.508 790 D N -0.116 119.860 120.400 -0.707 0.000 2.478 790 D HA 0.194 4.832 4.640 -0.003 0.000 0.269 790 D C 1.658 177.777 176.300 -0.301 0.000 1.232 790 D CA -0.848 52.895 54.000 -0.429 0.000 1.059 790 D CB 0.561 41.392 40.800 0.051 0.000 1.104 790 D HN 0.852 nan 8.370 nan 0.000 0.566 791 R N -0.576 119.821 120.500 -0.171 0.000 2.185 791 R HA -0.175 4.164 4.340 -0.003 0.000 0.247 791 R C -0.031 176.149 176.300 -0.200 0.000 1.159 791 R CA 1.626 57.608 56.100 -0.196 0.000 0.988 791 R CB -0.466 29.686 30.300 -0.247 0.000 0.871 791 R HN 0.335 nan 8.270 nan 0.000 0.458 792 D N 0.660 120.967 120.400 -0.155 0.000 2.424 792 D HA 0.225 4.864 4.640 -0.003 0.000 0.220 792 D C 0.283 176.527 176.300 -0.094 0.000 1.150 792 D CA 0.061 53.979 54.000 -0.136 0.000 0.831 792 D CB 0.350 41.080 40.800 -0.116 0.000 0.981 792 D HN 0.329 nan 8.370 nan 0.000 0.500 793 I N 0.654 121.126 120.570 -0.164 0.000 5.852 793 I HA -0.247 3.922 4.170 -0.003 0.000 0.126 793 I C -0.594 175.396 176.117 -0.212 0.000 1.818 793 I CA 0.180 61.334 61.300 -0.244 0.000 2.038 793 I CB -1.142 36.709 38.000 -0.248 0.000 3.400 793 I HN 0.065 nan 8.210 nan 0.000 0.169 794 I N 2.960 123.476 120.570 -0.091 0.000 2.304 794 I HA 0.352 4.520 4.170 -0.003 0.000 0.291 794 I C -1.808 174.297 176.117 -0.019 0.000 1.018 794 I CA -2.124 59.210 61.300 0.057 0.000 1.260 794 I CB 0.574 38.739 38.000 0.274 0.000 1.390 794 I HN -0.169 nan 8.210 nan 0.000 0.475 795 P HA 0.021 nan 4.420 nan 0.000 0.271 795 P C -0.513 176.813 177.300 0.044 0.000 1.218 795 P CA 0.017 62.918 63.100 -0.331 0.000 0.780 795 P CB 0.334 31.402 31.700 -1.053 0.000 0.901 796 Y N 2.522 122.888 120.300 0.110 0.000 2.812 796 Y HA 0.126 4.675 4.550 -0.002 0.000 0.354 796 Y C 0.434 176.434 175.900 0.167 0.000 1.276 796 Y CA -0.594 57.680 58.100 0.290 0.000 1.639 796 Y CB -0.395 38.291 38.460 0.377 0.000 1.741 796 Y HN 0.393 nan 8.280 nan 0.000 0.479 797 Y N 0.721 121.160 120.300 0.231 0.000 2.256 797 Y HA -0.241 4.308 4.550 -0.003 0.000 0.288 797 Y C 1.753 177.680 175.900 0.045 0.000 1.155 797 Y CA 0.975 59.076 58.100 0.002 0.000 1.203 797 Y CB 0.146 38.477 38.460 -0.216 0.000 0.980 797 Y HN 0.258 nan 8.280 nan 0.000 0.530 798 K N 0.053 120.710 120.400 0.429 0.000 2.487 798 K HA 0.161 4.479 4.320 -0.003 0.000 0.192 798 K C 0.550 177.246 176.600 0.160 0.000 1.027 798 K CA 0.416 56.908 56.287 0.343 0.000 1.054 798 K CB -0.053 32.801 32.500 0.590 0.000 0.824 798 K HN 0.191 nan 8.250 nan 0.000 0.510 799 G N 0.795 109.283 108.800 -0.519 0.000 3.039 799 G HA2 0.335 4.293 3.960 -0.003 0.000 0.329 799 G HA3 0.335 4.293 3.960 -0.003 0.000 0.329 799 G C -0.950 173.753 174.900 -0.329 0.000 1.361 799 G CA -0.136 44.386 45.100 -0.964 0.000 1.088 799 G HN -0.003 nan 8.290 nan 0.000 0.501 800 T N 0.932 115.463 114.554 -0.039 0.000 2.942 800 T HA 0.604 4.952 4.350 -0.003 0.000 0.327 800 T C -1.845 172.939 174.700 0.141 0.000 1.360 800 T CA -0.573 61.603 62.100 0.127 0.000 1.055 800 T CB 1.331 70.171 68.868 -0.046 0.000 1.261 800 T HN 0.395 nan 8.240 nan 0.000 0.485 801 W N 1.724 123.100 121.300 0.126 0.000 2.882 801 W HA 0.669 5.327 4.660 -0.003 0.000 0.345 801 W C 0.188 176.761 176.519 0.091 0.000 1.125 801 W CA -0.816 56.637 57.345 0.180 0.000 1.167 801 W CB 2.268 31.872 29.460 0.240 0.000 1.431 801 W HN 1.125 nan 8.180 nan 0.000 0.543 802 G N 1.216 110.173 108.800 0.262 0.000 2.506 802 G HA2 0.308 4.267 3.960 -0.003 0.000 0.292 802 G HA3 0.308 4.267 3.960 -0.003 0.000 0.292 802 G C -1.940 172.979 174.900 0.032 0.000 1.425 802 G CA -0.645 44.404 45.100 -0.086 0.000 0.788 802 G HN 0.186 nan 8.290 nan 0.000 0.490 803 D N -0.484 119.731 120.400 -0.309 0.000 2.277 803 D HA 0.676 5.315 4.640 -0.003 0.000 0.250 803 D C -0.071 175.993 176.300 -0.394 0.000 1.032 803 D CA 0.040 53.930 54.000 -0.183 0.000 0.947 803 D CB 1.951 42.610 40.800 -0.235 0.000 1.159 803 D HN 0.303 nan 8.370 nan 0.000 0.460 804 I N 0.959 121.485 120.570 -0.073 0.000 2.533 804 I HA 0.393 4.561 4.170 -0.003 0.000 0.290 804 I C -0.104 176.046 176.117 0.055 0.000 1.056 804 I CA -0.739 60.494 61.300 -0.112 0.000 1.057 804 I CB 2.262 40.041 38.000 -0.368 0.000 1.240 804 I HN -0.002 nan 8.210 nan 0.000 0.423 805 R N 4.956 125.532 120.500 0.126 0.000 2.744 805 R HA 0.439 4.777 4.340 -0.003 0.000 0.279 805 R C -0.974 175.388 176.300 0.104 0.000 0.977 805 R CA -0.894 55.302 56.100 0.160 0.000 0.906 805 R CB 2.289 32.744 30.300 0.257 0.000 1.197 805 R HN 0.570 nan 8.270 nan 0.000 0.463 806 K N 2.619 123.066 120.400 0.078 0.000 2.322 806 K HA 0.142 4.460 4.320 -0.003 0.000 0.283 806 K C 0.032 176.660 176.600 0.046 0.000 1.042 806 K CA -0.297 56.020 56.287 0.050 0.000 0.958 806 K CB 1.253 33.775 32.500 0.036 0.000 0.984 806 K HN 0.432 nan 8.250 nan 0.000 0.473 807 V N 2.854 122.789 119.914 0.034 0.000 2.581 807 V HA 0.273 4.391 4.120 -0.003 0.000 0.240 807 V C 1.014 177.103 176.094 -0.008 0.000 1.054 807 V CA 1.023 63.331 62.300 0.014 0.000 1.076 807 V CB 0.209 32.034 31.823 0.004 0.000 0.748 807 V HN 1.055 nan 8.190 nan 0.000 0.474 808 G N -0.968 107.825 108.800 -0.013 0.000 2.325 808 G HA2 0.396 4.354 3.960 -0.003 0.000 0.295 808 G HA3 0.396 4.354 3.960 -0.003 0.000 0.295 808 G C -1.355 173.522 174.900 -0.038 0.000 1.274 808 G CA -0.046 45.036 45.100 -0.029 0.000 0.857 808 G HN 0.064 nan 8.290 nan 0.000 0.499 809 S N -0.767 114.900 115.700 -0.056 0.000 2.638 809 S HA 0.730 5.198 4.470 -0.003 0.000 0.298 809 S C -0.451 174.074 174.600 -0.126 0.000 1.111 809 S CA -0.391 57.769 58.200 -0.067 0.000 1.027 809 S CB 1.630 64.800 63.200 -0.050 0.000 1.064 809 S HN 0.655 nan 8.310 nan 0.000 0.525 810 M N 2.247 121.749 119.600 -0.162 0.000 1.980 810 M HA 0.368 4.846 4.480 -0.003 0.000 0.282 810 M C 0.546 176.731 176.300 -0.191 0.000 0.878 810 M CA -0.038 55.056 55.300 -0.343 0.000 0.900 810 M CB 0.413 32.514 32.600 -0.831 0.000 1.577 810 M HN 0.571 nan 8.290 nan 0.000 0.396 811 S N 1.165 116.793 115.700 -0.119 0.000 2.374 811 S HA -0.192 4.276 4.470 -0.003 0.000 0.227 811 S C 1.544 176.149 174.600 0.009 0.000 1.037 811 S CA 1.964 60.142 58.200 -0.037 0.000 1.024 811 S CB -0.120 63.060 63.200 -0.034 0.000 0.861 811 S HN 0.818 nan 8.310 nan 0.000 0.456 812 E N 0.672 120.858 120.200 -0.024 0.000 2.153 812 E HA -0.098 4.250 4.350 -0.003 0.000 0.194 812 E C 1.481 178.252 176.600 0.285 0.000 0.988 812 E CA 1.103 57.556 56.400 0.088 0.000 0.811 812 E CB -0.252 29.492 29.700 0.073 0.000 0.746 812 E HN 0.448 nan 8.360 nan 0.000 0.466 813 F N 0.823 120.818 119.950 0.075 0.000 2.206 813 F HA 0.073 4.599 4.527 -0.002 0.000 0.298 813 F C 1.962 177.859 175.800 0.161 0.000 1.090 813 F CA 0.916 58.987 58.000 0.119 0.000 1.323 813 F CB -0.686 38.428 39.000 0.190 0.000 1.028 813 F HN 0.062 nan 8.300 nan 0.000 0.492 814 K N 0.011 120.615 120.400 0.340 0.000 2.097 814 K HA -0.157 4.162 4.320 -0.003 0.000 0.205 814 K C 2.239 178.935 176.600 0.160 0.000 1.050 814 K CA 1.018 57.465 56.287 0.267 0.000 0.938 814 K CB -0.147 32.439 32.500 0.143 0.000 0.718 814 K HN 0.103 nan 8.250 nan 0.000 0.442 815 R N 0.796 121.367 120.500 0.118 0.000 2.115 815 R HA -0.095 4.244 4.340 -0.003 0.000 0.226 815 R C 1.862 178.181 176.300 0.032 0.000 1.100 815 R CA 1.917 58.055 56.100 0.064 0.000 0.980 815 R CB 0.077 30.409 30.300 0.055 0.000 0.875 815 R HN 0.299 nan 8.270 nan 0.000 0.445 816 T N -3.425 111.149 114.554 0.034 0.000 2.969 816 T HA 0.237 4.586 4.350 -0.003 0.000 0.250 816 T C 0.422 175.033 174.700 -0.148 0.000 1.021 816 T CA -0.346 61.732 62.100 -0.036 0.000 1.003 816 T CB 0.489 69.352 68.868 -0.008 0.000 1.040 816 T HN -0.107 nan 8.240 nan 0.000 0.492 817 V N 2.724 122.506 119.914 -0.220 0.000 2.439 817 V HA 0.581 4.699 4.120 -0.003 0.000 0.282 817 V C 0.325 175.963 176.094 -0.760 0.000 1.039 817 V CA -0.859 61.112 62.300 -0.548 0.000 0.913 817 V CB 1.371 32.741 31.823 -0.755 0.000 0.983 817 V HN 0.479 nan 8.190 nan 0.000 0.460 818 S N 3.906 119.201 115.700 -0.675 0.000 2.489 818 S HA 0.465 4.934 4.470 -0.003 0.000 0.277 818 S C -0.169 173.942 174.600 -0.813 0.000 1.230 818 S CA -0.354 57.531 58.200 -0.525 0.000 1.053 818 S CB 0.056 63.086 63.200 -0.283 0.000 0.955 818 S HN 0.473 nan 8.310 nan 0.000 0.488 819 F N 3.296 123.049 119.950 -0.328 0.000 2.772 819 F HA 0.406 4.932 4.527 -0.003 0.000 0.302 819 F C 1.015 176.722 175.800 -0.154 0.000 1.136 819 F CA -0.562 57.079 58.000 -0.597 0.000 1.322 819 F CB 0.196 38.861 39.000 -0.558 0.000 0.967 819 F HN 0.383 nan 8.300 nan 0.000 0.513 820 K N 0.001 120.435 120.400 0.055 0.000 2.138 820 K HA 0.246 4.565 4.320 -0.003 0.000 0.251 820 K C 0.749 177.462 176.600 0.189 0.000 1.015 820 K CA -0.445 55.904 56.287 0.105 0.000 0.917 820 K CB 0.851 33.369 32.500 0.029 0.000 1.021 820 K HN -0.010 nan 8.250 nan 0.000 0.485 821 S N 0.486 116.259 115.700 0.121 0.000 2.552 821 S HA -0.016 4.452 4.470 -0.003 0.000 0.289 821 S C 0.667 175.297 174.600 0.049 0.000 1.304 821 S CA 0.039 58.290 58.200 0.086 0.000 1.063 821 S CB 0.283 63.499 63.200 0.026 0.000 0.848 821 S HN 0.466 nan 8.310 nan 0.000 0.499 822 R N 2.302 122.809 120.500 0.011 0.000 2.393 822 R HA 0.186 4.525 4.340 -0.003 0.000 0.244 822 R C -0.273 176.022 176.300 -0.009 0.000 0.920 822 R CA -0.115 55.987 56.100 0.003 0.000 1.076 822 R CB 0.257 30.527 30.300 -0.049 0.000 1.119 822 R HN 0.340 nan 8.270 nan 0.000 0.524 823 R N 0.809 121.292 120.500 -0.028 0.000 2.198 823 R HA 0.151 4.489 4.340 -0.003 0.000 0.339 823 R C -0.940 175.348 176.300 -0.020 0.000 1.020 823 R CA -0.489 55.588 56.100 -0.040 0.000 0.864 823 R CB 0.126 30.392 30.300 -0.058 0.000 1.105 823 R HN -0.055 nan 8.270 nan 0.000 0.463 824 F N 2.276 122.128 119.950 -0.164 0.000 2.541 824 F HA 0.437 4.963 4.527 -0.002 0.000 0.378 824 F C 0.858 176.558 175.800 -0.167 0.000 1.068 824 F CA 1.059 58.946 58.000 -0.189 0.000 1.199 824 F CB 0.459 39.287 39.000 -0.286 0.000 1.091 824 F HN 0.571 nan 8.300 nan 0.000 0.555 825 G N 0.000 108.449 108.800 -0.585 0.000 5.446 825 G HA2 0.000 3.958 3.960 -0.003 0.000 0.244 825 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 825 G CA 0.000 44.913 45.100 -0.311 0.000 0.502 825 G HN 0.000 nan 8.290 nan 0.000 0.925