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 3ei4_1_C DATA FIRST_RESID 1 DATA SEQUENCE MSYNYVVTAQ KPTAVNGCVT GHFTSAEDLN LLIAKNTRLE IYVVTAEGLR DATA SEQUENCE PVKEVGMYGK IAVMELFRPK GESKDLLFIL TAKYNACILE YKQSGESIDI DATA SEQUENCE ITRAHGNVQD RIGRPSETGI IGIIDPECRM IGLRLYDGLF KVIPLDRDNK DATA SEQUENCE ELKAFNIRLE ELHVIDVKFL YGCQAPTICF VYQDPQGRHV KTYEVSLREK DATA SEQUENCE EFNKGPWKQE NVEAEASMVI AVPEPFGGAI IIGQESITYH NGDKYLAIAP DATA SEQUENCE PIIKQSTIVC HNRVDPNGSR YLLGDMEGRL FMLLLEKEEQ MDGTVTLKDL DATA SEQUENCE RVELLGETSI AECLTYLDNG VVFVGSRLGD SQLVKLNVDS NEQGSYVVAM DATA SEQUENCE ETFTNLGPIV DMCVVDLERQ GQGQLVTCSG AFKEGSLRII RNGIGIHEHA DATA SEQUENCE SIDLPGIKGL WPLRSDPNRE TYDTLVLSFV GQTRVLMLNG EEVEETELMG DATA SEQUENCE FVDDQQTFFC GNVAHQQLIQ ITSASVRLVS QEPKALVSEW KEPQAKNISV DATA SEQUENCE ASCNSSQVVV AVGRALYYLQ IHPQELRQIS HTEMEHEVAC LDITPLGDSN DATA SEQUENCE GLSPLCAIGL WTDISARILK LPSFELLHKE MLGGEIIPRS ILMTTFESSH DATA SEQUENCE YLLCALGDGA LFYFGLNIET GLLSDRKKVT LGTQPTVLRT FRSLSTTNVF DATA SEQUENCE ACSDRPTVIY SSNHKLVFSN VNLKEVNYMC PLNSDGYPDS LALANNSTLT DATA SEQUENCE IGTIDEIQKL HIRTVPLYES PRKICYQEVS QCFGVLSSRI EVQDTSGGTT DATA SEQUENCE ALRPSASTQA LSSSVSSSKL FSSSTAPHET SFGEEVEVHN LLIIDQHTFE DATA SEQUENCE VLHAHQFLQN EYALSLVSCK LGKDPNTYFI VGTAMVYPEE AEPKQGRIVV DATA SEQUENCE FQYSDGKLQT VAEKEVKGAV YSMVEFNGKL LASINSTVRL YEWTTEKDVR DATA SEQUENCE TECNHYNNIM ALYLKTKGDF ILVGDLMRSV LLLAYKPMEG NFEEIARDFN DATA SEQUENCE PNWMSAVEIL DDDNFLGAEN AFNLFVCQKD SAATTDEERQ HLQEVGLFHL DATA SEQUENCE GEFVNVFCHG SLVMQNLGET STPTQGSVLF GTVNGMIGLV TSLSESWYNL DATA SEQUENCE LLDMQNRLNK VIKSVGKIEH SFWRSFHTER KTEPATGFID GDLIESFLDI DATA SEQUENCE SRPKMQEVVA NLQYDDGSGM KREATADDLI KVVEELTRIH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.764 176.300 -0.893 0.000 1.140 1 M CA 0.000 55.002 55.300 -0.497 0.000 0.988 1 M CB 0.000 32.453 32.600 -0.244 0.000 1.302 2 S N 0.256 115.406 115.700 -0.916 0.000 4.221 2 S HA -0.018 4.447 4.470 -0.008 0.000 0.464 2 S C -2.030 171.980 174.600 -0.984 0.000 0.832 2 S CA -0.007 57.724 58.200 -0.782 0.000 1.171 2 S CB -1.655 61.212 63.200 -0.555 0.000 0.743 2 S HN 0.761 nan 8.310 nan 0.000 0.608 3 Y N 2.225 122.312 120.300 -0.356 0.000 2.393 3 Y HA 0.719 5.264 4.550 -0.008 0.000 0.341 3 Y C 0.621 176.335 175.900 -0.310 0.000 0.988 3 Y CA -1.072 56.765 58.100 -0.439 0.000 1.078 3 Y CB 1.304 39.494 38.460 -0.451 0.000 1.203 3 Y HN 0.383 nan 8.280 nan 0.000 0.453 4 N N 1.405 119.973 118.700 -0.221 0.000 2.265 4 N HA 0.275 5.010 4.740 -0.008 0.000 0.300 4 N C -2.022 173.451 175.510 -0.062 0.000 1.148 4 N CA -0.831 52.014 53.050 -0.342 0.000 0.772 4 N CB 2.721 40.583 38.487 -1.041 0.000 1.434 4 N HN 0.644 nan 8.380 nan 0.000 0.481 5 Y N 0.605 120.829 120.300 -0.127 0.000 2.346 5 Y HA 0.433 4.978 4.550 -0.008 0.000 0.332 5 Y C -1.247 174.664 175.900 0.017 0.000 0.985 5 Y CA -0.656 57.424 58.100 -0.033 0.000 1.112 5 Y CB 1.119 39.562 38.460 -0.029 0.000 1.170 5 Y HN 0.202 nan 8.280 nan 0.000 0.447 6 V N 7.082 126.791 119.914 -0.341 0.000 2.384 6 V HA 0.652 4.767 4.120 -0.008 0.000 0.287 6 V C -0.904 174.986 176.094 -0.340 0.000 1.020 6 V CA -0.911 61.279 62.300 -0.184 0.000 0.850 6 V CB 1.178 32.936 31.823 -0.109 0.000 0.987 6 V HN 0.564 nan 8.190 nan 0.000 0.436 7 V N 3.828 123.616 119.914 -0.211 0.000 2.686 7 V HA 0.475 4.590 4.120 -0.008 0.000 0.306 7 V C 0.187 176.152 176.094 -0.215 0.000 1.065 7 V CA -0.114 62.051 62.300 -0.225 0.000 0.894 7 V CB 2.801 34.516 31.823 -0.181 0.000 1.004 7 V HN 0.963 nan 8.190 nan 0.000 0.424 8 T N 6.739 121.184 114.554 -0.181 0.000 2.775 8 T HA 0.486 4.831 4.350 -0.008 0.000 0.281 8 T C 0.303 174.782 174.700 -0.368 0.000 0.908 8 T CA 0.486 62.472 62.100 -0.189 0.000 1.123 8 T CB 0.414 69.248 68.868 -0.057 0.000 0.879 8 T HN 1.048 nan 8.240 nan 0.000 0.547 9 A N 3.641 126.216 122.820 -0.408 0.000 2.354 9 A HA 0.612 4.927 4.320 -0.008 0.000 0.269 9 A C 0.699 178.192 177.584 -0.151 0.000 1.109 9 A CA -0.330 51.531 52.037 -0.293 0.000 0.800 9 A CB 0.331 19.221 19.000 -0.184 0.000 1.045 9 A HN 0.745 nan 8.150 nan 0.000 0.489 10 Q N 0.360 120.125 119.800 -0.058 0.000 1.173 10 Q HA -0.216 4.119 4.340 -0.008 0.000 0.334 10 Q C -0.557 175.425 176.000 -0.030 0.000 1.010 10 Q CA 2.312 58.094 55.803 -0.035 0.000 0.651 10 Q CB -0.963 27.750 28.738 -0.042 0.000 4.566 10 Q HN 1.035 nan 8.270 nan 0.000 0.499 11 K N -0.370 120.020 120.400 -0.016 0.000 2.841 11 K HA 0.205 4.520 4.320 -0.008 0.000 0.298 11 K C -2.857 173.750 176.600 0.013 0.000 1.137 11 K CA -0.553 55.736 56.287 0.003 0.000 0.937 11 K CB 1.061 33.565 32.500 0.007 0.000 1.377 11 K HN 0.495 nan 8.250 nan 0.000 0.390 12 P HA -0.074 nan 4.420 nan 0.000 0.264 12 P C 0.249 177.565 177.300 0.027 0.000 1.179 12 P CA 0.420 63.535 63.100 0.025 0.000 0.763 12 P CB 0.504 32.217 31.700 0.022 0.000 0.806 13 T N -1.652 112.922 114.554 0.034 0.000 3.010 13 T HA 0.360 4.705 4.350 -0.008 0.000 0.257 13 T C 0.836 175.572 174.700 0.059 0.000 1.020 13 T CA -0.133 61.996 62.100 0.048 0.000 0.938 13 T CB 0.093 68.991 68.868 0.049 0.000 1.049 13 T HN 0.488 nan 8.240 nan 0.000 0.522 14 A N 1.680 124.526 122.820 0.044 0.000 2.388 14 A HA 0.625 4.940 4.320 -0.008 0.000 0.257 14 A C 0.133 177.748 177.584 0.052 0.000 1.095 14 A CA -0.476 51.587 52.037 0.043 0.000 0.791 14 A CB 0.341 19.355 19.000 0.024 0.000 1.029 14 A HN 0.325 nan 8.150 nan 0.000 0.489 15 V N 3.561 123.517 119.914 0.070 0.000 2.432 15 V HA 0.117 4.232 4.120 -0.008 0.000 0.271 15 V C 0.374 176.498 176.094 0.050 0.000 1.046 15 V CA -0.402 61.952 62.300 0.089 0.000 0.945 15 V CB 0.795 32.717 31.823 0.166 0.000 0.992 15 V HN 0.891 nan 8.190 nan 0.000 0.471 16 N N 3.841 122.559 118.700 0.030 0.000 2.251 16 N HA 0.314 5.049 4.740 -0.008 0.000 0.217 16 N C 0.546 176.062 175.510 0.010 0.000 1.124 16 N CA 0.644 53.698 53.050 0.005 0.000 0.843 16 N CB 1.273 39.746 38.487 -0.022 0.000 1.024 16 N HN 0.950 nan 8.380 nan 0.000 0.501 17 G N 0.424 109.247 108.800 0.038 0.000 2.397 17 G HA2 0.127 4.082 3.960 -0.008 0.000 0.453 17 G HA3 0.127 4.082 3.960 -0.008 0.000 0.453 17 G C -0.942 173.998 174.900 0.066 0.000 1.579 17 G CA -0.956 44.170 45.100 0.043 0.000 0.906 17 G HN 0.242 nan 8.290 nan 0.000 0.675 18 C N 0.306 119.663 119.300 0.095 0.000 2.535 18 C HA 0.918 5.373 4.460 -0.008 0.000 0.319 18 C C -0.067 174.965 174.990 0.069 0.000 1.171 18 C CA -1.079 57.993 59.018 0.090 0.000 1.394 18 C CB 0.994 28.855 27.740 0.202 0.000 1.990 18 C HN 1.476 nan 8.230 nan 0.000 0.466 19 V N 2.069 121.999 119.914 0.026 0.000 2.864 19 V HA 0.848 4.963 4.120 -0.008 0.000 0.314 19 V C -0.064 176.035 176.094 0.008 0.000 1.073 19 V CA 0.368 62.688 62.300 0.035 0.000 0.956 19 V CB 2.383 34.228 31.823 0.036 0.000 1.023 19 V HN 1.177 nan 8.190 nan 0.000 0.435 20 T N 2.979 117.547 114.554 0.023 0.000 2.908 20 T HA 0.917 5.262 4.350 -0.008 0.000 0.290 20 T C -0.181 174.502 174.700 -0.029 0.000 1.034 20 T CA 0.445 62.535 62.100 -0.016 0.000 1.010 20 T CB 1.296 70.156 68.868 -0.012 0.000 1.068 20 T HN 1.620 nan 8.240 nan 0.000 0.481 21 G N 1.747 110.471 108.800 -0.126 0.000 2.351 21 G HA2 0.210 4.165 3.960 -0.008 0.000 0.279 21 G HA3 0.210 4.165 3.960 -0.008 0.000 0.279 21 G C -1.706 172.981 174.900 -0.356 0.000 1.297 21 G CA -0.737 44.240 45.100 -0.204 0.000 0.886 21 G HN 0.765 nan 8.290 nan 0.000 0.493 22 H N 0.297 119.420 119.070 0.088 0.000 2.328 22 H HA 0.429 4.979 4.556 -0.009 0.000 0.230 22 H C 0.583 175.959 175.328 0.080 0.000 1.481 22 H CA -0.490 55.591 56.048 0.055 0.000 1.306 22 H CB 0.585 30.356 29.762 0.015 0.000 1.531 22 H HN 0.349 nan 8.280 nan 0.000 0.533 23 F N 0.775 120.727 119.950 0.002 0.000 2.118 23 F HA -0.113 4.409 4.527 -0.008 0.000 0.293 23 F C 1.863 177.628 175.800 -0.059 0.000 1.102 23 F CA 1.375 59.376 58.000 0.003 0.000 1.247 23 F CB -0.109 38.910 39.000 0.032 0.000 1.017 23 F HN 0.222 nan 8.300 nan 0.000 0.475 24 T N -0.812 113.548 114.554 -0.323 0.000 2.639 24 T HA -0.134 4.211 4.350 -0.008 0.000 0.261 24 T C 1.905 176.299 174.700 -0.511 0.000 1.053 24 T CA 1.749 63.364 62.100 -0.807 0.000 1.158 24 T CB -0.541 67.878 68.868 -0.749 0.000 0.863 24 T HN 0.314 nan 8.240 nan 0.000 0.413 25 S N -1.224 114.321 115.700 -0.259 0.000 3.064 25 S HA 0.643 5.108 4.470 -0.008 0.000 0.170 25 S C 1.065 175.616 174.600 -0.082 0.000 0.713 25 S CA 0.663 58.765 58.200 -0.163 0.000 0.891 25 S CB 0.267 63.393 63.200 -0.124 0.000 0.772 25 S HN 0.541 nan 8.310 nan 0.000 0.701 26 A N 0.233 123.034 122.820 -0.031 0.000 3.091 26 A HA 0.114 4.429 4.320 -0.008 0.000 0.187 26 A C 1.278 178.800 177.584 -0.103 0.000 1.645 26 A CA 0.799 52.793 52.037 -0.072 0.000 1.370 26 A CB -1.182 17.760 19.000 -0.098 0.000 1.098 26 A HN 0.610 nan 8.150 nan 0.000 0.374 27 E N 0.715 120.885 120.200 -0.050 0.000 2.285 27 E HA -0.009 4.336 4.350 -0.008 0.000 0.194 27 E C -0.586 176.039 176.600 0.042 0.000 0.997 27 E CA 0.632 57.017 56.400 -0.025 0.000 0.845 27 E CB -0.228 29.451 29.700 -0.034 0.000 0.782 27 E HN 0.478 nan 8.360 nan 0.000 0.491 28 D N 1.556 121.992 120.400 0.060 0.000 2.345 28 D HA 0.202 4.837 4.640 -0.008 0.000 0.247 28 D C -0.708 175.695 176.300 0.170 0.000 1.108 28 D CA -0.314 53.724 54.000 0.064 0.000 0.894 28 D CB 1.528 42.315 40.800 -0.022 0.000 1.203 28 D HN 0.047 nan 8.370 nan 0.000 0.430 29 L N 3.648 124.900 121.223 0.049 0.000 2.257 29 L HA 0.262 4.597 4.340 -0.008 0.000 0.290 29 L C -0.465 176.355 176.870 -0.083 0.000 1.044 29 L CA -0.392 54.397 54.840 -0.085 0.000 0.810 29 L CB 0.388 42.404 42.059 -0.072 0.000 1.193 29 L HN 0.159 nan 8.230 nan 0.000 0.425 30 N N 4.495 123.130 118.700 -0.108 0.000 2.456 30 N HA 0.461 5.196 4.740 -0.008 0.000 0.296 30 N C -1.279 174.203 175.510 -0.046 0.000 1.102 30 N CA -0.538 52.494 53.050 -0.031 0.000 0.924 30 N CB 2.342 40.858 38.487 0.047 0.000 1.186 30 N HN 0.418 nan 8.380 nan 0.000 0.492 31 L N 1.869 123.082 121.223 -0.017 0.000 2.341 31 L HA 0.539 4.874 4.340 -0.008 0.000 0.278 31 L C -1.568 175.300 176.870 -0.002 0.000 1.005 31 L CA -0.582 54.219 54.840 -0.066 0.000 0.818 31 L CB 1.172 43.109 42.059 -0.202 0.000 1.259 31 L HN 0.328 nan 8.230 nan 0.000 0.418 32 L N 6.385 127.578 121.223 -0.050 0.000 2.319 32 L HA 0.546 4.881 4.340 -0.008 0.000 0.281 32 L C -0.483 176.348 176.870 -0.066 0.000 1.005 32 L CA 0.078 54.888 54.840 -0.050 0.000 0.828 32 L CB 1.500 43.486 42.059 -0.121 0.000 1.227 32 L HN 0.488 nan 8.230 nan 0.000 0.415 33 I N 2.769 123.315 120.570 -0.041 0.000 2.359 33 I HA 0.630 4.795 4.170 -0.008 0.000 0.294 33 I C 0.242 176.345 176.117 -0.024 0.000 0.987 33 I CA -0.661 60.614 61.300 -0.041 0.000 1.225 33 I CB 1.799 39.762 38.000 -0.062 0.000 1.366 33 I HN 0.655 nan 8.210 nan 0.000 0.466 34 A N 5.477 128.288 122.820 -0.015 0.000 2.260 34 A HA 0.468 4.783 4.320 -0.008 0.000 0.314 34 A C 0.399 177.976 177.584 -0.011 0.000 1.257 34 A CA -0.472 51.545 52.037 -0.033 0.000 0.871 34 A CB 0.965 19.936 19.000 -0.049 0.000 1.166 34 A HN 0.769 nan 8.150 nan 0.000 0.522 35 K N 0.953 121.341 120.400 -0.021 0.000 2.168 35 K HA 0.114 4.429 4.320 -0.008 0.000 0.201 35 K C 1.181 177.769 176.600 -0.020 0.000 1.049 35 K CA 1.659 57.944 56.287 -0.005 0.000 0.974 35 K CB 0.215 32.716 32.500 0.002 0.000 0.792 35 K HN 0.827 nan 8.250 nan 0.000 0.463 36 N N -2.903 115.771 118.700 -0.044 0.000 2.535 36 N HA -0.112 4.623 4.740 -0.008 0.000 0.317 36 N C 0.372 175.827 175.510 -0.092 0.000 0.622 36 N CA 1.252 54.265 53.050 -0.061 0.000 1.016 36 N CB -0.203 38.261 38.487 -0.038 0.000 2.143 36 N HN 0.021 nan 8.380 nan 0.000 1.529 37 T N -1.550 112.954 114.554 -0.082 0.000 3.054 37 T HA 0.489 4.834 4.350 -0.008 0.000 0.255 37 T C 0.193 174.811 174.700 -0.137 0.000 1.035 37 T CA -0.166 61.846 62.100 -0.146 0.000 0.941 37 T CB 0.279 69.085 68.868 -0.104 0.000 1.026 37 T HN 0.005 nan 8.240 nan 0.000 0.533 38 R N 1.272 121.715 120.500 -0.094 0.000 2.393 38 R HA 0.609 4.944 4.340 -0.008 0.000 0.310 38 R C -1.357 174.887 176.300 -0.093 0.000 0.968 38 R CA -0.984 55.063 56.100 -0.087 0.000 0.867 38 R CB 1.847 32.116 30.300 -0.052 0.000 1.124 38 R HN 0.250 nan 8.270 nan 0.000 0.450 39 L N 2.439 123.596 121.223 -0.110 0.000 2.298 39 L HA 0.373 4.708 4.340 -0.008 0.000 0.284 39 L C -0.540 176.265 176.870 -0.109 0.000 1.013 39 L CA -0.014 54.759 54.840 -0.112 0.000 0.824 39 L CB 1.278 43.252 42.059 -0.141 0.000 1.221 39 L HN 0.512 nan 8.230 nan 0.000 0.418 40 E N 5.972 126.119 120.200 -0.087 0.000 2.113 40 E HA 0.454 4.799 4.350 -0.008 0.000 0.273 40 E C -1.039 175.473 176.600 -0.146 0.000 0.924 40 E CA -0.365 55.951 56.400 -0.140 0.000 0.764 40 E CB 1.774 31.463 29.700 -0.018 0.000 1.104 40 E HN 0.530 nan 8.360 nan 0.000 0.406 41 I N 3.339 123.756 120.570 -0.255 0.000 2.377 41 I HA 0.342 4.507 4.170 -0.008 0.000 0.293 41 I C -0.739 175.184 176.117 -0.325 0.000 0.987 41 I CA -0.567 60.666 61.300 -0.111 0.000 1.185 41 I CB 0.565 38.638 38.000 0.121 0.000 1.341 41 I HN 0.442 nan 8.210 nan 0.000 0.455 42 Y N 3.872 124.141 120.300 -0.052 0.000 2.605 42 Y HA 0.694 5.239 4.550 -0.008 0.000 0.343 42 Y C -0.363 175.496 175.900 -0.069 0.000 1.036 42 Y CA -1.039 57.011 58.100 -0.082 0.000 1.065 42 Y CB 1.920 40.284 38.460 -0.161 0.000 1.288 42 Y HN 0.109 nan 8.280 nan 0.000 0.481 43 V N 2.029 122.006 119.914 0.105 0.000 2.555 43 V HA 0.410 4.525 4.120 -0.008 0.000 0.302 43 V C -0.794 175.313 176.094 0.022 0.000 1.038 43 V CA -1.103 61.215 62.300 0.030 0.000 0.887 43 V CB 1.757 33.576 31.823 -0.007 0.000 0.991 43 V HN 0.507 nan 8.190 nan 0.000 0.434 44 V N 3.959 123.865 119.914 -0.012 0.000 2.372 44 V HA 0.289 4.404 4.120 -0.008 0.000 0.261 44 V C 0.611 176.695 176.094 -0.018 0.000 1.055 44 V CA -0.161 62.121 62.300 -0.029 0.000 0.930 44 V CB 0.446 32.234 31.823 -0.059 0.000 1.031 44 V HN 1.017 nan 8.190 nan 0.000 0.479 45 T N 3.160 117.709 114.554 -0.007 0.000 2.881 45 T HA 0.483 4.828 4.350 -0.008 0.000 0.278 45 T C 1.606 176.303 174.700 -0.005 0.000 0.982 45 T CA 0.065 62.163 62.100 -0.004 0.000 0.989 45 T CB 1.634 70.504 68.868 0.004 0.000 1.058 45 T HN 0.686 nan 8.240 nan 0.000 0.529 46 A N 1.026 123.845 122.820 -0.003 0.000 1.997 46 A HA -0.178 4.137 4.320 -0.008 0.000 0.221 46 A C 2.175 179.761 177.584 0.004 0.000 1.172 46 A CA 1.986 54.023 52.037 -0.001 0.000 0.645 46 A CB -0.536 18.465 19.000 0.002 0.000 0.813 46 A HN 0.882 nan 8.150 nan 0.000 0.454 47 E N -1.356 118.850 120.200 0.009 0.000 2.372 47 E HA 0.355 4.700 4.350 -0.008 0.000 0.201 47 E C 0.958 177.574 176.600 0.027 0.000 0.938 47 E CA 1.206 57.617 56.400 0.017 0.000 0.944 47 E CB -0.253 29.458 29.700 0.018 0.000 0.937 47 E HN 0.531 nan 8.360 nan 0.000 0.495 48 G N 0.682 109.498 108.800 0.026 0.000 2.619 48 G HA2 0.369 4.324 3.960 -0.008 0.000 0.146 48 G HA3 0.369 4.324 3.960 -0.008 0.000 0.146 48 G C -1.579 173.330 174.900 0.016 0.000 1.192 48 G CA -0.602 44.522 45.100 0.041 0.000 1.063 48 G HN 0.008 nan 8.290 nan 0.000 0.538 49 L N 0.813 122.042 121.223 0.011 0.000 2.334 49 L HA 0.668 5.003 4.340 -0.008 0.000 0.276 49 L C 0.033 176.950 176.870 0.079 0.000 1.014 49 L CA -0.584 54.251 54.840 -0.009 0.000 0.815 49 L CB 1.590 43.517 42.059 -0.220 0.000 1.268 49 L HN 0.596 nan 8.230 nan 0.000 0.428 50 R N 3.613 124.182 120.500 0.115 0.000 2.360 50 R HA 0.446 4.781 4.340 -0.008 0.000 0.318 50 R C -2.461 173.898 176.300 0.099 0.000 0.950 50 R CA -1.606 54.550 56.100 0.093 0.000 0.837 50 R CB 1.899 32.221 30.300 0.037 0.000 1.165 50 R HN 0.288 nan 8.270 nan 0.000 0.458 51 P HA -0.013 nan 4.420 nan 0.000 0.276 51 P C 0.575 177.776 177.300 -0.164 0.000 1.253 51 P CA -0.191 62.779 63.100 -0.217 0.000 0.766 51 P CB 1.225 32.818 31.700 -0.179 0.000 0.845 52 V N 0.679 120.482 119.914 -0.185 0.000 2.788 52 V HA 0.364 4.479 4.120 -0.008 0.000 0.241 52 V C 0.421 176.485 176.094 -0.050 0.000 1.083 52 V CA 1.065 63.334 62.300 -0.051 0.000 1.103 52 V CB -0.545 31.308 31.823 0.049 0.000 0.800 52 V HN 0.310 nan 8.190 nan 0.000 0.476 53 K N 0.553 120.888 120.400 -0.108 0.000 2.561 53 K HA 0.419 4.734 4.320 -0.008 0.000 0.254 53 K C -1.450 175.049 176.600 -0.169 0.000 0.942 53 K CA -0.323 55.898 56.287 -0.111 0.000 0.818 53 K CB 1.879 34.332 32.500 -0.079 0.000 1.306 53 K HN 0.430 nan 8.250 nan 0.000 0.435 54 E N 3.789 123.894 120.200 -0.158 0.000 2.158 54 E HA 0.493 4.838 4.350 -0.008 0.000 0.271 54 E C -1.157 175.371 176.600 -0.120 0.000 0.911 54 E CA -0.808 55.505 56.400 -0.146 0.000 0.767 54 E CB 1.597 31.219 29.700 -0.130 0.000 1.120 54 E HN 0.374 nan 8.360 nan 0.000 0.405 55 V N 2.753 122.594 119.914 -0.122 0.000 2.628 55 V HA 0.582 4.697 4.120 -0.008 0.000 0.306 55 V C 0.344 176.356 176.094 -0.138 0.000 1.045 55 V CA -0.604 61.617 62.300 -0.132 0.000 0.905 55 V CB 2.027 33.765 31.823 -0.141 0.000 0.997 55 V HN 0.762 nan 8.190 nan 0.000 0.436 56 G N 3.676 112.385 108.800 -0.152 0.000 2.356 56 G HA2 0.658 4.613 3.960 -0.008 0.000 0.322 56 G HA3 0.658 4.613 3.960 -0.008 0.000 0.322 56 G C -0.781 173.952 174.900 -0.279 0.000 1.125 56 G CA -0.561 44.439 45.100 -0.168 0.000 0.885 56 G HN 0.514 nan 8.290 nan 0.000 0.467 57 M N 1.236 120.653 119.600 -0.306 0.000 2.456 57 M HA 0.257 4.732 4.480 -0.008 0.000 0.324 57 M C -0.916 175.059 176.300 -0.542 0.000 1.124 57 M CA -0.829 54.222 55.300 -0.416 0.000 0.959 57 M CB 2.420 34.821 32.600 -0.332 0.000 1.692 57 M HN 0.496 nan 8.290 nan 0.000 0.444 58 Y N 1.609 121.568 120.300 -0.568 0.000 2.734 58 Y HA 0.461 5.006 4.550 -0.008 0.000 0.353 58 Y C 0.905 175.984 175.900 -1.367 0.000 1.244 58 Y CA -0.411 57.014 58.100 -1.124 0.000 1.950 58 Y CB -0.984 37.210 38.460 -0.443 0.000 2.028 58 Y HN 0.718 nan 8.280 nan 0.000 0.421 59 G N 0.429 108.304 108.800 -1.541 0.000 2.377 59 G HA2 0.278 4.233 3.960 -0.008 0.000 0.297 59 G HA3 0.278 4.233 3.960 -0.008 0.000 0.297 59 G C -1.519 173.037 174.900 -0.573 0.000 1.547 59 G CA -1.330 43.212 45.100 -0.930 0.000 0.833 59 G HN 0.077 nan 8.290 nan 0.000 0.583 60 K N 0.742 121.026 120.400 -0.193 0.000 2.248 60 K HA 0.400 4.715 4.320 -0.008 0.000 0.281 60 K C 0.072 176.578 176.600 -0.156 0.000 1.054 60 K CA -0.426 55.784 56.287 -0.128 0.000 0.903 60 K CB 1.782 34.233 32.500 -0.082 0.000 1.077 60 K HN 0.356 nan 8.250 nan 0.000 0.474 61 I N 3.150 123.625 120.570 -0.159 0.000 2.505 61 I HA -0.092 4.073 4.170 -0.008 0.000 0.287 61 I C 1.062 177.104 176.117 -0.125 0.000 1.104 61 I CA 0.295 61.502 61.300 -0.155 0.000 1.387 61 I CB 1.054 38.966 38.000 -0.146 0.000 1.404 61 I HN 0.820 nan 8.210 nan 0.000 0.528 62 A N 6.375 129.118 122.820 -0.128 0.000 1.938 62 A HA 0.320 4.635 4.320 -0.008 0.000 0.207 62 A C 0.596 178.144 177.584 -0.059 0.000 1.292 62 A CA 0.396 52.377 52.037 -0.092 0.000 0.700 62 A CB 0.392 19.331 19.000 -0.100 0.000 0.947 62 A HN 0.416 nan 8.150 nan 0.000 0.476 63 V N 0.536 120.406 119.914 -0.074 0.000 2.495 63 V HA 0.562 4.677 4.120 -0.008 0.000 0.298 63 V C -0.474 175.576 176.094 -0.075 0.000 1.031 63 V CA -0.168 62.124 62.300 -0.014 0.000 0.871 63 V CB 1.370 33.263 31.823 0.117 0.000 0.988 63 V HN 0.546 nan 8.190 nan 0.000 0.432 64 M N 4.606 124.203 119.600 -0.005 0.000 2.031 64 M HA 0.541 5.016 4.480 -0.008 0.000 0.273 64 M C -1.515 174.829 176.300 0.073 0.000 0.904 64 M CA -0.189 55.099 55.300 -0.020 0.000 0.963 64 M CB 1.082 33.646 32.600 -0.060 0.000 1.707 64 M HN 0.605 nan 8.290 nan 0.000 0.427 65 E N 4.437 124.741 120.200 0.174 0.000 2.248 65 E HA 0.509 4.854 4.350 -0.008 0.000 0.267 65 E C -1.364 175.424 176.600 0.313 0.000 0.877 65 E CA -0.587 55.950 56.400 0.228 0.000 0.759 65 E CB 3.020 32.869 29.700 0.248 0.000 1.182 65 E HN 0.768 nan 8.360 nan 0.000 0.418 66 L N 3.530 124.918 121.223 0.275 0.000 2.334 66 L HA 0.567 4.902 4.340 -0.008 0.000 0.277 66 L C -0.210 176.935 176.870 0.457 0.000 1.075 66 L CA -0.743 54.294 54.840 0.329 0.000 0.804 66 L CB 0.372 42.541 42.059 0.184 0.000 1.174 66 L HN 0.488 nan 8.230 nan 0.000 0.438 67 F N 0.546 120.591 119.950 0.158 0.000 2.678 67 F HA 0.633 5.154 4.527 -0.009 0.000 0.308 67 F C -0.907 174.976 175.800 0.138 0.000 1.118 67 F CA -1.184 56.900 58.000 0.141 0.000 0.959 67 F CB 1.628 40.697 39.000 0.115 0.000 1.305 67 F HN 0.257 nan 8.300 nan 0.000 0.443 68 R N 3.059 123.599 120.500 0.067 0.000 2.358 68 R HA 0.557 4.892 4.340 -0.008 0.000 0.309 68 R C -2.961 173.367 176.300 0.046 0.000 1.026 68 R CA -1.834 54.246 56.100 -0.033 0.000 0.909 68 R CB 1.463 31.785 30.300 0.037 0.000 1.153 68 R HN 0.460 nan 8.270 nan 0.000 0.515 69 P HA 0.132 nan 4.420 nan 0.000 0.274 69 P C -1.017 176.308 177.300 0.042 0.000 1.231 69 P CA -0.538 62.611 63.100 0.081 0.000 0.790 69 P CB 0.744 32.500 31.700 0.092 0.000 0.951 70 K N 0.965 121.396 120.400 0.051 0.000 2.448 70 K HA 0.327 4.642 4.320 -0.008 0.000 0.278 70 K C 1.089 177.702 176.600 0.022 0.000 1.009 70 K CA 1.297 57.604 56.287 0.033 0.000 0.995 70 K CB -0.491 32.030 32.500 0.034 0.000 0.917 70 K HN 0.811 nan 8.250 nan 0.000 0.481 71 G N 2.306 111.113 108.800 0.011 0.000 2.182 71 G HA2 -0.201 3.754 3.960 -0.008 0.000 0.248 71 G HA3 -0.201 3.754 3.960 -0.008 0.000 0.248 71 G C -0.645 174.253 174.900 -0.003 0.000 1.042 71 G CA -0.280 44.822 45.100 0.004 0.000 0.775 71 G HN 0.520 nan 8.290 nan 0.000 0.501 72 E N -0.047 120.146 120.200 -0.012 0.000 2.246 72 E HA 0.420 4.765 4.350 -0.008 0.000 0.266 72 E C 1.063 177.642 176.600 -0.035 0.000 0.880 72 E CA -0.034 56.349 56.400 -0.028 0.000 0.762 72 E CB 1.479 31.151 29.700 -0.047 0.000 1.180 72 E HN 0.392 nan 8.360 nan 0.000 0.416 73 S N 2.093 117.770 115.700 -0.039 0.000 2.515 73 S HA -0.076 4.389 4.470 -0.008 0.000 0.231 73 S C 0.649 175.217 174.600 -0.055 0.000 0.987 73 S CA 0.601 58.773 58.200 -0.046 0.000 0.936 73 S CB -0.281 62.892 63.200 -0.046 0.000 0.766 73 S HN 0.500 nan 8.310 nan 0.000 0.528 74 K N -0.231 120.135 120.400 -0.056 0.000 2.522 74 K HA 0.522 4.837 4.320 -0.008 0.000 0.275 74 K C -2.226 174.350 176.600 -0.039 0.000 1.006 74 K CA -1.080 55.179 56.287 -0.047 0.000 0.890 74 K CB 0.463 32.916 32.500 -0.079 0.000 1.475 74 K HN -0.227 nan 8.250 nan 0.000 0.441 75 D N 1.326 121.739 120.400 0.023 0.000 2.424 75 D HA 0.212 4.847 4.640 -0.008 0.000 0.244 75 D C -0.123 176.199 176.300 0.037 0.000 1.134 75 D CA 0.045 54.060 54.000 0.025 0.000 0.881 75 D CB 0.521 41.411 40.800 0.151 0.000 1.191 75 D HN 0.320 nan 8.370 nan 0.000 0.445 76 L N 1.412 122.507 121.223 -0.214 0.000 2.387 76 L HA 0.453 4.788 4.340 -0.008 0.000 0.266 76 L C -0.216 176.705 176.870 0.084 0.000 1.059 76 L CA -1.170 53.595 54.840 -0.125 0.000 0.801 76 L CB 0.753 42.531 42.059 -0.470 0.000 1.223 76 L HN 0.158 nan 8.230 nan 0.000 0.456 77 L N 1.135 122.559 121.223 0.335 0.000 2.329 77 L HA 0.481 4.816 4.340 -0.008 0.000 0.279 77 L C -1.039 176.126 176.870 0.491 0.000 1.014 77 L CA -0.050 54.961 54.840 0.285 0.000 0.814 77 L CB 1.406 43.395 42.059 -0.118 0.000 1.257 77 L HN 0.330 nan 8.230 nan 0.000 0.424 78 F N 6.407 126.538 119.950 0.302 0.000 2.426 78 F HA 0.675 5.197 4.527 -0.008 0.000 0.348 78 F C -1.141 174.676 175.800 0.029 0.000 1.124 78 F CA -0.719 57.359 58.000 0.130 0.000 1.008 78 F CB 0.848 39.807 39.000 -0.069 0.000 1.139 78 F HN 0.229 nan 8.300 nan 0.000 0.452 79 I N 7.204 127.267 120.570 -0.845 0.000 2.474 79 I HA 0.395 4.560 4.170 -0.008 0.000 0.294 79 I C -1.298 174.227 176.117 -0.986 0.000 1.005 79 I CA -0.938 59.916 61.300 -0.744 0.000 1.113 79 I CB 1.628 39.412 38.000 -0.360 0.000 1.289 79 I HN 0.553 nan 8.210 nan 0.000 0.436 80 L N 5.730 126.541 121.223 -0.688 0.000 2.333 80 L HA 0.542 4.877 4.340 -0.008 0.000 0.280 80 L C 0.098 176.841 176.870 -0.213 0.000 1.004 80 L CA 0.083 54.703 54.840 -0.366 0.000 0.820 80 L CB 1.813 43.775 42.059 -0.162 0.000 1.247 80 L HN 0.578 nan 8.230 nan 0.000 0.416 81 T N 3.538 117.998 114.554 -0.156 0.000 2.913 81 T HA 0.371 4.716 4.350 -0.008 0.000 0.287 81 T C 1.261 175.846 174.700 -0.191 0.000 1.008 81 T CA 0.207 62.220 62.100 -0.146 0.000 1.067 81 T CB 1.555 70.371 68.868 -0.087 0.000 0.996 81 T HN 0.749 nan 8.240 nan 0.000 0.513 82 A N 1.662 124.359 122.820 -0.206 0.000 2.178 82 A HA -0.025 4.290 4.320 -0.008 0.000 0.218 82 A C 1.801 179.078 177.584 -0.510 0.000 1.157 82 A CA 1.100 52.947 52.037 -0.318 0.000 0.689 82 A CB -0.285 18.608 19.000 -0.177 0.000 0.787 82 A HN 0.686 nan 8.150 nan 0.000 0.465 83 K N -1.284 118.931 120.400 -0.308 0.000 2.410 83 K HA 0.198 4.513 4.320 -0.008 0.000 0.200 83 K C -0.924 175.661 176.600 -0.024 0.000 1.023 83 K CA -0.202 55.939 56.287 -0.243 0.000 1.149 83 K CB -0.112 32.341 32.500 -0.078 0.000 0.859 83 K HN 0.575 nan 8.250 nan 0.000 0.514 84 Y N -0.902 119.434 120.300 0.060 0.000 4.032 84 Y HA -0.273 4.272 4.550 -0.009 0.000 0.230 84 Y C -0.614 175.299 175.900 0.021 0.000 1.202 84 Y CA -0.233 57.887 58.100 0.033 0.000 1.878 84 Y CB -2.715 35.774 38.460 0.048 0.000 1.586 84 Y HN 0.216 nan 8.280 nan 0.000 0.673 85 N N 1.224 119.984 118.700 0.101 0.000 2.408 85 N HA 0.604 5.339 4.740 -0.008 0.000 0.257 85 N C -0.114 175.388 175.510 -0.013 0.000 1.064 85 N CA 0.228 53.308 53.050 0.050 0.000 0.952 85 N CB 1.060 39.583 38.487 0.060 0.000 1.093 85 N HN 0.411 nan 8.380 nan 0.000 0.490 86 A N 1.611 124.437 122.820 0.010 0.000 2.320 86 A HA 0.831 5.146 4.320 -0.008 0.000 0.334 86 A C -0.298 177.297 177.584 0.019 0.000 1.147 86 A CA -0.646 51.380 52.037 -0.019 0.000 0.820 86 A CB 0.433 19.524 19.000 0.151 0.000 1.218 86 A HN 0.905 nan 8.150 nan 0.000 0.482 87 C N 0.716 119.996 119.300 -0.033 0.000 3.283 87 C HA 0.655 5.110 4.460 -0.008 0.000 0.359 87 C C -1.196 173.876 174.990 0.137 0.000 1.160 87 C CA -0.939 58.129 59.018 0.083 0.000 1.232 87 C CB 0.004 27.774 27.740 0.050 0.000 1.571 87 C HN 0.683 nan 8.230 nan 0.000 0.522 88 I N 2.637 123.350 120.570 0.238 0.000 2.359 88 I HA 0.619 4.784 4.170 -0.008 0.000 0.294 88 I C -0.068 176.182 176.117 0.222 0.000 0.987 88 I CA -0.444 61.050 61.300 0.323 0.000 1.225 88 I CB 1.174 39.409 38.000 0.392 0.000 1.366 88 I HN 0.702 nan 8.210 nan 0.000 0.466 89 L N 4.986 126.352 121.223 0.239 0.000 2.370 89 L HA 0.582 4.917 4.340 -0.008 0.000 0.266 89 L C -0.210 176.848 176.870 0.313 0.000 1.002 89 L CA -0.624 54.340 54.840 0.207 0.000 0.818 89 L CB 2.790 44.938 42.059 0.150 0.000 1.325 89 L HN 0.586 nan 8.230 nan 0.000 0.418 90 E N 1.186 121.515 120.200 0.214 0.000 2.256 90 E HA 0.240 4.585 4.350 -0.008 0.000 0.268 90 E C -1.833 174.733 176.600 -0.057 0.000 0.877 90 E CA -0.671 55.783 56.400 0.090 0.000 0.757 90 E CB 2.175 31.890 29.700 0.025 0.000 1.183 90 E HN 0.495 nan 8.360 nan 0.000 0.418 91 Y N 4.077 124.054 120.300 -0.537 0.000 2.465 91 Y HA 0.172 4.717 4.550 -0.008 0.000 0.331 91 Y C -0.502 175.223 175.900 -0.291 0.000 1.102 91 Y CA 0.361 58.142 58.100 -0.532 0.000 1.358 91 Y CB 0.480 38.364 38.460 -0.961 0.000 1.213 91 Y HN 0.224 nan 8.280 nan 0.000 0.525 92 K N 6.008 126.362 120.400 -0.077 0.000 2.507 92 K HA 0.193 4.508 4.320 -0.008 0.000 0.251 92 K C -1.538 175.065 176.600 0.005 0.000 0.943 92 K CA -0.762 55.528 56.287 0.005 0.000 0.794 92 K CB 2.054 34.523 32.500 -0.052 0.000 1.188 92 K HN 0.711 nan 8.250 nan 0.000 0.428 93 Q N 1.413 121.264 119.800 0.086 0.000 2.357 93 Q HA 0.279 4.614 4.340 -0.008 0.000 0.266 93 Q C -0.933 175.075 176.000 0.013 0.000 1.021 93 Q CA -0.266 55.575 55.803 0.064 0.000 0.784 93 Q CB 1.092 29.912 28.738 0.135 0.000 1.243 93 Q HN 0.426 nan 8.270 nan 0.000 0.465 94 S N 3.381 119.075 115.700 -0.010 0.000 4.087 94 S HA 0.280 4.745 4.470 -0.008 0.000 0.213 94 S C 0.929 175.521 174.600 -0.013 0.000 1.415 94 S CA 0.308 58.498 58.200 -0.016 0.000 0.893 94 S CB 0.120 63.305 63.200 -0.025 0.000 1.529 94 S HN 1.023 nan 8.310 nan 0.000 0.457 95 G N 2.977 111.772 108.800 -0.009 0.000 5.359 95 G HA2 -0.328 3.626 3.960 -0.008 0.000 0.333 95 G HA3 -0.328 3.626 3.960 -0.008 0.000 0.333 95 G C 0.648 175.544 174.900 -0.007 0.000 1.365 95 G CA 0.604 45.699 45.100 -0.009 0.000 1.008 95 G HN 0.574 nan 8.290 nan 0.000 0.816 96 E N 0.625 120.819 120.200 -0.011 0.000 2.572 96 E HA 0.275 4.620 4.350 -0.008 0.000 0.220 96 E C 0.296 176.886 176.600 -0.017 0.000 0.945 96 E CA 0.460 56.853 56.400 -0.012 0.000 1.070 96 E CB 0.955 30.645 29.700 -0.016 0.000 1.090 96 E HN 0.369 nan 8.360 nan 0.000 0.506 97 S N 2.735 118.421 115.700 -0.024 0.000 2.430 97 S HA 0.331 4.796 4.470 -0.008 0.000 0.289 97 S C 0.399 174.967 174.600 -0.054 0.000 1.143 97 S CA -0.495 57.681 58.200 -0.040 0.000 1.067 97 S CB 0.816 63.990 63.200 -0.044 0.000 0.964 97 S HN 0.077 nan 8.310 nan 0.000 0.485 98 I N 3.707 124.229 120.570 -0.080 0.000 2.371 98 I HA 0.389 4.554 4.170 -0.008 0.000 0.290 98 I C 0.031 176.020 176.117 -0.213 0.000 1.028 98 I CA -0.113 61.092 61.300 -0.159 0.000 1.345 98 I CB 0.536 38.433 38.000 -0.171 0.000 1.407 98 I HN 0.473 nan 8.210 nan 0.000 0.501 99 D N 6.437 126.666 120.400 -0.285 0.000 2.964 99 D HA 0.414 5.049 4.640 -0.008 0.000 0.234 99 D C -0.563 175.568 176.300 -0.282 0.000 1.223 99 D CA -0.255 53.607 54.000 -0.229 0.000 0.889 99 D CB 2.990 43.705 40.800 -0.141 0.000 1.609 99 D HN 0.134 nan 8.370 nan 0.000 0.523 100 I N 3.292 123.736 120.570 -0.210 0.000 2.312 100 I HA 0.363 4.528 4.170 -0.008 0.000 0.290 100 I C 0.527 176.595 176.117 -0.082 0.000 1.008 100 I CA -0.705 60.515 61.300 -0.133 0.000 1.226 100 I CB 0.689 38.639 38.000 -0.083 0.000 1.371 100 I HN 0.278 nan 8.210 nan 0.000 0.468 101 I N 2.195 122.736 120.570 -0.048 0.000 2.412 101 I HA 0.467 4.632 4.170 -0.008 0.000 0.296 101 I C 0.297 176.412 176.117 -0.003 0.000 0.987 101 I CA -0.505 60.774 61.300 -0.034 0.000 1.180 101 I CB 1.607 39.589 38.000 -0.031 0.000 1.340 101 I HN 0.319 nan 8.210 nan 0.000 0.455 102 T N 6.094 120.634 114.554 -0.023 0.000 2.855 102 T HA 0.239 4.584 4.350 -0.008 0.000 0.290 102 T C 1.216 175.939 174.700 0.039 0.000 0.941 102 T CA -0.365 61.731 62.100 -0.008 0.000 1.030 102 T CB 0.275 69.084 68.868 -0.099 0.000 0.935 102 T HN 0.528 nan 8.240 nan 0.000 0.564 103 R N 2.077 122.629 120.500 0.085 0.000 2.064 103 R HA 0.133 4.468 4.340 -0.008 0.000 0.228 103 R C 0.939 177.322 176.300 0.137 0.000 1.144 103 R CA 0.729 56.892 56.100 0.104 0.000 0.932 103 R CB -0.186 30.189 30.300 0.124 0.000 0.833 103 R HN 0.620 nan 8.270 nan 0.000 0.429 104 A N 1.327 124.252 122.820 0.176 0.000 2.401 104 A HA 0.578 4.893 4.320 -0.008 0.000 0.310 104 A C -1.029 176.704 177.584 0.249 0.000 1.075 104 A CA -0.648 51.507 52.037 0.196 0.000 0.746 104 A CB 1.397 20.492 19.000 0.160 0.000 1.277 104 A HN 0.559 nan 8.150 nan 0.000 0.425 105 H N -0.057 119.047 119.070 0.057 0.000 3.079 105 H HA 0.770 5.321 4.556 -0.008 0.000 0.356 105 H C -0.663 174.680 175.328 0.025 0.000 1.221 105 H CA -0.310 55.761 56.048 0.039 0.000 1.185 105 H CB 1.289 31.062 29.762 0.019 0.000 1.882 105 H HN 1.590 nan 8.280 nan 0.000 0.543 106 G N 1.133 109.833 108.800 -0.166 0.000 2.466 106 G HA2 0.121 4.076 3.960 -0.008 0.000 0.291 106 G HA3 0.121 4.076 3.960 -0.008 0.000 0.291 106 G C -1.714 173.142 174.900 -0.074 0.000 1.460 106 G CA -0.988 43.985 45.100 -0.212 0.000 0.791 106 G HN 0.632 nan 8.290 nan 0.000 0.505 107 N N 0.867 119.514 118.700 -0.088 0.000 2.500 107 N HA 0.210 4.945 4.740 -0.008 0.000 0.236 107 N C 1.389 176.896 175.510 -0.006 0.000 1.022 107 N CA -0.126 52.899 53.050 -0.042 0.000 0.935 107 N CB 1.559 39.970 38.487 -0.126 0.000 1.147 107 N HN 0.740 nan 8.380 nan 0.000 0.512 108 V N 1.424 121.359 119.914 0.035 0.000 3.630 108 V HA 0.021 4.136 4.120 -0.008 0.000 0.273 108 V C 1.000 177.074 176.094 -0.034 0.000 1.248 108 V CA -0.074 62.228 62.300 0.003 0.000 1.170 108 V CB -1.192 30.638 31.823 0.012 0.000 0.899 108 V HN 0.652 nan 8.190 nan 0.000 0.457 109 Q N 0.448 120.238 119.800 -0.017 0.000 2.395 109 Q HA 0.143 4.478 4.340 -0.008 0.000 0.271 109 Q C -0.568 175.412 176.000 -0.033 0.000 1.026 109 Q CA -0.179 55.552 55.803 -0.120 0.000 0.900 109 Q CB 0.450 29.188 28.738 -0.001 0.000 1.266 109 Q HN 0.446 nan 8.270 nan 0.000 0.430 110 D N 1.204 121.617 120.400 0.021 0.000 2.371 110 D HA 0.061 4.696 4.640 -0.008 0.000 0.242 110 D C 0.475 176.739 176.300 -0.059 0.000 1.218 110 D CA -0.358 53.628 54.000 -0.023 0.000 0.945 110 D CB 0.774 41.516 40.800 -0.097 0.000 1.137 110 D HN 0.462 nan 8.370 nan 0.000 0.464 111 R N 0.023 120.483 120.500 -0.065 0.000 2.320 111 R HA 0.214 4.549 4.340 -0.008 0.000 0.211 111 R C -0.695 175.562 176.300 -0.072 0.000 0.931 111 R CA 0.010 56.085 56.100 -0.042 0.000 1.071 111 R CB -1.003 29.283 30.300 -0.023 0.000 1.025 111 R HN 0.408 nan 8.270 nan 0.000 0.495 112 I N -5.090 115.383 120.570 -0.161 0.000 3.021 112 I HA 0.687 4.852 4.170 -0.008 0.000 0.305 112 I C -0.471 175.381 176.117 -0.443 0.000 1.434 112 I CA -1.039 60.141 61.300 -0.201 0.000 0.969 112 I CB 1.548 39.456 38.000 -0.153 0.000 1.328 112 I HN 0.004 nan 8.210 nan 0.000 0.486 113 G N 1.866 110.429 108.800 -0.396 0.000 3.014 113 G HA2 0.359 4.314 3.960 -0.008 0.000 0.683 113 G HA3 0.359 4.314 3.960 -0.008 0.000 0.683 113 G C -1.152 173.543 174.900 -0.341 0.000 1.271 113 G CA -0.871 43.861 45.100 -0.614 0.000 0.843 113 G HN 1.116 nan 8.290 nan 0.000 0.612 114 R N 2.228 122.698 120.500 -0.049 0.000 2.297 114 R HA 0.593 4.928 4.340 -0.008 0.000 0.308 114 R C -2.703 173.799 176.300 0.337 0.000 1.029 114 R CA -1.722 54.463 56.100 0.142 0.000 0.929 114 R CB 1.065 31.415 30.300 0.082 0.000 1.046 114 R HN 0.237 nan 8.270 nan 0.000 0.461 115 P HA 0.012 nan 4.420 nan 0.000 0.266 115 P C -0.535 176.876 177.300 0.185 0.000 1.195 115 P CA 0.257 63.540 63.100 0.304 0.000 0.768 115 P CB 0.517 32.381 31.700 0.272 0.000 0.838 116 S N 1.793 117.575 115.700 0.137 0.000 2.572 116 S HA 0.009 4.474 4.470 -0.008 0.000 0.279 116 S C 1.318 175.970 174.600 0.087 0.000 1.341 116 S CA -0.442 57.822 58.200 0.106 0.000 1.043 116 S CB 0.269 63.527 63.200 0.097 0.000 0.887 116 S HN 0.455 nan 8.310 nan 0.000 0.516 117 E N 1.433 121.674 120.200 0.067 0.000 2.160 117 E HA -0.138 4.207 4.350 -0.008 0.000 0.195 117 E C 1.261 177.899 176.600 0.064 0.000 0.991 117 E CA 1.512 57.940 56.400 0.047 0.000 0.810 117 E CB -0.318 29.392 29.700 0.016 0.000 0.742 117 E HN 0.675 nan 8.360 nan 0.000 0.466 118 T N -0.220 114.389 114.554 0.091 0.000 3.148 118 T HA 0.257 4.602 4.350 -0.008 0.000 0.253 118 T C 0.778 175.514 174.700 0.060 0.000 1.134 118 T CA 0.279 62.429 62.100 0.084 0.000 1.051 118 T CB 0.298 69.229 68.868 0.106 0.000 0.959 118 T HN 0.416 nan 8.240 nan 0.000 0.525 119 G N 1.647 110.483 108.800 0.060 0.000 2.728 119 G HA2 -0.150 3.805 3.960 -0.008 0.000 0.294 119 G HA3 -0.150 3.805 3.960 -0.008 0.000 0.294 119 G C -0.564 174.359 174.900 0.038 0.000 1.342 119 G CA -0.961 44.169 45.100 0.050 0.000 0.866 119 G HN 0.440 nan 8.290 nan 0.000 0.534 120 I N 0.512 121.101 120.570 0.030 0.000 2.556 120 I HA 0.335 4.500 4.170 -0.008 0.000 0.284 120 I C 0.787 176.912 176.117 0.013 0.000 1.114 120 I CA 0.223 61.535 61.300 0.019 0.000 1.418 120 I CB 0.500 38.520 38.000 0.032 0.000 1.394 120 I HN 0.350 nan 8.210 nan 0.000 0.552 121 I N 5.572 126.140 120.570 -0.002 0.000 2.389 121 I HA 0.461 4.626 4.170 -0.008 0.000 0.288 121 I C 0.385 176.497 176.117 -0.008 0.000 0.999 121 I CA -0.381 60.923 61.300 0.007 0.000 1.129 121 I CB 1.731 39.740 38.000 0.014 0.000 1.288 121 I HN 0.630 nan 8.210 nan 0.000 0.444 122 G N 7.517 116.332 108.800 0.026 0.000 2.470 122 G HA2 0.805 4.760 3.960 -0.008 0.000 0.320 122 G HA3 0.805 4.760 3.960 -0.008 0.000 0.320 122 G C -0.818 174.097 174.900 0.024 0.000 1.245 122 G CA -0.472 44.649 45.100 0.035 0.000 0.935 122 G HN 0.639 nan 8.290 nan 0.000 0.476 123 I N -0.562 119.992 120.570 -0.028 0.000 2.769 123 I HA 0.654 4.819 4.170 -0.008 0.000 0.298 123 I C -0.909 175.258 176.117 0.084 0.000 1.128 123 I CA -1.428 59.873 61.300 0.002 0.000 1.031 123 I CB 2.616 40.535 38.000 -0.135 0.000 1.235 123 I HN 0.226 nan 8.210 nan 0.000 0.423 124 I N 2.349 123.017 120.570 0.163 0.000 2.404 124 I HA 0.283 4.448 4.170 -0.008 0.000 0.293 124 I C -0.405 175.866 176.117 0.257 0.000 0.992 124 I CA -0.525 60.852 61.300 0.129 0.000 1.149 124 I CB 1.748 39.708 38.000 -0.068 0.000 1.315 124 I HN 0.660 nan 8.210 nan 0.000 0.446 125 D N 7.733 128.123 120.400 -0.017 0.000 2.583 125 D HA -0.009 4.626 4.640 -0.008 0.000 0.232 125 D C -1.665 174.574 176.300 -0.101 0.000 1.128 125 D CA -0.680 53.068 54.000 -0.420 0.000 0.859 125 D CB 1.044 41.547 40.800 -0.496 0.000 1.169 125 D HN 0.251 nan 8.370 nan 0.000 0.481 126 P HA -0.077 nan 4.420 nan 0.000 0.228 126 P C 0.104 177.481 177.300 0.130 0.000 1.151 126 P CA 0.889 64.038 63.100 0.082 0.000 0.770 126 P CB 0.233 31.965 31.700 0.052 0.000 0.786 127 E N -2.126 118.097 120.200 0.038 0.000 2.651 127 E HA 0.141 4.486 4.350 -0.008 0.000 0.208 127 E C -0.185 176.447 176.600 0.054 0.000 0.997 127 E CA -0.144 56.290 56.400 0.057 0.000 1.020 127 E CB -0.345 29.371 29.700 0.027 0.000 1.052 127 E HN -0.051 nan 8.360 nan 0.000 0.465 128 C N 0.364 119.704 119.300 0.066 0.000 4.184 128 C HA -0.228 4.227 4.460 -0.008 0.000 0.295 128 C C 1.870 176.883 174.990 0.038 0.000 1.477 128 C CA 1.056 60.134 59.018 0.101 0.000 2.037 128 C CB -2.102 25.796 27.740 0.263 0.000 1.282 128 C HN 0.576 nan 8.230 nan 0.000 0.783 129 R N -0.237 120.245 120.500 -0.031 0.000 2.062 129 R HA 0.003 4.338 4.340 -0.008 0.000 0.229 129 R C 0.786 177.058 176.300 -0.046 0.000 1.128 129 R CA 1.870 57.950 56.100 -0.032 0.000 0.960 129 R CB 0.055 30.323 30.300 -0.055 0.000 0.855 129 R HN 0.748 nan 8.270 nan 0.000 0.432 130 M N -1.508 118.031 119.600 -0.103 0.000 2.683 130 M HA 0.418 4.893 4.480 -0.008 0.000 0.274 130 M C -1.167 175.062 176.300 -0.119 0.000 1.272 130 M CA -0.960 54.286 55.300 -0.090 0.000 0.833 130 M CB 1.522 34.107 32.600 -0.025 0.000 1.708 130 M HN -0.329 nan 8.290 nan 0.000 0.463 131 I N 1.285 121.753 120.570 -0.170 0.000 2.359 131 I HA 0.732 4.897 4.170 -0.008 0.000 0.294 131 I C 0.146 176.191 176.117 -0.121 0.000 0.987 131 I CA -0.270 60.886 61.300 -0.240 0.000 1.225 131 I CB 1.059 38.718 38.000 -0.569 0.000 1.366 131 I HN 0.954 nan 8.210 nan 0.000 0.466 132 G N 6.879 115.682 108.800 0.005 0.000 2.544 132 G HA2 0.717 4.672 3.960 -0.008 0.000 0.313 132 G HA3 0.717 4.672 3.960 -0.008 0.000 0.313 132 G C -1.125 173.514 174.900 -0.435 0.000 1.316 132 G CA -0.331 44.671 45.100 -0.164 0.000 0.944 132 G HN 0.395 nan 8.290 nan 0.000 0.489 133 L N 1.412 122.149 121.223 -0.810 0.000 2.370 133 L HA 0.668 5.003 4.340 -0.008 0.000 0.266 133 L C 0.047 176.545 176.870 -0.621 0.000 1.002 133 L CA -1.142 53.383 54.840 -0.526 0.000 0.818 133 L CB 2.341 44.223 42.059 -0.295 0.000 1.325 133 L HN 0.333 nan 8.230 nan 0.000 0.418 134 R N 2.249 122.583 120.500 -0.277 0.000 2.247 134 R HA 0.474 4.809 4.340 -0.008 0.000 0.329 134 R C -0.251 175.933 176.300 -0.194 0.000 1.014 134 R CA -0.143 55.862 56.100 -0.159 0.000 0.907 134 R CB 0.562 30.855 30.300 -0.010 0.000 1.146 134 R HN 0.852 nan 8.270 nan 0.000 0.499 135 L N 3.555 124.562 121.223 -0.360 0.000 2.286 135 L HA 0.222 4.557 4.340 -0.008 0.000 0.203 135 L C -0.024 176.448 176.870 -0.664 0.000 1.068 135 L CA 0.640 55.091 54.840 -0.649 0.000 0.811 135 L CB 0.043 41.344 42.059 -1.264 0.000 0.989 135 L HN 0.433 nan 8.230 nan 0.000 0.467 136 Y N -1.550 118.742 120.300 -0.014 0.000 2.602 136 Y HA 0.354 4.899 4.550 -0.008 0.000 0.342 136 Y C -0.396 175.518 175.900 0.022 0.000 1.029 136 Y CA -1.582 56.522 58.100 0.007 0.000 1.080 136 Y CB 0.780 39.228 38.460 -0.020 0.000 1.284 136 Y HN -0.188 nan 8.280 nan 0.000 0.485 137 D N 0.688 121.210 120.400 0.202 0.000 2.390 137 D HA 0.305 4.940 4.640 -0.008 0.000 0.249 137 D C 0.943 177.315 176.300 0.119 0.000 1.144 137 D CA 1.601 55.681 54.000 0.134 0.000 0.880 137 D CB 1.175 42.040 40.800 0.109 0.000 1.182 137 D HN 0.891 nan 8.370 nan 0.000 0.451 138 G N 1.989 110.848 108.800 0.099 0.000 2.143 138 G HA2 -0.239 3.716 3.960 -0.008 0.000 0.248 138 G HA3 -0.239 3.716 3.960 -0.008 0.000 0.248 138 G C 0.050 175.015 174.900 0.109 0.000 0.991 138 G CA -0.071 45.083 45.100 0.089 0.000 0.689 138 G HN 0.445 nan 8.290 nan 0.000 0.522 139 L N -0.981 120.323 121.223 0.134 0.000 2.422 139 L HA 0.741 5.076 4.340 -0.008 0.000 0.264 139 L C -0.804 176.173 176.870 0.179 0.000 0.984 139 L CA -1.218 53.709 54.840 0.144 0.000 0.819 139 L CB 2.067 44.207 42.059 0.135 0.000 1.330 139 L HN 0.061 nan 8.230 nan 0.000 0.410 140 F N 2.864 122.832 119.950 0.030 0.000 2.444 140 F HA 0.481 5.003 4.527 -0.008 0.000 0.342 140 F C -0.021 175.723 175.800 -0.094 0.000 1.121 140 F CA -0.726 57.278 58.000 0.007 0.000 0.997 140 F CB 1.402 40.508 39.000 0.178 0.000 1.130 140 F HN 0.242 nan 8.300 nan 0.000 0.454 141 K N 4.541 124.507 120.400 -0.723 0.000 2.211 141 K HA 0.655 4.970 4.320 -0.008 0.000 0.275 141 K C -1.729 174.419 176.600 -0.754 0.000 1.024 141 K CA -0.377 55.561 56.287 -0.581 0.000 0.887 141 K CB 1.188 33.419 32.500 -0.447 0.000 1.084 141 K HN 0.467 nan 8.250 nan 0.000 0.463 142 V N 6.513 126.006 119.914 -0.703 0.000 2.444 142 V HA 0.418 4.533 4.120 -0.008 0.000 0.294 142 V C -0.429 175.313 176.094 -0.586 0.000 1.022 142 V CA -0.804 61.092 62.300 -0.674 0.000 0.850 142 V CB 1.454 32.774 31.823 -0.838 0.000 0.992 142 V HN 0.667 nan 8.190 nan 0.000 0.426 143 I N 6.420 126.791 120.570 -0.331 0.000 2.297 143 I HA 0.335 4.500 4.170 -0.008 0.000 0.291 143 I C -2.387 173.665 176.117 -0.109 0.000 1.033 143 I CA -2.052 59.131 61.300 -0.194 0.000 1.253 143 I CB 1.516 39.414 38.000 -0.169 0.000 1.396 143 I HN 0.379 nan 8.210 nan 0.000 0.476 144 P HA -0.011 nan 4.420 nan 0.000 0.263 144 P C 0.381 177.689 177.300 0.013 0.000 1.247 144 P CA -0.054 63.079 63.100 0.055 0.000 0.876 144 P CB 0.619 32.396 31.700 0.128 0.000 0.928 145 L N 4.408 125.621 121.223 -0.017 0.000 2.162 145 L HA 0.028 4.363 4.340 -0.008 0.000 0.205 145 L C 0.742 177.636 176.870 0.040 0.000 1.086 145 L CA 1.061 55.894 54.840 -0.012 0.000 0.778 145 L CB -0.804 41.207 42.059 -0.080 0.000 0.928 145 L HN 0.286 nan 8.230 nan 0.000 0.446 146 D N 1.644 122.066 120.400 0.036 0.000 2.525 146 D HA -0.059 4.576 4.640 -0.008 0.000 0.235 146 D C -0.173 176.156 176.300 0.049 0.000 1.137 146 D CA -0.003 54.025 54.000 0.047 0.000 0.868 146 D CB 0.424 41.246 40.800 0.036 0.000 1.180 146 D HN 0.089 nan 8.370 nan 0.000 0.465 147 R N 0.674 121.204 120.500 0.051 0.000 3.777 147 R HA -0.194 4.141 4.340 -0.008 0.000 0.525 147 R C -0.719 175.612 176.300 0.051 0.000 0.241 147 R CA 0.357 56.485 56.100 0.046 0.000 1.635 147 R CB -1.121 29.201 30.300 0.036 0.000 1.033 147 R HN 0.696 nan 8.270 nan 0.000 0.552 148 D N 1.364 121.790 120.400 0.045 0.000 2.348 148 D HA 0.158 4.793 4.640 -0.008 0.000 0.259 148 D C -0.128 176.198 176.300 0.044 0.000 1.296 148 D CA 0.438 54.466 54.000 0.047 0.000 0.931 148 D CB -0.091 40.733 40.800 0.039 0.000 1.067 148 D HN 0.288 nan 8.370 nan 0.000 0.503 149 N N 2.682 121.412 118.700 0.050 0.000 2.609 149 N HA 0.142 4.877 4.740 -0.008 0.000 0.268 149 N C 0.027 175.566 175.510 0.049 0.000 1.106 149 N CA -0.453 52.623 53.050 0.043 0.000 0.823 149 N CB 0.805 39.317 38.487 0.042 0.000 1.263 149 N HN 0.066 nan 8.380 nan 0.000 0.533 150 K N 1.406 121.832 120.400 0.044 0.000 2.352 150 K HA 0.098 4.413 4.320 -0.008 0.000 0.194 150 K C 0.035 176.652 176.600 0.029 0.000 1.038 150 K CA 0.625 56.946 56.287 0.057 0.000 1.023 150 K CB 0.645 33.185 32.500 0.067 0.000 0.840 150 K HN 0.479 nan 8.250 nan 0.000 0.519 151 E N 0.625 120.816 120.200 -0.015 0.000 2.479 151 E HA 0.107 4.452 4.350 -0.008 0.000 0.193 151 E C 0.002 176.556 176.600 -0.077 0.000 1.049 151 E CA 0.062 56.405 56.400 -0.094 0.000 0.870 151 E CB -0.076 29.570 29.700 -0.089 0.000 0.944 151 E HN 0.081 nan 8.360 nan 0.000 0.492 152 L N 0.485 121.699 121.223 -0.016 0.000 3.865 152 L HA -0.291 4.044 4.340 -0.008 0.000 0.408 152 L C 0.495 177.359 176.870 -0.011 0.000 1.209 152 L CA 0.204 55.047 54.840 0.004 0.000 0.940 152 L CB -1.412 40.667 42.059 0.033 0.000 1.971 152 L HN 0.219 nan 8.230 nan 0.000 0.899 153 K N 1.113 121.508 120.400 -0.008 0.000 2.561 153 K HA 0.325 4.640 4.320 -0.008 0.000 0.280 153 K C 0.322 176.928 176.600 0.010 0.000 0.975 153 K CA 0.975 57.263 56.287 0.002 0.000 1.024 153 K CB 0.457 32.966 32.500 0.016 0.000 0.883 153 K HN 0.335 nan 8.250 nan 0.000 0.496 154 A N 3.771 126.594 122.820 0.004 0.000 2.515 154 A HA 0.607 4.922 4.320 -0.008 0.000 0.298 154 A C -1.155 176.441 177.584 0.020 0.000 1.059 154 A CA -0.939 51.074 52.037 -0.039 0.000 0.698 154 A CB 0.710 19.634 19.000 -0.127 0.000 1.289 154 A HN 0.670 nan 8.150 nan 0.000 0.404 155 F N 0.222 120.143 119.950 -0.048 0.000 2.557 155 F HA 0.805 5.327 4.527 -0.008 0.000 0.336 155 F C -0.261 175.504 175.800 -0.058 0.000 1.058 155 F CA -1.131 56.839 58.000 -0.049 0.000 0.988 155 F CB 1.186 40.157 39.000 -0.047 0.000 1.275 155 F HN 0.519 nan 8.300 nan 0.000 0.488 156 N N 0.379 119.156 118.700 0.128 0.000 2.319 156 N HA 0.653 5.388 4.740 -0.008 0.000 0.305 156 N C -1.554 174.024 175.510 0.112 0.000 1.103 156 N CA -0.771 52.289 53.050 0.017 0.000 0.815 156 N CB 2.316 40.816 38.487 0.022 0.000 1.288 156 N HN 0.509 nan 8.380 nan 0.000 0.493 157 I N 0.929 121.508 120.570 0.016 0.000 2.433 157 I HA 0.352 4.517 4.170 -0.008 0.000 0.292 157 I C 0.232 176.323 176.117 -0.042 0.000 1.001 157 I CA -0.807 60.427 61.300 -0.110 0.000 1.119 157 I CB 1.784 39.465 38.000 -0.532 0.000 1.289 157 I HN 0.343 nan 8.210 nan 0.000 0.438 158 R N 5.659 126.136 120.500 -0.038 0.000 2.537 158 R HA 0.343 4.678 4.340 -0.008 0.000 0.280 158 R C -0.941 175.448 176.300 0.147 0.000 1.058 158 R CA -0.076 56.049 56.100 0.043 0.000 1.057 158 R CB 0.563 30.874 30.300 0.018 0.000 0.973 158 R HN 0.628 nan 8.270 nan 0.000 0.438 159 L N 4.788 126.119 121.223 0.180 0.000 2.457 159 L HA 0.168 4.503 4.340 -0.008 0.000 0.252 159 L C 0.306 177.234 176.870 0.095 0.000 1.132 159 L CA -0.325 54.648 54.840 0.222 0.000 0.938 159 L CB 1.124 43.300 42.059 0.196 0.000 1.246 159 L HN 0.820 nan 8.230 nan 0.000 0.476 160 E N 0.814 121.065 120.200 0.084 0.000 2.208 160 E HA -0.233 4.112 4.350 -0.008 0.000 0.202 160 E C -0.007 176.607 176.600 0.024 0.000 1.014 160 E CA 1.355 57.786 56.400 0.051 0.000 0.819 160 E CB 0.082 29.811 29.700 0.047 0.000 0.735 160 E HN 0.457 nan 8.360 nan 0.000 0.469 161 E N -0.164 120.024 120.200 -0.020 0.000 1.944 161 E HA 0.040 4.385 4.350 -0.008 0.000 0.272 161 E C 0.826 177.422 176.600 -0.007 0.000 1.195 161 E CA -0.061 56.286 56.400 -0.087 0.000 0.926 161 E CB 0.158 29.698 29.700 -0.266 0.000 1.051 161 E HN 0.212 nan 8.360 nan 0.000 0.404 162 L N 1.004 122.272 121.223 0.076 0.000 1.976 162 L HA -0.056 4.279 4.340 -0.008 0.000 0.209 162 L C 1.381 178.350 176.870 0.165 0.000 1.071 162 L CA 1.360 56.264 54.840 0.106 0.000 0.746 162 L CB -0.560 41.564 42.059 0.109 0.000 0.890 162 L HN 0.488 nan 8.230 nan 0.000 0.432 163 H N 1.353 120.478 119.070 0.093 0.000 2.908 163 H HA 0.428 4.979 4.556 -0.008 0.000 0.269 163 H C -1.193 174.209 175.328 0.123 0.000 1.303 163 H CA -0.807 55.299 56.048 0.095 0.000 1.341 163 H CB 0.510 30.330 29.762 0.095 0.000 1.519 163 H HN 0.014 nan 8.280 nan 0.000 0.505 164 V N 7.197 127.150 119.914 0.064 0.000 2.432 164 V HA -0.019 4.096 4.120 -0.008 0.000 0.275 164 V C 1.089 177.132 176.094 -0.084 0.000 1.043 164 V CA -0.402 61.880 62.300 -0.030 0.000 0.925 164 V CB 1.208 32.963 31.823 -0.114 0.000 0.985 164 V HN 0.778 nan 8.190 nan 0.000 0.466 165 I N 2.097 122.612 120.570 -0.091 0.000 2.429 165 I HA 0.199 4.364 4.170 -0.008 0.000 0.247 165 I C 0.595 176.705 176.117 -0.011 0.000 1.099 165 I CA 1.210 62.451 61.300 -0.098 0.000 1.422 165 I CB -0.208 37.713 38.000 -0.132 0.000 1.112 165 I HN 0.699 nan 8.210 nan 0.000 0.430 166 D N -0.016 120.401 120.400 0.027 0.000 2.878 166 D HA 0.369 5.004 4.640 -0.008 0.000 0.211 166 D C -0.913 175.424 176.300 0.062 0.000 1.271 166 D CA -0.169 53.855 54.000 0.040 0.000 0.845 166 D CB 2.025 42.847 40.800 0.037 0.000 1.679 166 D HN -0.108 nan 8.370 nan 0.000 0.536 167 V N 0.548 120.482 119.914 0.034 0.000 2.769 167 V HA 0.941 5.056 4.120 -0.008 0.000 0.312 167 V C -0.324 175.741 176.094 -0.049 0.000 1.058 167 V CA -0.632 61.669 62.300 0.001 0.000 0.952 167 V CB 1.821 33.616 31.823 -0.047 0.000 1.019 167 V HN 0.523 nan 8.190 nan 0.000 0.445 168 K N 1.861 122.202 120.400 -0.099 0.000 2.546 168 K HA 0.594 4.909 4.320 -0.008 0.000 0.264 168 K C -1.546 174.969 176.600 -0.142 0.000 0.937 168 K CA -0.472 55.749 56.287 -0.109 0.000 0.833 168 K CB 2.083 34.571 32.500 -0.019 0.000 1.378 168 K HN 0.660 nan 8.250 nan 0.000 0.432 169 F N 3.450 123.371 119.950 -0.049 0.000 2.427 169 F HA 0.296 4.818 4.527 -0.009 0.000 0.352 169 F C 0.551 176.245 175.800 -0.176 0.000 1.100 169 F CA -0.666 57.278 58.000 -0.093 0.000 1.191 169 F CB 0.616 39.563 39.000 -0.088 0.000 1.128 169 F HN 0.134 nan 8.300 nan 0.000 0.533 170 L N 4.047 125.343 121.223 0.122 0.000 2.436 170 L HA 0.168 4.503 4.340 -0.008 0.000 0.265 170 L C -0.585 176.296 176.870 0.018 0.000 1.168 170 L CA -0.409 54.465 54.840 0.056 0.000 0.815 170 L CB 0.627 42.753 42.059 0.112 0.000 1.109 170 L HN 0.518 nan 8.230 nan 0.000 0.462 171 Y N 0.070 120.472 120.300 0.171 0.000 2.308 171 Y HA 0.363 4.907 4.550 -0.009 0.000 0.329 171 Y C 0.997 176.978 175.900 0.134 0.000 1.111 171 Y CA 0.023 58.213 58.100 0.150 0.000 1.179 171 Y CB 1.597 40.158 38.460 0.168 0.000 1.201 171 Y HN 0.747 nan 8.280 nan 0.000 0.483 172 G N 1.989 110.959 108.800 0.284 0.000 2.422 172 G HA2 -0.198 3.757 3.960 -0.008 0.000 0.290 172 G HA3 -0.198 3.757 3.960 -0.008 0.000 0.290 172 G C -0.910 174.080 174.900 0.151 0.000 1.059 172 G CA -0.313 44.901 45.100 0.190 0.000 1.242 172 G HN 0.720 nan 8.290 nan 0.000 0.520 173 C N 0.208 119.578 119.300 0.117 0.000 2.797 173 C HA 0.552 5.007 4.460 -0.008 0.000 0.306 173 C C 1.117 176.147 174.990 0.065 0.000 1.207 173 C CA -0.859 58.216 59.018 0.094 0.000 1.507 173 C CB 2.009 29.802 27.740 0.087 0.000 2.028 173 C HN 0.650 nan 8.230 nan 0.000 0.475 174 Q N 0.732 120.567 119.800 0.058 0.000 2.541 174 Q HA 0.277 4.612 4.340 -0.008 0.000 0.215 174 Q C 0.544 176.564 176.000 0.034 0.000 0.977 174 Q CA 0.779 56.608 55.803 0.044 0.000 0.934 174 Q CB 0.009 28.772 28.738 0.043 0.000 0.988 174 Q HN 0.855 nan 8.270 nan 0.000 0.521 175 A N -0.643 122.196 122.820 0.032 0.000 2.587 175 A HA 0.630 4.945 4.320 -0.008 0.000 0.293 175 A C -2.770 174.817 177.584 0.005 0.000 1.087 175 A CA -1.824 50.225 52.037 0.021 0.000 0.692 175 A CB 1.027 20.048 19.000 0.035 0.000 1.291 175 A HN -0.150 nan 8.150 nan 0.000 0.407 176 P HA 0.180 nan 4.420 nan 0.000 0.258 176 P C -0.535 176.778 177.300 0.022 0.000 1.187 176 P CA 0.936 63.969 63.100 -0.111 0.000 0.767 176 P CB 0.327 31.918 31.700 -0.181 0.000 0.770 177 T N 5.263 119.852 114.554 0.060 0.000 2.815 177 T HA 0.471 4.816 4.350 -0.008 0.000 0.289 177 T C 0.027 174.852 174.700 0.208 0.000 1.000 177 T CA -0.406 61.755 62.100 0.101 0.000 0.958 177 T CB 0.540 69.424 68.868 0.028 0.000 0.944 177 T HN 0.255 nan 8.240 nan 0.000 0.442 178 I N 2.777 123.444 120.570 0.161 0.000 2.392 178 I HA 0.639 4.804 4.170 -0.008 0.000 0.295 178 I C -0.483 175.549 176.117 -0.140 0.000 0.985 178 I CA -0.614 60.714 61.300 0.046 0.000 1.221 178 I CB 0.626 38.563 38.000 -0.105 0.000 1.366 178 I HN 0.714 nan 8.210 nan 0.000 0.467 179 C N 8.333 127.549 119.300 -0.139 0.000 2.441 179 C HA 0.800 5.255 4.460 -0.008 0.000 0.318 179 C C -0.917 174.013 174.990 -0.100 0.000 1.222 179 C CA -0.542 58.339 59.018 -0.228 0.000 1.474 179 C CB 0.403 28.047 27.740 -0.161 0.000 2.125 179 C HN 0.703 nan 8.230 nan 0.000 0.479 180 F N 3.856 123.664 119.950 -0.237 0.000 2.619 180 F HA 0.775 5.298 4.527 -0.008 0.000 0.308 180 F C -1.346 174.400 175.800 -0.090 0.000 1.097 180 F CA -1.176 56.728 58.000 -0.160 0.000 0.953 180 F CB 0.794 39.691 39.000 -0.172 0.000 1.287 180 F HN 0.340 nan 8.300 nan 0.000 0.446 181 V N 3.585 123.573 119.914 0.123 0.000 2.465 181 V HA 0.426 4.541 4.120 -0.008 0.000 0.279 181 V C -0.504 175.733 176.094 0.238 0.000 1.045 181 V CA -0.467 61.859 62.300 0.045 0.000 0.938 181 V CB 0.762 32.545 31.823 -0.066 0.000 0.986 181 V HN 0.885 nan 8.190 nan 0.000 0.467 182 Y N 2.564 122.916 120.300 0.087 0.000 2.773 182 Y HA 0.858 5.403 4.550 -0.008 0.000 0.323 182 Y C -0.428 175.432 175.900 -0.067 0.000 1.183 182 Y CA -1.478 56.660 58.100 0.065 0.000 1.144 182 Y CB 1.631 40.254 38.460 0.271 0.000 1.340 182 Y HN 0.476 nan 8.280 nan 0.000 0.531 183 Q N 1.399 121.229 119.800 0.049 0.000 2.289 183 Q HA 0.426 4.761 4.340 -0.008 0.000 0.270 183 Q C -2.132 174.008 176.000 0.233 0.000 1.038 183 Q CA -0.612 55.179 55.803 -0.020 0.000 0.812 183 Q CB 2.115 30.836 28.738 -0.028 0.000 1.300 183 Q HN 0.842 nan 8.270 nan 0.000 0.427 184 D N 2.526 123.023 120.400 0.162 0.000 2.732 184 D HA 0.427 5.062 4.640 -0.008 0.000 0.292 184 D C -2.022 174.357 176.300 0.131 0.000 1.135 184 D CA -1.544 52.586 54.000 0.217 0.000 1.071 184 D CB 0.377 41.375 40.800 0.330 0.000 1.457 184 D HN 0.347 nan 8.370 nan 0.000 0.547 185 P HA -0.144 nan 4.420 nan 0.000 0.221 185 P C 0.849 178.198 177.300 0.081 0.000 1.145 185 P CA 1.272 64.423 63.100 0.084 0.000 0.795 185 P CB 0.262 32.007 31.700 0.076 0.000 0.775 186 Q N -0.631 119.248 119.800 0.132 0.000 2.331 186 Q HA 0.225 4.560 4.340 -0.008 0.000 0.203 186 Q C 1.525 177.573 176.000 0.080 0.000 0.944 186 Q CA 1.125 57.023 55.803 0.159 0.000 0.892 186 Q CB -0.184 28.721 28.738 0.277 0.000 0.983 186 Q HN 0.336 nan 8.270 nan 0.000 0.482 187 G N 0.340 109.104 108.800 -0.060 0.000 2.240 187 G HA2 -0.008 3.947 3.960 -0.008 0.000 0.199 187 G HA3 -0.008 3.947 3.960 -0.008 0.000 0.199 187 G C -1.330 173.239 174.900 -0.553 0.000 1.342 187 G CA -0.954 43.992 45.100 -0.256 0.000 1.145 187 G HN 0.087 nan 8.290 nan 0.000 0.477 188 R N 0.461 120.518 120.500 -0.739 0.000 2.562 188 R HA 0.713 5.048 4.340 -0.008 0.000 0.298 188 R C -0.962 174.699 176.300 -1.066 0.000 0.961 188 R CA -0.814 54.805 56.100 -0.801 0.000 0.881 188 R CB 1.625 31.675 30.300 -0.416 0.000 1.159 188 R HN 0.645 nan 8.270 nan 0.000 0.450 189 H N 0.426 119.089 119.070 -0.677 0.000 2.895 189 H HA 0.266 4.817 4.556 -0.009 0.000 0.373 189 H C -1.103 173.935 175.328 -0.483 0.000 1.174 189 H CA -0.831 54.880 56.048 -0.562 0.000 1.144 189 H CB 2.193 31.626 29.762 -0.549 0.000 1.793 189 H HN 0.243 nan 8.280 nan 0.000 0.551 190 V N 1.849 121.651 119.914 -0.186 0.000 2.439 190 V HA 0.374 4.489 4.120 -0.008 0.000 0.282 190 V C -0.182 175.751 176.094 -0.268 0.000 1.039 190 V CA -0.099 62.052 62.300 -0.247 0.000 0.913 190 V CB 1.015 32.657 31.823 -0.301 0.000 0.983 190 V HN 0.752 nan 8.190 nan 0.000 0.460 191 K N 3.839 123.861 120.400 -0.630 0.000 2.444 191 K HA 0.817 5.132 4.320 -0.008 0.000 0.252 191 K C -1.093 174.746 176.600 -1.267 0.000 0.993 191 K CA -0.490 55.267 56.287 -0.884 0.000 0.847 191 K CB 2.477 34.426 32.500 -0.918 0.000 1.340 191 K HN 0.782 nan 8.250 nan 0.000 0.446 192 T N -1.029 112.830 114.554 -1.158 0.000 2.909 192 T HA 0.519 4.864 4.350 -0.008 0.000 0.299 192 T C -1.033 173.163 174.700 -0.839 0.000 1.073 192 T CA -0.713 60.791 62.100 -0.993 0.000 0.999 192 T CB 0.725 68.956 68.868 -1.062 0.000 1.098 192 T HN 0.503 nan 8.240 nan 0.000 0.477 193 Y N -0.447 119.630 120.300 -0.371 0.000 2.638 193 Y HA 0.637 5.183 4.550 -0.008 0.000 0.339 193 Y C 0.112 175.951 175.900 -0.102 0.000 1.084 193 Y CA -1.399 56.544 58.100 -0.261 0.000 1.068 193 Y CB 2.261 40.434 38.460 -0.478 0.000 1.294 193 Y HN 0.623 nan 8.280 nan 0.000 0.480 194 E N 0.816 121.147 120.200 0.218 0.000 2.199 194 E HA 0.493 4.838 4.350 -0.008 0.000 0.269 194 E C -1.597 175.163 176.600 0.266 0.000 0.899 194 E CA -0.791 55.718 56.400 0.182 0.000 0.772 194 E CB 2.252 32.016 29.700 0.106 0.000 1.155 194 E HN 0.238 nan 8.360 nan 0.000 0.408 195 V N 2.419 122.482 119.914 0.248 0.000 2.350 195 V HA 0.267 4.382 4.120 -0.008 0.000 0.276 195 V C -0.106 176.081 176.094 0.154 0.000 1.028 195 V CA -0.540 61.913 62.300 0.254 0.000 0.860 195 V CB 1.285 33.300 31.823 0.320 0.000 0.990 195 V HN 0.521 nan 8.190 nan 0.000 0.453 196 S N 4.450 120.222 115.700 0.120 0.000 2.532 196 S HA 0.475 4.940 4.470 -0.008 0.000 0.318 196 S C 0.957 175.600 174.600 0.071 0.000 1.083 196 S CA -0.645 57.599 58.200 0.072 0.000 1.131 196 S CB 0.549 63.767 63.200 0.030 0.000 0.973 196 S HN 0.634 nan 8.310 nan 0.000 0.468 197 L N 4.023 125.314 121.223 0.114 0.000 2.189 197 L HA -0.127 4.208 4.340 -0.008 0.000 0.214 197 L C 2.614 179.449 176.870 -0.057 0.000 1.097 197 L CA 1.316 56.222 54.840 0.110 0.000 0.764 197 L CB -0.370 41.767 42.059 0.130 0.000 0.900 197 L HN 0.591 nan 8.230 nan 0.000 0.436 198 R N 0.690 121.167 120.500 -0.038 0.000 2.082 198 R HA -0.209 4.126 4.340 -0.008 0.000 0.234 198 R C 2.116 178.349 176.300 -0.112 0.000 1.136 198 R CA 2.112 58.175 56.100 -0.062 0.000 0.935 198 R CB -0.057 30.224 30.300 -0.031 0.000 0.842 198 R HN 0.626 nan 8.270 nan 0.000 0.430 199 E N -0.460 119.672 120.200 -0.114 0.000 2.431 199 E HA 0.079 4.424 4.350 -0.008 0.000 0.200 199 E C -0.455 176.016 176.600 -0.216 0.000 0.995 199 E CA -0.202 56.117 56.400 -0.136 0.000 0.915 199 E CB 0.419 30.068 29.700 -0.085 0.000 0.930 199 E HN 0.106 nan 8.360 nan 0.000 0.496 200 K N 1.683 121.917 120.400 -0.276 0.000 3.549 200 K HA -0.186 4.129 4.320 -0.008 0.000 0.275 200 K C -1.048 175.445 176.600 -0.178 0.000 1.060 200 K CA 1.115 57.143 56.287 -0.431 0.000 0.812 200 K CB -1.580 30.395 32.500 -0.876 0.000 1.374 200 K HN 0.661 nan 8.250 nan 0.000 0.455 201 E N -0.566 119.563 120.200 -0.118 0.000 2.417 201 E HA 0.347 4.692 4.350 -0.008 0.000 0.280 201 E C -0.886 175.588 176.600 -0.210 0.000 1.112 201 E CA -1.128 55.140 56.400 -0.220 0.000 0.863 201 E CB 0.667 30.278 29.700 -0.148 0.000 1.346 201 E HN -0.036 nan 8.360 nan 0.000 0.443 202 F N 0.661 120.550 119.950 -0.101 0.000 2.403 202 F HA 0.313 4.835 4.527 -0.008 0.000 0.320 202 F C 1.625 177.349 175.800 -0.126 0.000 1.176 202 F CA -0.359 57.538 58.000 -0.172 0.000 1.206 202 F CB 0.509 39.181 39.000 -0.546 0.000 1.235 202 F HN 0.437 nan 8.300 nan 0.000 0.565 203 N N 0.309 119.108 118.700 0.166 0.000 2.324 203 N HA 0.069 4.804 4.740 -0.008 0.000 0.235 203 N C -1.061 174.508 175.510 0.100 0.000 1.162 203 N CA 0.152 53.257 53.050 0.092 0.000 0.834 203 N CB 0.962 39.492 38.487 0.072 0.000 1.354 203 N HN 0.494 nan 8.380 nan 0.000 0.471 204 K N 0.048 120.543 120.400 0.159 0.000 3.381 204 K HA -0.021 4.294 4.320 -0.008 0.000 1.032 204 K C -0.494 176.118 176.600 0.019 0.000 0.922 204 K CA 0.068 56.438 56.287 0.138 0.000 0.907 204 K CB -0.843 31.705 32.500 0.080 0.000 3.324 204 K HN 0.116 nan 8.250 nan 0.000 0.168 205 G N 3.361 112.092 108.800 -0.114 0.000 2.553 205 G HA2 0.381 4.336 3.960 -0.008 0.000 0.278 205 G HA3 0.381 4.336 3.960 -0.008 0.000 0.278 205 G C -1.802 172.982 174.900 -0.193 0.000 1.349 205 G CA -0.673 44.278 45.100 -0.249 0.000 1.037 205 G HN 0.431 nan 8.290 nan 0.000 0.508 206 P HA 0.141 nan 4.420 nan 0.000 0.242 206 P C -0.874 176.618 177.300 0.320 0.000 1.197 206 P CA 0.514 63.679 63.100 0.108 0.000 0.765 206 P CB -0.060 31.817 31.700 0.294 0.000 0.936 207 W N -1.530 119.741 121.300 -0.049 0.000 3.479 207 W HA 0.385 5.041 4.660 -0.006 0.000 0.304 207 W C 0.798 177.261 176.519 -0.093 0.000 1.243 207 W CA -1.076 56.234 57.345 -0.057 0.000 1.202 207 W CB 0.322 29.753 29.460 -0.048 0.000 1.346 207 W HN -0.298 nan 8.180 nan 0.000 0.539 208 K N 1.673 122.123 120.400 0.083 0.000 2.009 208 K HA -0.061 4.253 4.320 -0.008 0.000 0.210 208 K C 0.191 176.736 176.600 -0.092 0.000 1.049 208 K CA 1.984 58.250 56.287 -0.035 0.000 0.929 208 K CB -0.114 32.388 32.500 0.003 0.000 0.714 208 K HN 0.770 nan 8.250 nan 0.000 0.440 209 Q N -1.363 118.462 119.800 0.041 0.000 3.059 209 Q HA 0.185 4.520 4.340 -0.008 0.000 0.299 209 Q C -1.979 174.058 176.000 0.061 0.000 0.900 209 Q CA -1.018 54.796 55.803 0.018 0.000 0.813 209 Q CB 0.762 29.459 28.738 -0.068 0.000 1.696 209 Q HN 0.168 nan 8.270 nan 0.000 0.504 210 E N 0.948 121.156 120.200 0.015 0.000 2.383 210 E HA 0.408 4.753 4.350 -0.008 0.000 0.275 210 E C -1.144 175.453 176.600 -0.003 0.000 0.918 210 E CA -1.222 55.167 56.400 -0.018 0.000 0.764 210 E CB 1.527 31.219 29.700 -0.015 0.000 1.252 210 E HN 0.548 nan 8.360 nan 0.000 0.449 211 N N 0.529 119.238 118.700 0.014 0.000 2.492 211 N HA 0.218 4.953 4.740 -0.008 0.000 0.260 211 N C -0.589 174.924 175.510 0.005 0.000 1.215 211 N CA 0.052 53.169 53.050 0.113 0.000 0.923 211 N CB 0.981 39.504 38.487 0.061 0.000 1.092 211 N HN 0.160 nan 8.380 nan 0.000 0.448 212 V N 0.760 120.643 119.914 -0.052 0.000 2.735 212 V HA 0.170 4.285 4.120 -0.008 0.000 0.310 212 V C 0.434 176.482 176.094 -0.078 0.000 1.061 212 V CA -1.066 61.190 62.300 -0.073 0.000 0.913 212 V CB 1.989 33.725 31.823 -0.145 0.000 1.005 212 V HN 0.614 nan 8.190 nan 0.000 0.428 213 E N 2.375 122.563 120.200 -0.020 0.000 3.231 213 E HA -0.193 4.152 4.350 -0.008 0.000 0.271 213 E C 1.436 177.997 176.600 -0.066 0.000 0.877 213 E CA 0.615 57.000 56.400 -0.025 0.000 0.973 213 E CB 0.884 30.583 29.700 -0.002 0.000 0.922 213 E HN 0.915 nan 8.360 nan 0.000 0.532 214 A N 5.692 128.475 122.820 -0.063 0.000 2.009 214 A HA -0.221 4.094 4.320 -0.008 0.000 0.222 214 A C 1.067 178.604 177.584 -0.078 0.000 1.175 214 A CA 1.833 53.823 52.037 -0.078 0.000 0.651 214 A CB -0.039 18.931 19.000 -0.050 0.000 0.815 214 A HN 0.689 nan 8.150 nan 0.000 0.459 215 E N -0.741 119.425 120.200 -0.057 0.000 3.846 215 E HA 0.408 4.753 4.350 -0.008 0.000 0.216 215 E C -0.612 175.961 176.600 -0.045 0.000 1.092 215 E CA -0.045 56.327 56.400 -0.046 0.000 1.370 215 E CB 0.553 30.239 29.700 -0.024 0.000 1.227 215 E HN 0.461 nan 8.360 nan 0.000 0.442 216 A N 1.286 124.065 122.820 -0.067 0.000 2.376 216 A HA 0.235 4.550 4.320 -0.008 0.000 0.298 216 A C 1.220 178.773 177.584 -0.052 0.000 1.271 216 A CA -0.207 51.794 52.037 -0.060 0.000 0.926 216 A CB 0.124 19.075 19.000 -0.083 0.000 1.141 216 A HN 0.301 nan 8.150 nan 0.000 0.539 217 S N 2.840 118.526 115.700 -0.023 0.000 2.499 217 S HA 0.224 4.689 4.470 -0.008 0.000 0.225 217 S C 0.731 175.342 174.600 0.017 0.000 1.050 217 S CA -0.009 58.189 58.200 -0.003 0.000 0.928 217 S CB -0.024 63.187 63.200 0.018 0.000 0.803 217 S HN 0.629 nan 8.310 nan 0.000 0.506 218 M N 1.946 121.556 119.600 0.017 0.000 2.472 218 M HA 0.570 5.045 4.480 -0.008 0.000 0.331 218 M C -1.283 174.990 176.300 -0.046 0.000 1.170 218 M CA -0.525 54.794 55.300 0.031 0.000 1.009 218 M CB 1.701 34.338 32.600 0.061 0.000 1.672 218 M HN -0.105 nan 8.290 nan 0.000 0.453 219 V N 4.334 124.215 119.914 -0.055 0.000 2.398 219 V HA 0.444 4.559 4.120 -0.008 0.000 0.282 219 V C -0.417 175.592 176.094 -0.141 0.000 1.014 219 V CA -0.457 61.791 62.300 -0.087 0.000 0.838 219 V CB 1.607 33.408 31.823 -0.036 0.000 1.018 219 V HN 0.717 nan 8.190 nan 0.000 0.432 220 I N 3.988 124.418 120.570 -0.234 0.000 2.321 220 I HA 0.622 4.787 4.170 -0.008 0.000 0.291 220 I C 0.772 176.852 176.117 -0.062 0.000 0.998 220 I CA -0.469 60.678 61.300 -0.256 0.000 1.227 220 I CB 1.689 39.376 38.000 -0.521 0.000 1.368 220 I HN 0.609 nan 8.210 nan 0.000 0.466 221 A N 7.089 129.951 122.820 0.069 0.000 2.347 221 A HA 0.503 4.818 4.320 -0.008 0.000 0.287 221 A C -0.089 177.744 177.584 0.415 0.000 1.199 221 A CA -0.343 51.803 52.037 0.181 0.000 0.851 221 A CB 0.080 19.106 19.000 0.043 0.000 1.118 221 A HN 0.517 nan 8.150 nan 0.000 0.525 222 V N 5.903 126.063 119.914 0.410 0.000 2.465 222 V HA 0.236 4.351 4.120 -0.008 0.000 0.279 222 V C -1.900 174.499 176.094 0.508 0.000 1.045 222 V CA -1.353 61.217 62.300 0.449 0.000 0.938 222 V CB 1.072 33.113 31.823 0.363 0.000 0.986 222 V HN 0.752 nan 8.190 nan 0.000 0.467 223 P HA 0.103 nan 4.420 nan 0.000 0.285 223 P C 0.922 178.219 177.300 -0.005 0.000 1.282 223 P CA -0.262 62.651 63.100 -0.313 0.000 0.778 223 P CB 0.731 32.281 31.700 -0.249 0.000 1.222 224 E N 0.431 120.564 120.200 -0.111 0.000 2.070 224 E HA -0.189 4.156 4.350 -0.008 0.000 0.197 224 E C -0.707 175.896 176.600 0.006 0.000 1.004 224 E CA 2.463 58.861 56.400 -0.004 0.000 0.805 224 E CB -2.105 27.575 29.700 -0.033 0.000 0.744 224 E HN 0.434 nan 8.360 nan 0.000 0.451 225 P HA -0.114 nan 4.420 nan 0.000 0.221 225 P C 0.311 177.330 177.300 -0.467 0.000 1.145 225 P CA 1.223 64.133 63.100 -0.316 0.000 0.795 225 P CB 0.049 31.454 31.700 -0.491 0.000 0.775 226 F N -2.890 117.097 119.950 0.061 0.000 2.480 226 F HA 0.482 5.003 4.527 -0.010 0.000 0.258 226 F C 1.981 177.886 175.800 0.174 0.000 0.941 226 F CA 0.724 58.785 58.000 0.102 0.000 1.085 226 F CB -0.904 38.154 39.000 0.098 0.000 1.222 226 F HN -0.099 nan 8.300 nan 0.000 0.724 227 G N -0.092 108.997 108.800 0.481 0.000 2.184 227 G HA2 -0.054 3.901 3.960 -0.008 0.000 0.206 227 G HA3 -0.054 3.901 3.960 -0.008 0.000 0.206 227 G C 0.606 175.716 174.900 0.351 0.000 0.995 227 G CA -0.224 45.100 45.100 0.374 0.000 0.651 227 G HN 0.802 nan 8.290 nan 0.000 0.511 228 G N -0.110 108.919 108.800 0.381 0.000 2.546 228 G HA2 0.806 4.761 3.960 -0.008 0.000 0.239 228 G HA3 0.806 4.761 3.960 -0.008 0.000 0.239 228 G C 0.163 175.080 174.900 0.028 0.000 1.476 228 G CA 0.326 45.448 45.100 0.037 0.000 1.064 228 G HN 1.639 nan 8.290 nan 0.000 0.561 229 A N -1.036 121.648 122.820 -0.227 0.000 2.422 229 A HA 0.639 4.954 4.320 -0.008 0.000 0.302 229 A C -0.808 176.693 177.584 -0.137 0.000 1.041 229 A CA -0.548 51.439 52.037 -0.084 0.000 0.708 229 A CB 1.330 20.332 19.000 0.002 0.000 1.257 229 A HN 0.431 nan 8.150 nan 0.000 0.414 230 I N 2.500 123.009 120.570 -0.101 0.000 2.353 230 I HA 0.374 4.538 4.170 -0.008 0.000 0.293 230 I C -0.451 175.597 176.117 -0.114 0.000 0.992 230 I CA -0.205 61.030 61.300 -0.108 0.000 1.268 230 I CB 1.220 39.076 38.000 -0.241 0.000 1.387 230 I HN 0.506 nan 8.210 nan 0.000 0.478 231 I N 7.074 127.617 120.570 -0.046 0.000 2.382 231 I HA 0.390 4.555 4.170 -0.008 0.000 0.285 231 I C -0.046 176.045 176.117 -0.043 0.000 1.007 231 I CA -0.354 60.919 61.300 -0.045 0.000 1.142 231 I CB 1.372 39.366 38.000 -0.009 0.000 1.289 231 I HN 0.327 nan 8.210 nan 0.000 0.453 232 I N 4.874 125.408 120.570 -0.060 0.000 2.498 232 I HA 0.714 4.879 4.170 -0.008 0.000 0.301 232 I C 0.752 176.855 176.117 -0.024 0.000 0.984 232 I CA -0.282 60.992 61.300 -0.043 0.000 1.204 232 I CB 1.728 39.708 38.000 -0.033 0.000 1.362 232 I HN 0.634 nan 8.210 nan 0.000 0.471 233 G N 3.414 112.199 108.800 -0.024 0.000 3.003 233 G HA2 0.394 4.349 3.960 -0.008 0.000 0.243 233 G HA3 0.394 4.349 3.960 -0.008 0.000 0.243 233 G C -1.345 173.545 174.900 -0.017 0.000 1.176 233 G CA -0.455 44.635 45.100 -0.018 0.000 0.812 233 G HN 0.526 nan 8.290 nan 0.000 0.584 234 Q N 0.483 120.273 119.800 -0.016 0.000 2.230 234 Q HA 0.336 4.671 4.340 -0.008 0.000 0.248 234 Q C 0.235 176.218 176.000 -0.028 0.000 0.915 234 Q CA 0.287 56.079 55.803 -0.017 0.000 0.900 234 Q CB 1.702 30.435 28.738 -0.008 0.000 1.229 234 Q HN 0.939 nan 8.270 nan 0.000 0.439 235 E N -0.540 119.637 120.200 -0.039 0.000 3.449 235 E HA -0.325 4.020 4.350 -0.008 0.000 0.289 235 E C -0.762 175.808 176.600 -0.051 0.000 0.870 235 E CA 1.272 57.645 56.400 -0.046 0.000 0.946 235 E CB -1.184 28.498 29.700 -0.030 0.000 1.476 235 E HN 0.387 nan 8.360 nan 0.000 0.466 236 S N -0.263 115.406 115.700 -0.052 0.000 2.543 236 S HA 0.677 5.142 4.470 -0.008 0.000 0.273 236 S C -0.976 173.592 174.600 -0.053 0.000 1.152 236 S CA -0.745 57.426 58.200 -0.048 0.000 0.910 236 S CB 1.413 64.601 63.200 -0.019 0.000 1.105 236 S HN 0.349 nan 8.310 nan 0.000 0.465 237 I N 3.408 123.938 120.570 -0.067 0.000 2.498 237 I HA 0.555 4.720 4.170 -0.008 0.000 0.290 237 I C -0.034 176.045 176.117 -0.063 0.000 1.032 237 I CA -0.569 60.690 61.300 -0.069 0.000 1.073 237 I CB 2.472 40.413 38.000 -0.099 0.000 1.251 237 I HN 0.812 nan 8.210 nan 0.000 0.426 238 T N 2.050 116.590 114.554 -0.023 0.000 2.893 238 T HA 0.542 4.887 4.350 -0.008 0.000 0.291 238 T C -1.265 173.443 174.700 0.013 0.000 1.028 238 T CA -0.708 61.376 62.100 -0.027 0.000 0.995 238 T CB 1.778 70.728 68.868 0.138 0.000 1.051 238 T HN 0.414 nan 8.240 nan 0.000 0.470 239 Y N 2.411 122.572 120.300 -0.233 0.000 2.352 239 Y HA 0.515 5.061 4.550 -0.007 0.000 0.339 239 Y C -0.442 175.299 175.900 -0.266 0.000 0.992 239 Y CA -0.814 57.175 58.100 -0.185 0.000 1.100 239 Y CB 1.115 39.443 38.460 -0.220 0.000 1.192 239 Y HN 0.786 nan 8.280 nan 0.000 0.458 240 H N 5.712 124.361 119.070 -0.701 0.000 2.727 240 H HA 0.167 4.719 4.556 -0.007 0.000 0.330 240 H C -0.259 174.495 175.328 -0.957 0.000 0.986 240 H CA -0.430 55.246 56.048 -0.620 0.000 1.251 240 H CB 1.766 31.332 29.762 -0.327 0.000 1.493 240 H HN 0.726 nan 8.280 nan 0.000 0.515 241 N N 2.215 120.464 118.700 -0.752 0.000 2.415 241 N HA 0.045 4.780 4.740 -0.008 0.000 0.174 241 N C 0.491 175.559 175.510 -0.737 0.000 1.048 241 N CA 0.831 53.575 53.050 -0.509 0.000 0.895 241 N CB 0.857 39.329 38.487 -0.024 0.000 1.036 241 N HN 0.973 nan 8.380 nan 0.000 0.449 242 G N 0.835 108.963 108.800 -1.121 0.000 2.599 242 G HA2 0.031 3.986 3.960 -0.008 0.000 0.440 242 G HA3 0.031 3.986 3.960 -0.008 0.000 0.440 242 G C -0.303 174.338 174.900 -0.432 0.000 1.018 242 G CA -0.030 44.298 45.100 -1.287 0.000 1.311 242 G HN 0.262 nan 8.290 nan 0.000 0.604 243 D N -0.877 119.295 120.400 -0.380 0.000 2.125 243 D HA -0.151 4.484 4.640 -0.008 0.000 0.249 243 D C 0.827 177.050 176.300 -0.128 0.000 0.851 243 D CA 1.644 55.550 54.000 -0.156 0.000 1.521 243 D CB -1.085 39.673 40.800 -0.070 0.000 1.397 243 D HN 0.695 nan 8.370 nan 0.000 0.720 244 K N 0.436 120.751 120.400 -0.140 0.000 2.297 244 K HA 0.402 4.717 4.320 -0.008 0.000 0.286 244 K C -0.795 175.755 176.600 -0.084 0.000 1.053 244 K CA -0.310 55.943 56.287 -0.057 0.000 0.940 244 K CB 1.204 33.723 32.500 0.032 0.000 1.019 244 K HN 0.288 nan 8.250 nan 0.000 0.475 245 Y N 3.646 123.829 120.300 -0.195 0.000 2.421 245 Y HA 0.532 5.077 4.550 -0.007 0.000 0.339 245 Y C -1.871 173.919 175.900 -0.185 0.000 0.996 245 Y CA -1.043 56.869 58.100 -0.314 0.000 1.046 245 Y CB 1.209 39.462 38.460 -0.346 0.000 1.226 245 Y HN 0.534 nan 8.280 nan 0.000 0.445 246 L N 5.447 126.149 121.223 -0.868 0.000 2.526 246 L HA 0.930 5.265 4.340 -0.008 0.000 0.263 246 L C -1.709 174.739 176.870 -0.703 0.000 0.943 246 L CA -0.455 53.968 54.840 -0.695 0.000 0.859 246 L CB 1.809 43.688 42.059 -0.300 0.000 1.313 246 L HN 0.894 nan 8.230 nan 0.000 0.406 247 A N 4.822 127.270 122.820 -0.621 0.000 2.498 247 A HA 0.934 5.249 4.320 -0.008 0.000 0.298 247 A C -1.295 176.164 177.584 -0.208 0.000 1.075 247 A CA -0.554 51.262 52.037 -0.370 0.000 0.714 247 A CB 1.715 20.527 19.000 -0.312 0.000 1.299 247 A HN 0.731 nan 8.150 nan 0.000 0.407 248 I N -2.430 118.054 120.570 -0.143 0.000 2.969 248 I HA 0.866 5.031 4.170 -0.008 0.000 0.307 248 I C -0.096 175.969 176.117 -0.087 0.000 1.149 248 I CA -1.078 60.157 61.300 -0.108 0.000 1.008 248 I CB 2.644 40.577 38.000 -0.111 0.000 1.232 248 I HN 0.728 nan 8.210 nan 0.000 0.435 249 A N 3.238 126.013 122.820 -0.075 0.000 3.253 249 A HA 0.663 4.978 4.320 -0.008 0.000 0.290 249 A C -2.611 174.928 177.584 -0.075 0.000 0.950 249 A CA -1.297 50.699 52.037 -0.068 0.000 0.986 249 A CB -0.710 18.263 19.000 -0.045 0.000 1.104 249 A HN 0.563 nan 8.150 nan 0.000 0.481 250 P HA 0.129 nan 4.420 nan 0.000 0.264 250 P C -1.971 175.274 177.300 -0.091 0.000 1.183 250 P CA -0.706 62.334 63.100 -0.100 0.000 0.763 250 P CB 0.600 32.213 31.700 -0.145 0.000 0.807 251 P HA -0.078 nan 4.420 nan 0.000 0.218 251 P C 0.477 177.754 177.300 -0.039 0.000 1.148 251 P CA 1.252 64.328 63.100 -0.041 0.000 0.822 251 P CB -0.105 31.581 31.700 -0.024 0.000 0.784 252 I N -0.512 120.028 120.570 -0.050 0.000 2.528 252 I HA 0.091 4.256 4.170 -0.008 0.000 0.276 252 I C 1.102 177.152 176.117 -0.112 0.000 1.056 252 I CA 0.574 61.865 61.300 -0.015 0.000 1.858 252 I CB -0.698 37.346 38.000 0.072 0.000 1.448 252 I HN -0.030 nan 8.210 nan 0.000 0.776 253 I N -0.038 120.475 120.570 -0.094 0.000 5.061 253 I HA 0.012 4.177 4.170 -0.008 0.000 0.336 253 I C 1.624 177.728 176.117 -0.022 0.000 1.247 253 I CA -0.011 61.226 61.300 -0.105 0.000 1.418 253 I CB 0.267 38.164 38.000 -0.171 0.000 1.467 253 I HN 0.043 nan 8.210 nan 0.000 0.510 254 K N 1.266 121.654 120.400 -0.020 0.000 2.585 254 K HA -0.143 4.172 4.320 -0.008 0.000 0.194 254 K C 1.672 178.278 176.600 0.010 0.000 1.037 254 K CA 1.049 57.332 56.287 -0.006 0.000 0.964 254 K CB -0.079 32.416 32.500 -0.009 0.000 0.787 254 K HN 0.308 nan 8.250 nan 0.000 0.488 255 Q N -0.747 119.068 119.800 0.026 0.000 2.134 255 Q HA 0.092 4.427 4.340 -0.008 0.000 0.195 255 Q C 0.299 176.314 176.000 0.025 0.000 0.958 255 Q CA 0.782 56.601 55.803 0.027 0.000 0.840 255 Q CB 0.472 29.233 28.738 0.038 0.000 0.918 255 Q HN 0.241 nan 8.270 nan 0.000 0.467 256 S N -1.575 114.154 115.700 0.047 0.000 2.607 256 S HA 0.567 5.032 4.470 -0.008 0.000 0.273 256 S C -0.487 174.148 174.600 0.058 0.000 1.148 256 S CA -1.038 57.187 58.200 0.042 0.000 0.833 256 S CB 1.563 64.780 63.200 0.028 0.000 1.130 256 S HN 0.036 nan 8.310 nan 0.000 0.470 257 T N 1.581 116.164 114.554 0.048 0.000 2.900 257 T HA 0.331 4.676 4.350 -0.008 0.000 0.307 257 T C 0.179 174.923 174.700 0.072 0.000 1.065 257 T CA -0.115 62.014 62.100 0.048 0.000 1.105 257 T CB -0.173 68.721 68.868 0.042 0.000 0.979 257 T HN 0.530 nan 8.240 nan 0.000 0.544 258 I N 2.740 123.352 120.570 0.070 0.000 2.301 258 I HA 0.089 4.254 4.170 -0.008 0.000 0.292 258 I C 1.208 177.377 176.117 0.088 0.000 1.046 258 I CA -0.198 61.160 61.300 0.097 0.000 1.282 258 I CB 1.123 39.179 38.000 0.093 0.000 1.409 258 I HN 0.485 nan 8.210 nan 0.000 0.484 259 V N 5.499 125.463 119.914 0.083 0.000 2.379 259 V HA -0.099 4.016 4.120 -0.008 0.000 0.243 259 V C 0.601 176.730 176.094 0.058 0.000 1.035 259 V CA 0.843 63.181 62.300 0.064 0.000 1.035 259 V CB 0.008 31.860 31.823 0.049 0.000 0.673 259 V HN 0.926 nan 8.190 nan 0.000 0.457 260 C N 0.088 119.423 119.300 0.057 0.000 2.797 260 C HA 0.846 5.301 4.460 -0.008 0.000 0.306 260 C C -0.352 174.674 174.990 0.060 0.000 1.207 260 C CA -0.894 58.118 59.018 -0.011 0.000 1.507 260 C CB 0.843 28.554 27.740 -0.048 0.000 2.028 260 C HN 0.720 nan 8.230 nan 0.000 0.475 261 H N 0.605 119.737 119.070 0.103 0.000 2.812 261 H HA 0.906 5.457 4.556 -0.008 0.000 0.355 261 H C -0.751 174.684 175.328 0.178 0.000 1.207 261 H CA -0.655 55.477 56.048 0.139 0.000 1.217 261 H CB 1.121 30.952 29.762 0.115 0.000 1.874 261 H HN 0.917 nan 8.280 nan 0.000 0.581 262 N N -0.643 118.304 118.700 0.411 0.000 2.827 262 N HA 0.134 4.869 4.740 -0.008 0.000 0.248 262 N C -1.804 173.882 175.510 0.293 0.000 1.074 262 N CA -0.739 52.508 53.050 0.329 0.000 1.042 262 N CB 1.748 40.346 38.487 0.184 0.000 1.684 262 N HN 0.809 nan 8.380 nan 0.000 0.542 263 R N 2.525 123.117 120.500 0.153 0.000 2.442 263 R HA 0.320 4.655 4.340 -0.008 0.000 0.291 263 R C 0.157 176.321 176.300 -0.225 0.000 1.069 263 R CA -0.185 55.668 56.100 -0.413 0.000 1.022 263 R CB 0.550 30.666 30.300 -0.306 0.000 0.976 263 R HN 0.469 nan 8.270 nan 0.000 0.443 264 V N 2.059 121.750 119.914 -0.373 0.000 2.575 264 V HA 0.048 4.163 4.120 -0.008 0.000 0.242 264 V C 0.158 176.120 176.094 -0.220 0.000 1.045 264 V CA 0.980 63.077 62.300 -0.340 0.000 1.065 264 V CB -0.127 31.379 31.823 -0.529 0.000 0.717 264 V HN 0.728 nan 8.190 nan 0.000 0.467 265 D N 0.572 120.836 120.400 -0.227 0.000 2.256 265 D HA 0.312 4.947 4.640 -0.008 0.000 0.240 265 D C -1.920 174.345 176.300 -0.059 0.000 1.062 265 D CA -1.787 52.150 54.000 -0.105 0.000 0.832 265 D CB 1.852 42.597 40.800 -0.091 0.000 1.135 265 D HN 0.018 nan 8.370 nan 0.000 0.484 266 P HA -0.181 nan 4.420 nan 0.000 0.217 266 P C 1.179 178.484 177.300 0.008 0.000 1.148 266 P CA 1.077 64.186 63.100 0.017 0.000 0.828 266 P CB 0.283 32.004 31.700 0.036 0.000 0.783 267 N N -0.300 118.417 118.700 0.029 0.000 2.300 267 N HA -0.035 4.700 4.740 -0.008 0.000 0.179 267 N C 0.864 176.505 175.510 0.217 0.000 1.016 267 N CA 1.521 54.618 53.050 0.077 0.000 0.876 267 N CB -0.763 37.762 38.487 0.063 0.000 0.979 267 N HN 0.138 nan 8.380 nan 0.000 0.432 268 G N -0.524 108.366 108.800 0.149 0.000 2.788 268 G HA2 -0.101 3.854 3.960 -0.008 0.000 0.301 268 G HA3 -0.101 3.854 3.960 -0.008 0.000 0.301 268 G C -0.197 174.758 174.900 0.092 0.000 1.000 268 G CA 0.153 45.318 45.100 0.109 0.000 1.267 268 G HN 0.455 nan 8.290 nan 0.000 0.578 269 S N 0.309 115.996 115.700 -0.022 0.000 2.784 269 S HA 0.359 4.824 4.470 -0.008 0.000 0.266 269 S C 0.971 175.542 174.600 -0.047 0.000 1.079 269 S CA 0.806 59.008 58.200 0.003 0.000 0.989 269 S CB 0.344 63.589 63.200 0.074 0.000 0.926 269 S HN 0.778 nan 8.310 nan 0.000 0.497 270 R N 0.171 120.601 120.500 -0.117 0.000 2.621 270 R HA 0.546 4.881 4.340 -0.008 0.000 0.284 270 R C -2.004 174.169 176.300 -0.212 0.000 0.998 270 R CA -0.543 55.497 56.100 -0.100 0.000 0.895 270 R CB 1.440 31.652 30.300 -0.146 0.000 1.195 270 R HN 0.180 nan 8.270 nan 0.000 0.450 271 Y N 1.250 121.518 120.300 -0.055 0.000 2.499 271 Y HA 0.427 4.972 4.550 -0.009 0.000 0.347 271 Y C -0.128 175.781 175.900 0.014 0.000 0.987 271 Y CA -0.890 57.208 58.100 -0.004 0.000 1.044 271 Y CB 2.108 40.577 38.460 0.016 0.000 1.245 271 Y HN 0.292 nan 8.280 nan 0.000 0.461 272 L N 4.315 125.653 121.223 0.192 0.000 2.307 272 L HA 0.484 4.819 4.340 -0.008 0.000 0.282 272 L C -0.948 176.046 176.870 0.207 0.000 1.051 272 L CA -0.528 54.402 54.840 0.150 0.000 0.804 272 L CB 0.874 42.995 42.059 0.103 0.000 1.197 272 L HN 0.439 nan 8.230 nan 0.000 0.431 273 L N 3.367 124.713 121.223 0.204 0.000 2.342 273 L HA 0.486 4.821 4.340 -0.008 0.000 0.276 273 L C 0.394 177.391 176.870 0.212 0.000 0.997 273 L CA -0.493 54.492 54.840 0.243 0.000 0.838 273 L CB 1.618 43.854 42.059 0.295 0.000 1.224 273 L HN 0.626 nan 8.230 nan 0.000 0.416 274 G N 0.849 109.732 108.800 0.139 0.000 2.420 274 G HA2 0.258 4.213 3.960 -0.008 0.000 0.284 274 G HA3 0.258 4.213 3.960 -0.008 0.000 0.284 274 G C -0.460 174.505 174.900 0.109 0.000 1.177 274 G CA -0.160 44.983 45.100 0.072 0.000 0.841 274 G HN 0.524 nan 8.290 nan 0.000 0.527 275 D N 0.612 121.052 120.400 0.066 0.000 2.789 275 D HA 0.343 4.978 4.640 -0.008 0.000 0.258 275 D C 1.357 177.699 176.300 0.070 0.000 1.215 275 D CA -0.102 53.961 54.000 0.106 0.000 1.113 275 D CB 0.844 41.681 40.800 0.062 0.000 0.953 275 D HN 0.305 nan 8.370 nan 0.000 0.252 276 M N -1.352 118.275 119.600 0.045 0.000 1.630 276 M HA 0.043 4.518 4.480 -0.008 0.000 0.299 276 M C 0.475 176.777 176.300 0.004 0.000 0.865 276 M CA 0.045 55.370 55.300 0.041 0.000 1.061 276 M CB 0.226 32.857 32.600 0.051 0.000 2.096 276 M HN 0.001 nan 8.290 nan 0.000 0.779 277 E N 0.744 120.934 120.200 -0.016 0.000 2.418 277 E HA 0.170 4.515 4.350 -0.008 0.000 0.197 277 E C 0.820 177.384 176.600 -0.060 0.000 1.026 277 E CA 1.436 57.800 56.400 -0.059 0.000 0.862 277 E CB 0.157 29.828 29.700 -0.049 0.000 0.799 277 E HN 0.685 nan 8.360 nan 0.000 0.518 278 G N 0.709 109.482 108.800 -0.045 0.000 2.207 278 G HA2 -0.257 3.698 3.960 -0.008 0.000 0.216 278 G HA3 -0.257 3.698 3.960 -0.008 0.000 0.216 278 G C -0.127 174.709 174.900 -0.108 0.000 1.053 278 G CA -0.002 45.063 45.100 -0.059 0.000 0.764 278 G HN 0.109 nan 8.290 nan 0.000 0.495 279 R N -1.254 119.157 120.500 -0.149 0.000 2.607 279 R HA 0.803 5.138 4.340 -0.008 0.000 0.261 279 R C -0.676 175.418 176.300 -0.343 0.000 1.051 279 R CA -0.881 55.034 56.100 -0.308 0.000 1.110 279 R CB 1.211 31.214 30.300 -0.495 0.000 1.158 279 R HN 0.248 nan 8.270 nan 0.000 0.543 280 L N 1.869 122.804 121.223 -0.479 0.000 2.439 280 L HA 0.458 4.793 4.340 -0.008 0.000 0.270 280 L C -1.655 174.957 176.870 -0.431 0.000 0.972 280 L CA -0.318 54.326 54.840 -0.326 0.000 0.836 280 L CB 1.286 43.256 42.059 -0.149 0.000 1.255 280 L HN 0.461 nan 8.230 nan 0.000 0.404 281 F N 4.275 124.229 119.950 0.007 0.000 2.507 281 F HA 0.653 5.175 4.527 -0.008 0.000 0.327 281 F C 0.148 175.940 175.800 -0.014 0.000 1.068 281 F CA -0.796 57.201 58.000 -0.004 0.000 0.965 281 F CB 2.024 41.025 39.000 0.002 0.000 1.192 281 F HN 0.403 nan 8.300 nan 0.000 0.476 282 M N 3.425 123.125 119.600 0.168 0.000 2.205 282 M HA 0.470 4.945 4.480 -0.008 0.000 0.344 282 M C -1.655 174.683 176.300 0.064 0.000 1.085 282 M CA -0.685 54.653 55.300 0.063 0.000 1.001 282 M CB 1.112 33.684 32.600 -0.046 0.000 1.626 282 M HN 0.509 nan 8.290 nan 0.000 0.442 283 L N 5.830 127.096 121.223 0.072 0.000 2.312 283 L HA 0.603 4.938 4.340 -0.008 0.000 0.281 283 L C -1.686 175.196 176.870 0.020 0.000 1.070 283 L CA -0.052 54.813 54.840 0.041 0.000 0.805 283 L CB 0.985 43.087 42.059 0.073 0.000 1.174 283 L HN 0.801 nan 8.230 nan 0.000 0.434 284 L N 6.250 127.456 121.223 -0.028 0.000 2.349 284 L HA 0.462 4.797 4.340 -0.008 0.000 0.278 284 L C -1.271 175.547 176.870 -0.087 0.000 0.996 284 L CA -0.626 54.185 54.840 -0.049 0.000 0.825 284 L CB 1.458 43.486 42.059 -0.052 0.000 1.243 284 L HN 0.586 nan 8.230 nan 0.000 0.412 285 L N 5.113 126.265 121.223 -0.117 0.000 2.255 285 L HA 0.298 4.633 4.340 -0.008 0.000 0.289 285 L C 0.137 176.938 176.870 -0.115 0.000 1.046 285 L CA -0.644 54.066 54.840 -0.215 0.000 0.816 285 L CB 0.972 42.747 42.059 -0.473 0.000 1.197 285 L HN 0.511 nan 8.230 nan 0.000 0.427 286 E N 4.448 124.587 120.200 -0.101 0.000 2.161 286 E HA 0.046 4.391 4.350 -0.008 0.000 0.263 286 E C -0.318 176.291 176.600 0.014 0.000 1.185 286 E CA 0.031 56.406 56.400 -0.042 0.000 0.938 286 E CB 0.409 30.073 29.700 -0.060 0.000 1.023 286 E HN 0.382 nan 8.360 nan 0.000 0.433 287 K N 2.328 122.772 120.400 0.074 0.000 2.379 287 K HA 0.035 4.350 4.320 -0.008 0.000 0.284 287 K C 0.230 176.844 176.600 0.023 0.000 1.044 287 K CA 0.140 56.485 56.287 0.098 0.000 0.974 287 K CB 0.450 33.005 32.500 0.091 0.000 0.962 287 K HN 0.246 nan 8.250 nan 0.000 0.474 288 E N 3.240 123.444 120.200 0.007 0.000 2.255 288 E HA 0.057 4.402 4.350 -0.008 0.000 0.245 288 E C -1.453 175.133 176.600 -0.023 0.000 0.909 288 E CA -0.601 55.791 56.400 -0.013 0.000 0.747 288 E CB 0.782 30.471 29.700 -0.018 0.000 1.215 288 E HN 0.373 nan 8.360 nan 0.000 0.424 289 E N 3.502 123.686 120.200 -0.027 0.000 2.257 289 E HA 0.073 4.418 4.350 -0.008 0.000 0.278 289 E C -0.643 175.941 176.600 -0.026 0.000 1.049 289 E CA -0.129 56.252 56.400 -0.033 0.000 0.876 289 E CB 0.475 30.155 29.700 -0.034 0.000 1.035 289 E HN 0.554 nan 8.360 nan 0.000 0.419 290 Q N 4.258 124.043 119.800 -0.025 0.000 2.306 290 Q HA 0.263 4.598 4.340 -0.008 0.000 0.269 290 Q C 0.468 176.457 176.000 -0.019 0.000 1.053 290 Q CA -0.999 54.792 55.803 -0.020 0.000 0.879 290 Q CB 0.970 29.697 28.738 -0.018 0.000 1.344 290 Q HN 0.406 nan 8.270 nan 0.000 0.464 291 M N 0.905 120.495 119.600 -0.016 0.000 3.424 291 M HA -0.243 4.232 4.480 -0.008 0.000 0.284 291 M C 1.397 177.688 176.300 -0.015 0.000 1.045 291 M CA 2.255 57.547 55.300 -0.014 0.000 1.057 291 M CB -1.214 31.379 32.600 -0.011 0.000 1.202 291 M HN 0.922 nan 8.290 nan 0.000 0.584 292 D N -1.317 119.075 120.400 -0.013 0.000 2.414 292 D HA 0.056 4.691 4.640 -0.008 0.000 0.237 292 D C 1.685 177.977 176.300 -0.014 0.000 0.975 292 D CA 1.143 55.135 54.000 -0.012 0.000 0.917 292 D CB -0.249 40.546 40.800 -0.009 0.000 1.061 292 D HN 0.472 nan 8.370 nan 0.000 0.480 293 G N 0.602 109.395 108.800 -0.012 0.000 2.657 293 G HA2 -0.123 3.832 3.960 -0.008 0.000 0.210 293 G HA3 -0.123 3.832 3.960 -0.008 0.000 0.210 293 G C 0.533 175.422 174.900 -0.018 0.000 1.145 293 G CA 1.436 46.529 45.100 -0.012 0.000 0.776 293 G HN 0.359 nan 8.290 nan 0.000 0.540 294 T N -1.654 112.886 114.554 -0.024 0.000 0.541 294 T HA -0.279 4.066 4.350 -0.008 0.000 0.774 294 T C 0.607 175.279 174.700 -0.046 0.000 0.992 294 T CA 0.725 62.803 62.100 -0.037 0.000 4.077 294 T CB -1.311 67.534 68.868 -0.040 0.000 2.303 294 T HN 1.283 nan 8.240 nan 0.000 0.398 295 V N -0.548 119.322 119.914 -0.073 0.000 2.509 295 V HA 0.490 4.605 4.120 -0.008 0.000 0.297 295 V C 0.627 176.679 176.094 -0.069 0.000 1.014 295 V CA 0.513 62.754 62.300 -0.098 0.000 1.127 295 V CB 0.483 32.188 31.823 -0.196 0.000 0.925 295 V HN 1.087 nan 8.190 nan 0.000 0.480 296 T N 4.957 119.489 114.554 -0.037 0.000 2.900 296 T HA 0.580 4.925 4.350 -0.008 0.000 0.295 296 T C -0.811 173.895 174.700 0.010 0.000 1.044 296 T CA -0.707 61.389 62.100 -0.006 0.000 0.995 296 T CB 1.484 70.346 68.868 -0.010 0.000 1.072 296 T HN 0.917 nan 8.240 nan 0.000 0.473 297 L N 4.648 125.871 121.223 -0.000 0.000 2.313 297 L HA 0.496 4.831 4.340 -0.008 0.000 0.282 297 L C 1.338 178.154 176.870 -0.090 0.000 1.092 297 L CA 0.301 55.100 54.840 -0.067 0.000 0.831 297 L CB 0.511 42.393 42.059 -0.295 0.000 1.159 297 L HN 0.765 nan 8.230 nan 0.000 0.442 298 K N 2.486 122.841 120.400 -0.075 0.000 2.099 298 K HA 0.079 4.393 4.320 -0.008 0.000 0.203 298 K C -0.132 176.409 176.600 -0.099 0.000 1.047 298 K CA 0.818 57.062 56.287 -0.072 0.000 0.963 298 K CB 0.286 32.757 32.500 -0.049 0.000 0.759 298 K HN 0.831 nan 8.250 nan 0.000 0.451 299 D N -1.627 118.701 120.400 -0.120 0.000 2.692 299 D HA 0.343 4.978 4.640 -0.008 0.000 0.290 299 D C -2.174 174.036 176.300 -0.150 0.000 1.281 299 D CA -0.631 53.293 54.000 -0.128 0.000 0.804 299 D CB 1.136 41.880 40.800 -0.093 0.000 1.331 299 D HN -0.082 nan 8.370 nan 0.000 0.432 300 L N 1.262 122.401 121.223 -0.141 0.000 2.365 300 L HA 0.684 5.019 4.340 -0.008 0.000 0.273 300 L C -0.530 176.277 176.870 -0.106 0.000 1.000 300 L CA -0.463 54.295 54.840 -0.137 0.000 0.819 300 L CB 1.778 43.749 42.059 -0.145 0.000 1.284 300 L HN 0.430 nan 8.230 nan 0.000 0.418 301 R N 1.687 122.132 120.500 -0.092 0.000 2.651 301 R HA 0.876 5.211 4.340 -0.008 0.000 0.278 301 R C -1.855 174.405 176.300 -0.067 0.000 1.010 301 R CA -0.581 55.474 56.100 -0.075 0.000 0.896 301 R CB 2.217 32.481 30.300 -0.059 0.000 1.211 301 R HN 0.404 nan 8.270 nan 0.000 0.456 302 V N 1.778 121.650 119.914 -0.070 0.000 2.680 302 V HA 0.563 4.678 4.120 -0.008 0.000 0.309 302 V C -0.551 175.540 176.094 -0.006 0.000 1.052 302 V CA -0.819 61.446 62.300 -0.060 0.000 0.908 302 V CB 1.717 33.443 31.823 -0.162 0.000 1.001 302 V HN 0.776 nan 8.190 nan 0.000 0.431 303 E N 2.810 123.052 120.200 0.071 0.000 2.263 303 E HA 0.421 4.765 4.350 -0.008 0.000 0.268 303 E C -1.348 175.399 176.600 0.245 0.000 0.884 303 E CA -0.850 55.619 56.400 0.116 0.000 0.766 303 E CB 2.509 32.226 29.700 0.027 0.000 1.196 303 E HN 0.804 nan 8.360 nan 0.000 0.416 304 L N 5.529 126.948 121.223 0.327 0.000 2.462 304 L HA 0.117 4.452 4.340 -0.008 0.000 0.272 304 L C 0.027 176.956 176.870 0.098 0.000 1.166 304 L CA 0.198 55.166 54.840 0.213 0.000 0.880 304 L CB 0.325 42.487 42.059 0.170 0.000 1.142 304 L HN 0.767 nan 8.230 nan 0.000 0.473 305 L N 5.219 126.441 121.223 -0.002 0.000 2.408 305 L HA 0.518 4.853 4.340 -0.008 0.000 0.215 305 L C 1.072 178.017 176.870 0.126 0.000 1.081 305 L CA 0.409 55.307 54.840 0.098 0.000 0.840 305 L CB -0.327 41.717 42.059 -0.025 0.000 1.002 305 L HN 0.958 nan 8.230 nan 0.000 0.468 306 G N 0.749 109.525 108.800 -0.041 0.000 2.357 306 G HA2 0.003 3.958 3.960 -0.008 0.000 0.289 306 G HA3 0.003 3.958 3.960 -0.008 0.000 0.289 306 G C -1.630 173.191 174.900 -0.133 0.000 1.302 306 G CA -0.597 44.465 45.100 -0.063 0.000 0.936 306 G HN 0.141 nan 8.290 nan 0.000 0.513 307 E N -0.588 119.547 120.200 -0.108 0.000 2.151 307 E HA 0.660 5.005 4.350 -0.008 0.000 0.275 307 E C 0.178 176.722 176.600 -0.093 0.000 0.936 307 E CA -0.251 56.078 56.400 -0.119 0.000 0.777 307 E CB 1.901 31.533 29.700 -0.112 0.000 1.108 307 E HN 0.596 nan 8.360 nan 0.000 0.401 308 T N 1.995 116.491 114.554 -0.096 0.000 2.888 308 T HA 0.386 4.731 4.350 -0.008 0.000 0.283 308 T C 0.033 174.692 174.700 -0.070 0.000 1.013 308 T CA -0.203 61.847 62.100 -0.082 0.000 0.938 308 T CB 0.579 69.395 68.868 -0.086 0.000 1.298 308 T HN 0.663 nan 8.240 nan 0.000 0.580 309 S N 0.511 116.172 115.700 -0.066 0.000 2.632 309 S HA 0.458 4.923 4.470 -0.008 0.000 0.271 309 S C 0.331 174.908 174.600 -0.038 0.000 1.260 309 S CA -0.841 57.334 58.200 -0.041 0.000 1.010 309 S CB -0.126 63.051 63.200 -0.038 0.000 0.965 309 S HN 0.644 nan 8.310 nan 0.000 0.534 310 I N 1.924 122.491 120.570 -0.005 0.000 2.872 310 I HA 0.071 4.236 4.170 -0.008 0.000 0.287 310 I C 0.824 176.938 176.117 -0.005 0.000 1.197 310 I CA 0.098 61.405 61.300 0.011 0.000 1.390 310 I CB -0.642 37.400 38.000 0.069 0.000 1.400 310 I HN 0.769 nan 8.210 nan 0.000 0.544 311 A N 6.846 129.655 122.820 -0.018 0.000 2.276 311 A HA 0.244 4.559 4.320 -0.008 0.000 0.300 311 A C 1.055 178.629 177.584 -0.016 0.000 1.235 311 A CA -0.504 51.510 52.037 -0.038 0.000 0.867 311 A CB 0.603 19.572 19.000 -0.051 0.000 1.137 311 A HN 0.736 nan 8.150 nan 0.000 0.527 312 E N 0.304 120.492 120.200 -0.019 0.000 2.358 312 E HA 0.033 4.378 4.350 -0.008 0.000 0.195 312 E C 0.245 176.840 176.600 -0.008 0.000 1.010 312 E CA 1.276 57.673 56.400 -0.004 0.000 0.856 312 E CB -0.089 29.612 29.700 0.003 0.000 0.795 312 E HN 0.923 nan 8.360 nan 0.000 0.504 313 C N -1.602 117.689 119.300 -0.016 0.000 3.224 313 C HA 0.622 5.077 4.460 -0.008 0.000 0.348 313 C C -1.931 173.054 174.990 -0.008 0.000 1.242 313 C CA -1.569 57.442 59.018 -0.011 0.000 1.180 313 C CB 0.155 27.905 27.740 0.016 0.000 1.458 313 C HN 0.031 nan 8.230 nan 0.000 0.485 314 L N 0.175 121.410 121.223 0.020 0.000 2.465 314 L HA 0.996 5.331 4.340 -0.008 0.000 0.257 314 L C -0.126 176.815 176.870 0.118 0.000 0.988 314 L CA -0.603 54.267 54.840 0.048 0.000 0.827 314 L CB 1.500 43.566 42.059 0.011 0.000 1.397 314 L HN 1.152 nan 8.230 nan 0.000 0.410 315 T N -1.838 112.826 114.554 0.182 0.000 2.881 315 T HA 0.576 4.921 4.350 -0.008 0.000 0.290 315 T C -0.791 174.030 174.700 0.202 0.000 1.000 315 T CA -0.515 61.696 62.100 0.185 0.000 0.978 315 T CB 1.036 69.998 68.868 0.157 0.000 0.997 315 T HN 0.684 nan 8.240 nan 0.000 0.443 316 Y N 3.794 124.136 120.300 0.071 0.000 2.411 316 Y HA 0.470 5.016 4.550 -0.007 0.000 0.333 316 Y C 0.113 176.042 175.900 0.048 0.000 1.186 316 Y CA -0.604 57.528 58.100 0.053 0.000 1.381 316 Y CB 0.446 38.921 38.460 0.025 0.000 1.273 316 Y HN 0.758 nan 8.280 nan 0.000 0.546 317 L N 2.449 123.287 121.223 -0.640 0.000 2.639 317 L HA 0.408 4.743 4.340 -0.008 0.000 0.183 317 L C -0.314 176.109 176.870 -0.745 0.000 1.308 317 L CA 0.191 54.734 54.840 -0.496 0.000 0.875 317 L CB 0.071 41.978 42.059 -0.254 0.000 1.189 317 L HN 0.605 nan 8.230 nan 0.000 0.523 318 D N -2.993 116.975 120.400 -0.720 0.000 2.742 318 D HA 0.204 4.839 4.640 -0.008 0.000 0.262 318 D C -1.152 175.025 176.300 -0.204 0.000 1.240 318 D CA -0.551 53.148 54.000 -0.502 0.000 0.752 318 D CB 0.819 41.513 40.800 -0.176 0.000 1.290 318 D HN 0.153 nan 8.370 nan 0.000 0.420 319 N N 0.582 119.293 118.700 0.018 0.000 2.741 319 N HA -0.131 4.604 4.740 -0.008 0.000 0.250 319 N C 0.672 176.253 175.510 0.118 0.000 1.115 319 N CA 1.947 55.041 53.050 0.073 0.000 0.724 319 N CB -1.075 37.428 38.487 0.026 0.000 1.090 319 N HN 0.924 nan 8.380 nan 0.000 0.558 320 G N -2.793 106.171 108.800 0.275 0.000 2.143 320 G HA2 -0.287 3.668 3.960 -0.008 0.000 0.248 320 G HA3 -0.287 3.668 3.960 -0.008 0.000 0.248 320 G C -0.009 175.005 174.900 0.190 0.000 0.991 320 G CA 0.254 45.540 45.100 0.311 0.000 0.689 320 G HN 0.540 nan 8.290 nan 0.000 0.522 321 V N 0.474 120.422 119.914 0.057 0.000 2.407 321 V HA 0.637 4.752 4.120 -0.008 0.000 0.278 321 V C 0.494 176.588 176.094 -0.000 0.000 1.037 321 V CA -0.590 61.716 62.300 0.010 0.000 0.900 321 V CB 1.764 33.566 31.823 -0.035 0.000 0.983 321 V HN 0.301 nan 8.190 nan 0.000 0.459 322 V N 5.205 125.170 119.914 0.085 0.000 2.656 322 V HA 0.459 4.574 4.120 -0.008 0.000 0.307 322 V C -0.725 175.457 176.094 0.147 0.000 1.051 322 V CA -0.737 61.637 62.300 0.124 0.000 0.893 322 V CB 1.962 33.873 31.823 0.148 0.000 0.999 322 V HN 0.694 nan 8.190 nan 0.000 0.426 323 F N 4.775 124.741 119.950 0.028 0.000 2.405 323 F HA 0.654 5.176 4.527 -0.008 0.000 0.355 323 F C -0.144 175.686 175.800 0.049 0.000 1.121 323 F CA -0.572 57.455 58.000 0.044 0.000 1.112 323 F CB 1.313 40.318 39.000 0.008 0.000 1.126 323 F HN 0.263 nan 8.300 nan 0.000 0.481 324 V N 6.265 125.657 119.914 -0.870 0.000 2.318 324 V HA 0.381 4.496 4.120 -0.008 0.000 0.271 324 V C 0.669 176.178 176.094 -0.974 0.000 1.030 324 V CA -0.615 61.286 62.300 -0.664 0.000 0.844 324 V CB 0.752 32.366 31.823 -0.348 0.000 1.015 324 V HN 0.982 nan 8.190 nan 0.000 0.460 325 G N 3.096 111.522 108.800 -0.623 0.000 2.530 325 G HA2 0.374 4.329 3.960 -0.008 0.000 0.313 325 G HA3 0.374 4.329 3.960 -0.008 0.000 0.313 325 G C 0.133 174.964 174.900 -0.115 0.000 0.971 325 G CA -0.056 44.888 45.100 -0.260 0.000 1.237 325 G HN 0.669 nan 8.290 nan 0.000 0.446 326 S N 1.810 117.454 115.700 -0.095 0.000 2.525 326 S HA 0.466 4.931 4.470 -0.008 0.000 0.290 326 S C 1.047 175.649 174.600 0.003 0.000 1.152 326 S CA -0.828 57.348 58.200 -0.040 0.000 1.072 326 S CB 1.849 65.022 63.200 -0.044 0.000 1.027 326 S HN 0.625 nan 8.310 nan 0.000 0.500 327 R N 2.877 123.380 120.500 0.006 0.000 2.394 327 R HA 0.429 4.764 4.340 -0.008 0.000 0.220 327 R C 1.087 177.389 176.300 0.003 0.000 0.887 327 R CA 0.236 56.341 56.100 0.009 0.000 1.034 327 R CB 0.028 30.330 30.300 0.002 0.000 1.179 327 R HN 0.714 nan 8.270 nan 0.000 0.561 328 L N -0.576 120.652 121.223 0.009 0.000 2.463 328 L HA 0.378 4.713 4.340 -0.008 0.000 0.219 328 L C 1.029 177.910 176.870 0.018 0.000 1.088 328 L CA 0.423 55.267 54.840 0.007 0.000 0.849 328 L CB 0.772 42.855 42.059 0.041 0.000 1.012 328 L HN 0.204 nan 8.230 nan 0.000 0.468 329 G N -1.578 107.234 108.800 0.021 0.000 2.870 329 G HA2 0.249 4.204 3.960 -0.008 0.000 0.299 329 G HA3 0.249 4.204 3.960 -0.008 0.000 0.299 329 G C -1.594 173.315 174.900 0.015 0.000 1.324 329 G CA -0.519 44.592 45.100 0.019 0.000 0.808 329 G HN -0.195 nan 8.290 nan 0.000 0.535 330 D N 1.087 121.493 120.400 0.011 0.000 2.450 330 D HA 0.368 5.003 4.640 -0.008 0.000 0.247 330 D C 0.741 177.039 176.300 -0.003 0.000 1.162 330 D CA 0.492 54.502 54.000 0.017 0.000 0.879 330 D CB 1.176 41.976 40.800 -0.001 0.000 1.163 330 D HN 0.150 nan 8.370 nan 0.000 0.472 331 S N 1.535 117.262 115.700 0.045 0.000 2.600 331 S HA 0.307 4.772 4.470 -0.008 0.000 0.265 331 S C 0.440 175.029 174.600 -0.018 0.000 1.325 331 S CA -0.534 57.669 58.200 0.005 0.000 1.002 331 S CB 0.818 64.097 63.200 0.132 0.000 0.921 331 S HN 0.485 nan 8.310 nan 0.000 0.554 332 Q N -0.129 119.576 119.800 -0.159 0.000 2.707 332 Q HA 0.761 5.096 4.340 -0.008 0.000 0.307 332 Q C -1.961 173.962 176.000 -0.128 0.000 0.934 332 Q CA -1.062 54.567 55.803 -0.291 0.000 0.753 332 Q CB 1.074 29.655 28.738 -0.262 0.000 1.478 332 Q HN 0.393 nan 8.270 nan 0.000 0.458 333 L N 1.550 122.669 121.223 -0.173 0.000 2.381 333 L HA 0.721 5.056 4.340 -0.008 0.000 0.274 333 L C -1.334 175.520 176.870 -0.028 0.000 0.988 333 L CA -0.563 54.311 54.840 0.057 0.000 0.824 333 L CB 2.112 44.286 42.059 0.192 0.000 1.263 333 L HN 0.680 nan 8.230 nan 0.000 0.410 334 V N 1.433 121.353 119.914 0.009 0.000 2.914 334 V HA 0.773 4.888 4.120 -0.008 0.000 0.314 334 V C -0.703 175.411 176.094 0.034 0.000 1.084 334 V CA -0.955 61.344 62.300 -0.000 0.000 0.963 334 V CB 1.843 33.658 31.823 -0.014 0.000 1.025 334 V HN 0.730 nan 8.190 nan 0.000 0.432 335 K N 2.647 123.065 120.400 0.031 0.000 2.159 335 K HA 0.733 5.048 4.320 -0.008 0.000 0.266 335 K C -1.067 175.574 176.600 0.068 0.000 0.975 335 K CA -0.570 55.748 56.287 0.052 0.000 0.865 335 K CB 1.261 33.785 32.500 0.040 0.000 1.087 335 K HN 0.871 nan 8.250 nan 0.000 0.446 336 L N 3.325 124.604 121.223 0.093 0.000 2.334 336 L HA 0.500 4.835 4.340 -0.008 0.000 0.272 336 L C -0.194 176.750 176.870 0.123 0.000 1.020 336 L CA -1.131 53.772 54.840 0.105 0.000 0.812 336 L CB 1.641 43.751 42.059 0.085 0.000 1.264 336 L HN 0.651 nan 8.230 nan 0.000 0.439 337 N N -0.463 118.358 118.700 0.202 0.000 2.370 337 N HA 0.305 5.040 4.740 -0.008 0.000 0.303 337 N C 0.658 176.352 175.510 0.307 0.000 1.103 337 N CA -0.590 52.612 53.050 0.253 0.000 0.848 337 N CB 2.234 40.872 38.487 0.252 0.000 1.235 337 N HN 0.405 nan 8.380 nan 0.000 0.496 338 V N -2.048 117.987 119.914 0.202 0.000 2.346 338 V HA 0.104 4.219 4.120 -0.008 0.000 0.244 338 V C 0.455 176.736 176.094 0.312 0.000 1.037 338 V CA 1.270 63.672 62.300 0.169 0.000 1.029 338 V CB -0.198 31.677 31.823 0.088 0.000 0.663 338 V HN 0.495 nan 8.190 nan 0.000 0.454 339 D N 1.362 121.896 120.400 0.223 0.000 2.408 339 D HA 0.380 5.015 4.640 -0.008 0.000 0.243 339 D C -0.299 175.937 176.300 -0.106 0.000 1.075 339 D CA 0.051 54.119 54.000 0.114 0.000 0.832 339 D CB 2.022 42.848 40.800 0.042 0.000 1.162 339 D HN 0.540 nan 8.370 nan 0.000 0.515 340 S N 2.829 118.223 115.700 -0.509 0.000 2.548 340 S HA 0.267 4.732 4.470 -0.008 0.000 0.277 340 S C 0.701 175.100 174.600 -0.335 0.000 1.315 340 S CA -0.614 57.138 58.200 -0.747 0.000 1.050 340 S CB 0.960 63.345 63.200 -1.359 0.000 0.918 340 S HN 0.532 nan 8.310 nan 0.000 0.497 341 N N 2.460 121.019 118.700 -0.235 0.000 2.295 341 N HA 0.147 4.882 4.740 -0.008 0.000 0.273 341 N C -0.438 174.997 175.510 -0.125 0.000 1.318 341 N CA -0.593 52.374 53.050 -0.138 0.000 0.935 341 N CB -0.574 37.857 38.487 -0.093 0.000 1.061 341 N HN 0.843 nan 8.380 nan 0.000 0.462 342 E N -1.141 119.005 120.200 -0.090 0.000 2.414 342 E HA 0.031 4.376 4.350 -0.008 0.000 0.263 342 E C -0.642 175.907 176.600 -0.085 0.000 1.000 342 E CA -0.286 56.068 56.400 -0.076 0.000 0.914 342 E CB 0.109 29.775 29.700 -0.057 0.000 0.948 342 E HN 0.493 nan 8.360 nan 0.000 0.444 343 Q N 1.559 121.313 119.800 -0.077 0.000 2.494 343 Q HA -0.243 4.092 4.340 -0.008 0.000 0.266 343 Q C 0.684 176.630 176.000 -0.090 0.000 1.053 343 Q CA 0.473 56.231 55.803 -0.074 0.000 1.029 343 Q CB -2.101 26.596 28.738 -0.068 0.000 1.423 343 Q HN 1.240 nan 8.270 nan 0.000 0.516 344 G N 0.287 109.014 108.800 -0.122 0.000 2.283 344 G HA2 -0.364 3.591 3.960 -0.008 0.000 0.280 344 G HA3 -0.364 3.591 3.960 -0.008 0.000 0.280 344 G C -0.064 174.714 174.900 -0.203 0.000 1.029 344 G CA 0.663 45.661 45.100 -0.170 0.000 0.840 344 G HN 0.522 nan 8.290 nan 0.000 0.505 345 S N -0.727 114.855 115.700 -0.197 0.000 2.410 345 S HA 0.581 5.045 4.470 -0.008 0.000 0.304 345 S C 1.120 175.617 174.600 -0.170 0.000 1.095 345 S CA -0.578 57.544 58.200 -0.131 0.000 1.089 345 S CB 0.365 63.514 63.200 -0.084 0.000 0.968 345 S HN 0.299 nan 8.310 nan 0.000 0.480 346 Y N 3.328 123.610 120.300 -0.030 0.000 2.523 346 Y HA 0.219 4.763 4.550 -0.009 0.000 0.279 346 Y C 0.615 176.503 175.900 -0.020 0.000 1.139 346 Y CA -0.099 57.990 58.100 -0.020 0.000 1.296 346 Y CB 0.497 38.948 38.460 -0.015 0.000 1.045 346 Y HN 0.401 nan 8.280 nan 0.000 0.538 347 V N 1.148 121.120 119.914 0.098 0.000 2.398 347 V HA 0.452 4.567 4.120 -0.008 0.000 0.286 347 V C -0.356 175.742 176.094 0.007 0.000 1.026 347 V CA -1.066 61.261 62.300 0.045 0.000 0.868 347 V CB 1.595 33.425 31.823 0.013 0.000 0.982 347 V HN -0.226 nan 8.190 nan 0.000 0.443 348 V N 3.190 123.107 119.914 0.004 0.000 2.577 348 V HA 0.677 4.792 4.120 -0.008 0.000 0.303 348 V C 0.377 176.456 176.094 -0.025 0.000 1.042 348 V CA -0.833 61.459 62.300 -0.014 0.000 0.872 348 V CB 1.915 33.733 31.823 -0.009 0.000 0.998 348 V HN 1.028 nan 8.190 nan 0.000 0.423 349 A N 5.569 128.363 122.820 -0.044 0.000 2.491 349 A HA 0.454 4.769 4.320 -0.008 0.000 0.261 349 A C 0.862 178.407 177.584 -0.065 0.000 1.101 349 A CA 0.177 52.173 52.037 -0.068 0.000 0.772 349 A CB 0.144 19.095 19.000 -0.082 0.000 1.043 349 A HN 0.910 nan 8.150 nan 0.000 0.501 350 M N 1.241 120.798 119.600 -0.072 0.000 2.384 350 M HA 0.121 4.596 4.480 -0.008 0.000 0.258 350 M C 0.480 176.718 176.300 -0.104 0.000 1.130 350 M CA 1.245 56.510 55.300 -0.058 0.000 1.187 350 M CB 0.004 32.591 32.600 -0.022 0.000 1.307 350 M HN 0.702 nan 8.290 nan 0.000 0.468 351 E N 0.396 120.473 120.200 -0.206 0.000 2.248 351 E HA 0.314 4.659 4.350 -0.008 0.000 0.267 351 E C -1.253 174.917 176.600 -0.717 0.000 0.877 351 E CA -0.335 55.837 56.400 -0.380 0.000 0.759 351 E CB 2.437 31.939 29.700 -0.330 0.000 1.182 351 E HN 0.023 nan 8.360 nan 0.000 0.418 352 T N 2.998 117.213 114.554 -0.565 0.000 2.821 352 T HA 0.361 4.706 4.350 -0.008 0.000 0.307 352 T C -0.539 173.923 174.700 -0.397 0.000 1.034 352 T CA -0.502 61.315 62.100 -0.470 0.000 0.953 352 T CB -0.169 68.581 68.868 -0.197 0.000 0.968 352 T HN 0.214 nan 8.240 nan 0.000 0.462 353 F N 2.103 122.077 119.950 0.039 0.000 2.390 353 F HA 0.348 4.870 4.527 -0.008 0.000 0.361 353 F C 1.459 177.284 175.800 0.042 0.000 1.124 353 F CA -1.115 56.917 58.000 0.054 0.000 1.149 353 F CB 0.708 39.764 39.000 0.094 0.000 1.160 353 F HN 0.364 nan 8.300 nan 0.000 0.501 354 T N 3.764 118.433 114.554 0.191 0.000 2.916 354 T HA 0.046 4.391 4.350 -0.008 0.000 0.303 354 T C -0.286 174.476 174.700 0.103 0.000 1.025 354 T CA -0.326 61.838 62.100 0.106 0.000 1.142 354 T CB 0.161 69.076 68.868 0.079 0.000 0.947 354 T HN 0.802 nan 8.240 nan 0.000 0.544 355 N N 4.645 123.386 118.700 0.068 0.000 2.371 355 N HA 0.208 4.943 4.740 -0.008 0.000 0.291 355 N C 0.472 176.000 175.510 0.030 0.000 1.053 355 N CA -0.691 52.392 53.050 0.056 0.000 0.870 355 N CB 1.535 40.058 38.487 0.060 0.000 1.503 355 N HN 0.609 nan 8.380 nan 0.000 0.485 356 L N 2.043 123.281 121.223 0.024 0.000 2.270 356 L HA 0.240 4.575 4.340 -0.008 0.000 0.210 356 L C 1.647 178.521 176.870 0.008 0.000 1.104 356 L CA 0.247 55.093 54.840 0.011 0.000 0.804 356 L CB -0.257 41.807 42.059 0.008 0.000 0.937 356 L HN 0.569 nan 8.230 nan 0.000 0.450 357 G N 0.117 108.926 108.800 0.014 0.000 2.554 357 G HA2 0.122 4.077 3.960 -0.008 0.000 0.238 357 G HA3 0.122 4.077 3.960 -0.008 0.000 0.238 357 G C -2.032 172.866 174.900 -0.003 0.000 1.259 357 G CA -0.745 44.361 45.100 0.011 0.000 0.843 357 G HN -0.013 nan 8.290 nan 0.000 0.582 358 P HA -0.002 nan 4.420 nan 0.000 0.216 358 P C 0.634 177.944 177.300 0.017 0.000 1.153 358 P CA 0.403 63.501 63.100 -0.003 0.000 0.844 358 P CB 0.093 31.776 31.700 -0.029 0.000 0.787 359 I N -2.342 118.233 120.570 0.007 0.000 7.202 359 I HA -0.165 4.000 4.170 -0.008 0.000 0.126 359 I C 0.717 176.852 176.117 0.029 0.000 1.836 359 I CA -0.351 60.959 61.300 0.015 0.000 2.038 359 I CB -1.082 36.930 38.000 0.021 0.000 3.612 359 I HN -0.196 nan 8.210 nan 0.000 0.169 360 V N 1.463 121.392 119.914 0.025 0.000 2.725 360 V HA 0.106 4.221 4.120 -0.008 0.000 0.247 360 V C 0.661 176.788 176.094 0.055 0.000 1.058 360 V CA 1.822 64.148 62.300 0.043 0.000 1.080 360 V CB -0.003 31.841 31.823 0.035 0.000 0.713 360 V HN 0.788 nan 8.190 nan 0.000 0.465 361 D N -0.856 119.573 120.400 0.048 0.000 2.599 361 D HA 0.618 5.253 4.640 -0.008 0.000 0.252 361 D C -0.978 175.354 176.300 0.053 0.000 1.232 361 D CA -0.534 53.503 54.000 0.062 0.000 0.819 361 D CB 2.043 42.892 40.800 0.082 0.000 1.401 361 D HN 0.178 nan 8.370 nan 0.000 0.429 362 M N 0.111 119.752 119.600 0.068 0.000 2.534 362 M HA 0.659 5.134 4.480 -0.008 0.000 0.280 362 M C -1.313 175.048 176.300 0.103 0.000 1.217 362 M CA -0.861 54.480 55.300 0.067 0.000 0.893 362 M CB 1.863 34.489 32.600 0.042 0.000 1.730 362 M HN 0.542 nan 8.290 nan 0.000 0.483 363 C N 0.045 119.418 119.300 0.121 0.000 2.994 363 C HA 0.963 5.418 4.460 -0.008 0.000 0.304 363 C C -0.508 174.560 174.990 0.130 0.000 1.273 363 C CA -0.781 58.327 59.018 0.150 0.000 1.537 363 C CB 1.611 29.476 27.740 0.209 0.000 2.001 363 C HN 0.842 nan 8.230 nan 0.000 0.471 364 V N 1.685 121.672 119.914 0.122 0.000 2.532 364 V HA 0.778 4.893 4.120 -0.008 0.000 0.295 364 V C -0.160 175.986 176.094 0.087 0.000 1.041 364 V CA -0.149 62.206 62.300 0.093 0.000 0.926 364 V CB 1.510 33.386 31.823 0.088 0.000 0.992 364 V HN 0.885 nan 8.190 nan 0.000 0.457 365 V N 2.840 122.783 119.914 0.048 0.000 2.932 365 V HA 0.396 4.511 4.120 -0.008 0.000 0.307 365 V C -1.387 174.699 176.094 -0.013 0.000 1.147 365 V CA -0.816 61.479 62.300 -0.009 0.000 0.951 365 V CB 2.592 34.333 31.823 -0.136 0.000 1.031 365 V HN 0.899 nan 8.190 nan 0.000 0.426 366 D N 3.415 123.812 120.400 -0.004 0.000 2.428 366 D HA 0.470 5.105 4.640 -0.008 0.000 0.221 366 D C 0.274 176.569 176.300 -0.008 0.000 1.123 366 D CA -0.092 53.910 54.000 0.003 0.000 0.869 366 D CB 1.739 42.549 40.800 0.018 0.000 1.032 366 D HN 0.266 nan 8.370 nan 0.000 0.506 367 L N 2.028 123.244 121.223 -0.013 0.000 2.588 367 L HA 0.216 4.551 4.340 -0.008 0.000 0.194 367 L C 1.130 178.025 176.870 0.041 0.000 1.070 367 L CA 0.744 55.581 54.840 -0.006 0.000 0.852 367 L CB -0.375 41.663 42.059 -0.035 0.000 1.199 367 L HN 0.365 nan 8.230 nan 0.000 0.486 368 E N 0.208 120.429 120.200 0.034 0.000 2.029 368 E HA 0.483 4.828 4.350 -0.008 0.000 0.276 368 E C 1.014 177.627 176.600 0.022 0.000 1.163 368 E CA 0.504 56.928 56.400 0.039 0.000 0.909 368 E CB -0.837 28.880 29.700 0.027 0.000 1.046 368 E HN 0.417 nan 8.360 nan 0.000 0.406 369 R N 1.517 122.035 120.500 0.030 0.000 3.977 369 R HA -0.371 3.964 4.340 -0.008 0.000 0.428 369 R C 1.750 178.053 176.300 0.004 0.000 1.079 369 R CA 2.556 58.663 56.100 0.011 0.000 1.269 369 R CB -2.984 27.309 30.300 -0.012 0.000 1.856 369 R HN 1.435 nan 8.270 nan 0.000 0.551 370 Q N -3.915 115.892 119.800 0.012 0.000 2.152 370 Q HA -0.167 4.168 4.340 -0.008 0.000 0.151 370 Q C 1.150 177.144 176.000 -0.010 0.000 0.711 370 Q CA 2.852 58.659 55.803 0.008 0.000 1.423 370 Q CB -2.313 26.433 28.738 0.014 0.000 1.466 370 Q HN 2.069 nan 8.270 nan 0.000 0.901 371 G N 1.580 110.365 108.800 -0.025 0.000 2.254 371 G HA2 0.139 4.094 3.960 -0.008 0.000 0.253 371 G HA3 0.139 4.094 3.960 -0.008 0.000 0.253 371 G C -0.100 174.778 174.900 -0.037 0.000 1.246 371 G CA -0.303 44.771 45.100 -0.043 0.000 0.946 371 G HN 0.086 nan 8.290 nan 0.000 0.474 372 Q N 1.146 120.926 119.800 -0.035 0.000 2.687 372 Q HA -0.016 4.319 4.340 -0.008 0.000 0.341 372 Q C 0.990 176.976 176.000 -0.023 0.000 1.074 372 Q CA 1.226 57.015 55.803 -0.023 0.000 1.115 372 Q CB 0.795 29.519 28.738 -0.023 0.000 0.996 372 Q HN 0.713 nan 8.270 nan 0.000 0.397 373 G N 2.542 111.337 108.800 -0.009 0.000 2.474 373 G HA2 0.084 4.039 3.960 -0.008 0.000 0.205 373 G HA3 0.084 4.039 3.960 -0.008 0.000 0.205 373 G C 0.220 175.122 174.900 0.004 0.000 1.934 373 G CA 0.408 45.509 45.100 0.002 0.000 0.713 373 G HN 0.622 nan 8.290 nan 0.000 0.773 374 Q N -0.306 119.500 119.800 0.009 0.000 1.798 374 Q HA 0.197 4.532 4.340 -0.008 0.000 0.173 374 Q C -0.315 175.698 176.000 0.021 0.000 0.780 374 Q CA -0.179 55.634 55.803 0.016 0.000 0.866 374 Q CB -0.659 28.087 28.738 0.014 0.000 1.234 374 Q HN 0.488 nan 8.270 nan 0.000 0.390 375 L N -0.479 120.754 121.223 0.017 0.000 2.334 375 L HA 0.787 5.121 4.340 -0.008 0.000 0.277 375 L C -0.076 176.807 176.870 0.022 0.000 1.075 375 L CA -1.231 53.619 54.840 0.017 0.000 0.804 375 L CB 1.260 43.324 42.059 0.007 0.000 1.174 375 L HN -0.236 nan 8.230 nan 0.000 0.438 376 V N 1.427 121.351 119.914 0.017 0.000 2.435 376 V HA 0.443 4.558 4.120 -0.008 0.000 0.290 376 V C 0.187 176.277 176.094 -0.007 0.000 1.030 376 V CA -0.193 62.118 62.300 0.019 0.000 0.881 376 V CB 1.704 33.535 31.823 0.013 0.000 0.983 376 V HN 0.935 nan 8.190 nan 0.000 0.445 377 T N 4.166 118.716 114.554 -0.007 0.000 2.794 377 T HA 0.575 4.920 4.350 -0.008 0.000 0.280 377 T C -0.004 174.673 174.700 -0.038 0.000 0.987 377 T CA -0.433 61.619 62.100 -0.080 0.000 0.993 377 T CB 1.182 69.924 68.868 -0.210 0.000 0.939 377 T HN 1.024 nan 8.240 nan 0.000 0.449 378 C N 1.507 120.775 119.300 -0.054 0.000 3.955 378 C HA 0.962 5.417 4.460 -0.008 0.000 0.320 378 C C 0.354 175.323 174.990 -0.035 0.000 4.237 378 C CA -0.413 58.591 59.018 -0.023 0.000 1.624 378 C CB 1.133 28.864 27.740 -0.013 0.000 4.845 378 C HN 0.773 nan 8.230 nan 0.000 0.538 379 S N -1.325 114.362 115.700 -0.021 0.000 3.629 379 S HA 0.854 5.319 4.470 -0.008 0.000 0.319 379 S C -0.001 174.584 174.600 -0.024 0.000 1.149 379 S CA 0.270 58.455 58.200 -0.025 0.000 1.099 379 S CB 0.783 63.979 63.200 -0.007 0.000 1.433 379 S HN 1.417 nan 8.310 nan 0.000 0.736 380 G N -0.250 108.535 108.800 -0.024 0.000 3.217 380 G HA2 0.779 4.734 3.960 -0.008 0.000 0.213 380 G HA3 0.779 4.734 3.960 -0.008 0.000 0.213 380 G C -1.339 173.542 174.900 -0.031 0.000 1.294 380 G CA -0.311 44.770 45.100 -0.031 0.000 0.987 380 G HN 1.467 nan 8.290 nan 0.000 0.584 381 A N -2.175 120.632 122.820 -0.022 0.000 1.985 381 A HA 0.564 4.879 4.320 -0.008 0.000 0.278 381 A C -0.970 176.647 177.584 0.055 0.000 0.983 381 A CA -0.320 51.693 52.037 -0.040 0.000 0.910 381 A CB -0.534 18.380 19.000 -0.143 0.000 0.978 381 A HN 1.844 nan 8.150 nan 0.000 0.336 382 F N 0.637 120.580 119.950 -0.012 0.000 2.315 382 F HA 0.012 4.535 4.527 -0.008 0.000 0.314 382 F C 1.207 177.010 175.800 0.005 0.000 0.639 382 F CA 0.423 58.417 58.000 -0.011 0.000 0.903 382 F CB -0.373 38.624 39.000 -0.005 0.000 4.052 382 F HN 0.833 nan 8.300 nan 0.000 0.148 383 K N 1.575 122.077 120.400 0.169 0.000 2.678 383 K HA -0.087 4.228 4.320 -0.008 0.000 0.194 383 K C 0.158 176.874 176.600 0.194 0.000 1.031 383 K CA 2.428 58.777 56.287 0.103 0.000 0.961 383 K CB -0.376 32.137 32.500 0.021 0.000 0.793 383 K HN 0.550 nan 8.250 nan 0.000 0.492 384 E N -0.802 119.498 120.200 0.166 0.000 2.722 384 E HA 0.067 4.412 4.350 -0.008 0.000 0.179 384 E C -0.026 176.588 176.600 0.025 0.000 0.918 384 E CA -0.185 56.277 56.400 0.103 0.000 1.334 384 E CB 0.596 30.357 29.700 0.102 0.000 1.064 384 E HN 0.423 nan 8.360 nan 0.000 0.513 385 G N 1.947 110.763 108.800 0.027 0.000 2.752 385 G HA2 0.092 4.047 3.960 -0.008 0.000 0.226 385 G HA3 0.092 4.047 3.960 -0.008 0.000 0.226 385 G C 0.131 174.969 174.900 -0.102 0.000 1.185 385 G CA 0.835 45.913 45.100 -0.036 0.000 0.854 385 G HN 0.182 nan 8.290 nan 0.000 0.540 386 S N 0.381 116.022 115.700 -0.097 0.000 2.558 386 S HA 0.458 4.923 4.470 -0.008 0.000 0.277 386 S C -0.751 173.789 174.600 -0.100 0.000 1.143 386 S CA -1.063 57.061 58.200 -0.126 0.000 0.865 386 S CB 1.120 64.260 63.200 -0.099 0.000 1.102 386 S HN 0.664 nan 8.310 nan 0.000 0.454 387 L N 2.282 123.435 121.223 -0.116 0.000 2.380 387 L HA 0.513 4.848 4.340 -0.008 0.000 0.273 387 L C 0.338 177.144 176.870 -0.106 0.000 1.138 387 L CA -0.414 54.354 54.840 -0.121 0.000 0.832 387 L CB 0.262 42.218 42.059 -0.171 0.000 1.124 387 L HN 0.478 nan 8.230 nan 0.000 0.454 388 R N 4.345 124.791 120.500 -0.090 0.000 2.387 388 R HA 0.551 4.886 4.340 -0.008 0.000 0.314 388 R C -0.776 175.476 176.300 -0.080 0.000 0.958 388 R CA -0.605 55.454 56.100 -0.068 0.000 0.846 388 R CB 1.327 31.605 30.300 -0.038 0.000 1.147 388 R HN 0.528 nan 8.270 nan 0.000 0.447 389 I N 4.967 125.493 120.570 -0.073 0.000 2.307 389 I HA 0.383 4.548 4.170 -0.008 0.000 0.289 389 I C 0.052 176.158 176.117 -0.020 0.000 1.021 389 I CA -0.379 60.879 61.300 -0.070 0.000 1.224 389 I CB 0.848 38.796 38.000 -0.086 0.000 1.376 389 I HN 0.350 nan 8.210 nan 0.000 0.470 390 I N 7.499 128.063 120.570 -0.009 0.000 2.382 390 I HA 0.491 4.656 4.170 -0.008 0.000 0.286 390 I C 0.012 176.146 176.117 0.028 0.000 1.002 390 I CA -0.561 60.749 61.300 0.017 0.000 1.135 390 I CB 0.977 38.982 38.000 0.009 0.000 1.288 390 I HN 0.635 nan 8.210 nan 0.000 0.448 391 R N 3.437 123.969 120.500 0.053 0.000 2.905 391 R HA 0.630 4.965 4.340 -0.008 0.000 0.260 391 R C -1.218 175.141 176.300 0.097 0.000 1.086 391 R CA -1.006 55.129 56.100 0.057 0.000 0.978 391 R CB 1.408 31.733 30.300 0.042 0.000 1.215 391 R HN 0.384 nan 8.270 nan 0.000 0.480 392 N N -0.975 117.778 118.700 0.088 0.000 2.284 392 N HA 0.651 5.386 4.740 -0.008 0.000 0.300 392 N C -1.319 174.260 175.510 0.117 0.000 1.047 392 N CA -0.017 53.102 53.050 0.115 0.000 0.821 392 N CB 2.288 40.816 38.487 0.069 0.000 1.337 392 N HN 0.906 nan 8.380 nan 0.000 0.482 393 G N 1.272 110.183 108.800 0.185 0.000 2.328 393 G HA2 0.254 4.209 3.960 -0.008 0.000 0.295 393 G HA3 0.254 4.209 3.960 -0.008 0.000 0.295 393 G C -1.441 173.553 174.900 0.156 0.000 1.413 393 G CA -0.728 44.438 45.100 0.110 0.000 0.817 393 G HN 0.449 nan 8.290 nan 0.000 0.546 394 I N 1.895 122.505 120.570 0.067 0.000 2.322 394 I HA 0.380 4.545 4.170 -0.008 0.000 0.292 394 I C 1.249 177.338 176.117 -0.046 0.000 1.060 394 I CA -0.228 61.114 61.300 0.069 0.000 1.309 394 I CB 0.860 38.898 38.000 0.063 0.000 1.415 394 I HN 0.566 nan 8.210 nan 0.000 0.492 395 G N 7.412 116.157 108.800 -0.092 0.000 2.476 395 G HA2 0.501 4.456 3.960 -0.008 0.000 0.269 395 G HA3 0.501 4.456 3.960 -0.008 0.000 0.269 395 G C -0.318 174.393 174.900 -0.315 0.000 1.195 395 G CA -0.468 44.457 45.100 -0.293 0.000 0.843 395 G HN 0.385 nan 8.290 nan 0.000 0.545 396 I N 0.924 121.309 120.570 -0.308 0.000 2.441 396 I HA 0.247 4.412 4.170 -0.008 0.000 0.295 396 I C -0.478 175.410 176.117 -0.382 0.000 0.994 396 I CA -0.990 60.120 61.300 -0.318 0.000 1.144 396 I CB 1.500 39.417 38.000 -0.138 0.000 1.314 396 I HN 0.510 nan 8.210 nan 0.000 0.445 397 H N 4.172 123.176 119.070 -0.110 0.000 2.641 397 H HA 0.277 4.828 4.556 -0.008 0.000 0.295 397 H C -0.318 174.765 175.328 -0.408 0.000 1.070 397 H CA -0.560 55.371 56.048 -0.196 0.000 1.257 397 H CB 0.635 30.306 29.762 -0.152 0.000 1.393 397 H HN 0.413 nan 8.280 nan 0.000 0.464 398 E N 2.174 122.270 120.200 -0.172 0.000 2.376 398 E HA -0.023 4.322 4.350 -0.008 0.000 0.266 398 E C -0.010 176.458 176.600 -0.221 0.000 1.009 398 E CA 0.324 56.620 56.400 -0.173 0.000 0.902 398 E CB 0.841 30.510 29.700 -0.051 0.000 0.972 398 E HN 0.793 nan 8.360 nan 0.000 0.439 399 H N 0.556 119.683 119.070 0.094 0.000 3.058 399 H HA 0.353 4.904 4.556 -0.008 0.000 0.258 399 H C -0.138 175.289 175.328 0.166 0.000 1.015 399 H CA 0.040 56.181 56.048 0.156 0.000 1.210 399 H CB 1.150 31.062 29.762 0.249 0.000 1.481 399 H HN 0.488 nan 8.280 nan 0.000 0.492 400 A N 0.257 123.165 122.820 0.146 0.000 2.594 400 A HA 0.647 4.962 4.320 -0.008 0.000 0.295 400 A C -1.154 176.430 177.584 -0.001 0.000 1.071 400 A CA -0.604 51.482 52.037 0.083 0.000 0.685 400 A CB 1.925 20.962 19.000 0.062 0.000 1.285 400 A HN 0.019 nan 8.150 nan 0.000 0.405 401 S N 0.876 116.585 115.700 0.015 0.000 2.653 401 S HA 0.584 5.049 4.470 -0.008 0.000 0.268 401 S C -1.380 173.230 174.600 0.016 0.000 1.153 401 S CA -0.398 57.803 58.200 0.002 0.000 1.036 401 S CB 0.094 63.298 63.200 0.008 0.000 1.103 401 S HN 0.614 nan 8.310 nan 0.000 0.466 402 I N 3.113 123.690 120.570 0.013 0.000 2.441 402 I HA 0.382 4.547 4.170 -0.008 0.000 0.295 402 I C -0.456 175.682 176.117 0.035 0.000 0.994 402 I CA -0.864 60.452 61.300 0.028 0.000 1.144 402 I CB 1.583 39.604 38.000 0.034 0.000 1.314 402 I HN 0.469 nan 8.210 nan 0.000 0.445 403 D N 6.801 127.223 120.400 0.036 0.000 2.367 403 D HA 0.245 4.880 4.640 -0.008 0.000 0.255 403 D C -0.737 175.595 176.300 0.054 0.000 1.300 403 D CA 0.273 54.297 54.000 0.040 0.000 0.959 403 D CB 0.889 41.707 40.800 0.031 0.000 1.064 403 D HN 0.071 nan 8.370 nan 0.000 0.509 404 L N 5.734 127.006 121.223 0.082 0.000 2.563 404 L HA 0.317 4.652 4.340 -0.008 0.000 0.259 404 L C -2.677 174.309 176.870 0.194 0.000 1.034 404 L CA -1.821 53.099 54.840 0.134 0.000 0.899 404 L CB 1.988 44.148 42.059 0.169 0.000 1.159 404 L HN 0.027 nan 8.230 nan 0.000 0.456 405 P HA 0.513 nan 4.420 nan 0.000 0.286 405 P C 0.488 177.946 177.300 0.262 0.000 1.261 405 P CA 0.129 63.327 63.100 0.165 0.000 0.821 405 P CB 1.603 33.362 31.700 0.099 0.000 1.013 406 G N 1.910 110.840 108.800 0.216 0.000 2.149 406 G HA2 -0.217 3.738 3.960 -0.008 0.000 0.235 406 G HA3 -0.217 3.738 3.960 -0.008 0.000 0.235 406 G C 0.115 175.148 174.900 0.221 0.000 1.018 406 G CA -0.364 44.877 45.100 0.235 0.000 0.728 406 G HN 0.508 nan 8.290 nan 0.000 0.508 407 I N -0.101 120.516 120.570 0.078 0.000 2.775 407 I HA 0.085 4.250 4.170 -0.008 0.000 0.290 407 I C 1.195 177.212 176.117 -0.167 0.000 1.203 407 I CA 0.502 61.634 61.300 -0.280 0.000 1.433 407 I CB 0.563 38.425 38.000 -0.230 0.000 1.354 407 I HN -0.084 nan 8.210 nan 0.000 0.579 408 K N 4.463 124.625 120.400 -0.397 0.000 2.438 408 K HA 0.384 4.699 4.320 -0.008 0.000 0.205 408 K C 0.112 176.117 176.600 -0.991 0.000 1.033 408 K CA -0.100 55.915 56.287 -0.453 0.000 1.089 408 K CB 1.230 33.678 32.500 -0.085 0.000 0.857 408 K HN 0.947 nan 8.250 nan 0.000 0.522 409 G N 0.752 108.909 108.800 -1.071 0.000 2.368 409 G HA2 0.272 4.227 3.960 -0.008 0.000 0.303 409 G HA3 0.272 4.227 3.960 -0.008 0.000 0.303 409 G C -1.951 172.182 174.900 -1.278 0.000 1.590 409 G CA -0.968 43.386 45.100 -1.244 0.000 0.938 409 G HN 0.003 nan 8.290 nan 0.000 0.675 410 L N 0.532 120.815 121.223 -1.568 0.000 2.431 410 L HA 0.777 5.112 4.340 -0.008 0.000 0.266 410 L C -0.860 175.307 176.870 -1.172 0.000 0.978 410 L CA -0.726 53.511 54.840 -1.005 0.000 0.822 410 L CB 2.322 44.062 42.059 -0.531 0.000 1.310 410 L HN 0.614 nan 8.230 nan 0.000 0.409 411 W N 2.902 124.105 121.300 -0.162 0.000 3.097 411 W HA 0.354 5.009 4.660 -0.008 0.000 0.335 411 W C -2.627 173.741 176.519 -0.251 0.000 1.114 411 W CA -1.470 55.757 57.345 -0.196 0.000 1.231 411 W CB 2.166 31.480 29.460 -0.243 0.000 1.388 411 W HN 0.120 nan 8.180 nan 0.000 0.485 412 P HA 0.505 nan 4.420 nan 0.000 0.276 412 P C -0.868 176.228 177.300 -0.340 0.000 1.252 412 P CA -0.094 62.675 63.100 -0.551 0.000 0.802 412 P CB 2.224 33.088 31.700 -1.393 0.000 1.035 413 L N 0.269 121.353 121.223 -0.231 0.000 2.591 413 L HA 0.359 4.694 4.340 -0.008 0.000 0.257 413 L C -0.419 176.574 176.870 0.205 0.000 0.935 413 L CA -0.592 54.271 54.840 0.039 0.000 0.873 413 L CB 2.350 44.390 42.059 -0.032 0.000 1.397 413 L HN 0.280 nan 8.230 nan 0.000 0.414 414 R N 1.296 121.921 120.500 0.209 0.000 2.247 414 R HA 0.220 4.555 4.340 -0.008 0.000 0.329 414 R C 0.890 177.226 176.300 0.060 0.000 1.014 414 R CA -0.027 56.162 56.100 0.148 0.000 0.907 414 R CB 1.572 31.949 30.300 0.127 0.000 1.146 414 R HN 0.728 nan 8.270 nan 0.000 0.499 415 S N 1.432 117.147 115.700 0.024 0.000 2.383 415 S HA -0.135 4.330 4.470 -0.008 0.000 0.227 415 S C 0.787 175.387 174.600 -0.001 0.000 1.026 415 S CA 0.851 59.040 58.200 -0.019 0.000 0.981 415 S CB 0.084 63.258 63.200 -0.044 0.000 0.818 415 S HN 0.513 nan 8.310 nan 0.000 0.472 416 D N 2.648 123.055 120.400 0.013 0.000 2.316 416 D HA 0.319 4.954 4.640 -0.008 0.000 0.245 416 D C -1.398 174.913 176.300 0.019 0.000 1.171 416 D CA -2.500 51.508 54.000 0.013 0.000 0.856 416 D CB 1.736 42.543 40.800 0.011 0.000 1.090 416 D HN 0.118 nan 8.370 nan 0.000 0.476 417 P HA -0.093 nan 4.420 nan 0.000 0.219 417 P C 0.645 177.954 177.300 0.015 0.000 1.150 417 P CA 0.617 63.730 63.100 0.022 0.000 0.814 417 P CB 0.407 32.121 31.700 0.025 0.000 0.787 418 N N -0.587 118.120 118.700 0.011 0.000 2.453 418 N HA -0.064 4.671 4.740 -0.008 0.000 0.183 418 N C 0.939 176.450 175.510 0.002 0.000 1.041 418 N CA 0.728 53.782 53.050 0.006 0.000 0.900 418 N CB -0.408 38.082 38.487 0.006 0.000 0.961 418 N HN 0.115 nan 8.380 nan 0.000 0.443 419 R N 1.450 121.952 120.500 0.003 0.000 2.357 419 R HA 0.118 4.453 4.340 -0.008 0.000 0.296 419 R C 1.049 177.340 176.300 -0.016 0.000 1.052 419 R CA -0.145 55.953 56.100 -0.004 0.000 0.988 419 R CB 0.903 31.206 30.300 0.004 0.000 1.025 419 R HN 0.208 nan 8.270 nan 0.000 0.469 420 E N 0.976 121.158 120.200 -0.031 0.000 2.046 420 E HA -0.072 4.273 4.350 -0.008 0.000 0.190 420 E C 0.576 177.113 176.600 -0.106 0.000 0.982 420 E CA 1.222 57.589 56.400 -0.057 0.000 0.800 420 E CB -0.163 29.506 29.700 -0.052 0.000 0.756 420 E HN 0.663 nan 8.360 nan 0.000 0.449 421 T N -0.952 113.547 114.554 -0.091 0.000 2.828 421 T HA 0.213 4.558 4.350 -0.008 0.000 0.290 421 T C 0.386 175.041 174.700 -0.075 0.000 1.019 421 T CA -0.602 61.421 62.100 -0.128 0.000 1.031 421 T CB 0.348 69.192 68.868 -0.041 0.000 1.001 421 T HN -0.052 nan 8.240 nan 0.000 0.531 422 Y N 1.212 121.536 120.300 0.040 0.000 2.457 422 Y HA 0.253 4.798 4.550 -0.008 0.000 0.341 422 Y C 1.397 177.321 175.900 0.040 0.000 1.240 422 Y CA -0.339 57.786 58.100 0.042 0.000 1.437 422 Y CB 0.625 39.117 38.460 0.054 0.000 1.328 422 Y HN 0.909 nan 8.280 nan 0.000 0.588 423 D N -2.211 118.319 120.400 0.216 0.000 2.516 423 D HA 0.080 4.715 4.640 -0.008 0.000 0.241 423 D C -0.451 175.899 176.300 0.084 0.000 1.246 423 D CA 0.054 54.128 54.000 0.124 0.000 0.808 423 D CB 0.132 40.976 40.800 0.074 0.000 1.147 423 D HN 0.347 nan 8.370 nan 0.000 0.527 424 T N 0.868 115.462 114.554 0.068 0.000 2.886 424 T HA 0.545 4.890 4.350 -0.008 0.000 0.292 424 T C -1.283 173.410 174.700 -0.012 0.000 1.012 424 T CA -0.662 61.445 62.100 0.012 0.000 0.982 424 T CB 2.316 71.159 68.868 -0.041 0.000 1.018 424 T HN 0.053 nan 8.240 nan 0.000 0.451 425 L N 3.770 124.990 121.223 -0.005 0.000 2.325 425 L HA 0.734 5.069 4.340 -0.008 0.000 0.281 425 L C -1.062 175.826 176.870 0.029 0.000 1.004 425 L CA -0.591 54.239 54.840 -0.017 0.000 0.823 425 L CB 1.351 43.391 42.059 -0.032 0.000 1.236 425 L HN 0.521 nan 8.230 nan 0.000 0.415 426 V N 6.291 126.258 119.914 0.089 0.000 2.435 426 V HA 0.540 4.655 4.120 -0.008 0.000 0.290 426 V C -0.106 176.149 176.094 0.268 0.000 1.030 426 V CA -0.555 61.855 62.300 0.183 0.000 0.881 426 V CB 1.561 33.515 31.823 0.220 0.000 0.983 426 V HN 0.658 nan 8.190 nan 0.000 0.445 427 L N 3.606 124.936 121.223 0.178 0.000 2.341 427 L HA 0.892 5.227 4.340 -0.008 0.000 0.267 427 L C -0.116 176.769 176.870 0.025 0.000 1.009 427 L CA -0.624 54.226 54.840 0.016 0.000 0.819 427 L CB 2.178 44.127 42.059 -0.183 0.000 1.323 427 L HN 0.644 nan 8.230 nan 0.000 0.425 428 S N 0.220 115.843 115.700 -0.128 0.000 2.513 428 S HA 0.838 5.303 4.470 -0.008 0.000 0.299 428 S C -0.933 173.396 174.600 -0.451 0.000 1.087 428 S CA -0.583 57.573 58.200 -0.072 0.000 1.012 428 S CB 1.458 64.785 63.200 0.212 0.000 1.044 428 S HN 0.399 nan 8.310 nan 0.000 0.485 429 F N 0.398 120.396 119.950 0.079 0.000 0.000 429 F HA 0.528 5.050 4.527 -0.008 0.000 0.000 429 F C 1.606 177.453 175.800 0.078 0.000 0.000 429 F CA -1.272 56.769 58.000 0.067 0.000 0.000 429 F CB 0.371 39.404 39.000 0.054 0.000 0.000 429 F HN 0.389 nan 8.300 nan 0.000 0.000 430 V N 0.937 121.025 119.914 0.290 0.000 2.220 430 V HA -0.217 3.898 4.120 -0.008 0.000 0.246 430 V C 2.256 178.448 176.094 0.163 0.000 1.049 430 V CA 2.515 64.932 62.300 0.196 0.000 1.003 430 V CB -1.471 30.451 31.823 0.164 0.000 0.634 430 V HN 1.017 nan 8.190 nan 0.000 0.444 431 G N 0.175 109.066 108.800 0.151 0.000 2.628 431 G HA2 -0.165 3.790 3.960 -0.008 0.000 0.217 431 G HA3 -0.165 3.790 3.960 -0.008 0.000 0.217 431 G C 0.788 175.749 174.900 0.101 0.000 1.240 431 G CA 1.609 46.770 45.100 0.101 0.000 0.792 431 G HN 0.662 nan 8.290 nan 0.000 0.593 432 Q N -2.057 117.835 119.800 0.153 0.000 2.878 432 Q HA 0.356 4.691 4.340 -0.008 0.000 0.341 432 Q C -1.526 174.606 176.000 0.219 0.000 0.824 432 Q CA -0.570 55.312 55.803 0.130 0.000 0.811 432 Q CB 0.223 29.010 28.738 0.081 0.000 1.364 432 Q HN 0.083 nan 8.270 nan 0.000 0.514 433 T N 2.227 116.872 114.554 0.152 0.000 2.837 433 T HA 0.662 5.007 4.350 -0.008 0.000 0.285 433 T C -0.450 174.379 174.700 0.215 0.000 0.984 433 T CA -0.749 61.457 62.100 0.177 0.000 1.049 433 T CB 0.723 69.638 68.868 0.078 0.000 0.947 433 T HN 0.327 nan 8.240 nan 0.000 0.472 434 R N 1.611 122.280 120.500 0.281 0.000 2.740 434 R HA 0.707 5.042 4.340 -0.008 0.000 0.282 434 R C -1.395 175.008 176.300 0.171 0.000 0.969 434 R CA -0.902 55.330 56.100 0.219 0.000 0.918 434 R CB 1.249 31.702 30.300 0.255 0.000 1.175 434 R HN 0.355 nan 8.270 nan 0.000 0.464 435 V N 3.549 123.529 119.914 0.109 0.000 2.398 435 V HA 0.384 4.499 4.120 -0.008 0.000 0.286 435 V C 0.008 176.130 176.094 0.048 0.000 1.026 435 V CA -0.739 61.597 62.300 0.060 0.000 0.868 435 V CB 1.612 33.438 31.823 0.004 0.000 0.982 435 V HN 0.472 nan 8.190 nan 0.000 0.443 436 L N 5.761 127.009 121.223 0.043 0.000 2.294 436 L HA 0.535 4.870 4.340 -0.008 0.000 0.283 436 L C 0.005 176.891 176.870 0.027 0.000 1.015 436 L CA -0.232 54.633 54.840 0.040 0.000 0.831 436 L CB 1.473 43.562 42.059 0.049 0.000 1.217 436 L HN 0.628 nan 8.230 nan 0.000 0.420 437 M N 5.320 124.935 119.600 0.025 0.000 2.188 437 M HA 0.331 4.806 4.480 -0.008 0.000 0.354 437 M C -1.190 175.141 176.300 0.052 0.000 1.342 437 M CA -0.250 55.065 55.300 0.025 0.000 1.117 437 M CB 0.630 33.238 32.600 0.013 0.000 1.670 437 M HN 0.500 nan 8.290 nan 0.000 0.466 438 L N 6.212 127.477 121.223 0.070 0.000 2.255 438 L HA 0.304 4.639 4.340 -0.008 0.000 0.289 438 L C 0.176 177.091 176.870 0.074 0.000 1.046 438 L CA -0.371 54.533 54.840 0.107 0.000 0.816 438 L CB 0.716 42.873 42.059 0.162 0.000 1.197 438 L HN 0.828 nan 8.230 nan 0.000 0.427 439 N N 1.666 120.401 118.700 0.058 0.000 2.129 439 N HA 0.171 4.906 4.740 -0.008 0.000 0.224 439 N C 1.306 176.818 175.510 0.004 0.000 1.039 439 N CA 0.560 53.626 53.050 0.027 0.000 1.101 439 N CB -0.160 38.339 38.487 0.020 0.000 1.401 439 N HN 0.649 nan 8.380 nan 0.000 0.582 440 G N 0.520 109.311 108.800 -0.015 0.000 3.078 440 G HA2 -0.076 3.879 3.960 -0.008 0.000 0.163 440 G HA3 -0.076 3.879 3.960 -0.008 0.000 0.163 440 G C 0.353 175.175 174.900 -0.131 0.000 1.894 440 G CA 0.137 45.199 45.100 -0.064 0.000 0.951 440 G HN 0.371 nan 8.290 nan 0.000 0.446 441 E N 0.540 120.639 120.200 -0.168 0.000 2.476 441 E HA 0.090 4.435 4.350 -0.008 0.000 0.191 441 E C 0.328 176.972 176.600 0.072 0.000 1.064 441 E CA -0.128 56.114 56.400 -0.263 0.000 0.866 441 E CB 0.382 29.933 29.700 -0.249 0.000 0.952 441 E HN 0.406 nan 8.360 nan 0.000 0.492 442 E N 1.972 122.209 120.200 0.062 0.000 2.200 442 E HA 0.172 4.517 4.350 -0.008 0.000 0.283 442 E C -0.500 176.171 176.600 0.119 0.000 1.015 442 E CA -0.462 55.992 56.400 0.091 0.000 0.819 442 E CB 1.289 31.017 29.700 0.046 0.000 1.081 442 E HN -0.032 nan 8.360 nan 0.000 0.397 443 V N 1.678 121.667 119.914 0.126 0.000 2.716 443 V HA 0.580 4.695 4.120 -0.008 0.000 0.304 443 V C -0.450 175.684 176.094 0.067 0.000 1.053 443 V CA -0.449 61.911 62.300 0.101 0.000 0.984 443 V CB 1.612 33.489 31.823 0.089 0.000 1.021 443 V HN 0.717 nan 8.190 nan 0.000 0.467 444 E N 2.092 122.325 120.200 0.054 0.000 2.313 444 E HA 0.226 4.571 4.350 -0.008 0.000 0.280 444 E C -1.334 175.287 176.600 0.035 0.000 0.898 444 E CA -0.379 56.045 56.400 0.040 0.000 0.803 444 E CB 2.180 31.899 29.700 0.033 0.000 1.286 444 E HN 0.952 nan 8.360 nan 0.000 0.401 445 E N 2.883 123.103 120.200 0.034 0.000 2.104 445 E HA 0.123 4.468 4.350 -0.008 0.000 0.278 445 E C -0.559 176.055 176.600 0.023 0.000 1.127 445 E CA 0.476 56.896 56.400 0.034 0.000 0.897 445 E CB 0.485 30.206 29.700 0.034 0.000 1.043 445 E HN 0.381 nan 8.360 nan 0.000 0.410 446 T N 2.626 117.190 114.554 0.017 0.000 2.644 446 T HA 0.483 4.828 4.350 -0.008 0.000 0.253 446 T C -0.480 174.223 174.700 0.005 0.000 0.910 446 T CA -0.909 61.195 62.100 0.007 0.000 1.066 446 T CB 0.949 69.814 68.868 -0.004 0.000 1.484 446 T HN 0.364 nan 8.240 nan 0.000 0.560 447 E N 0.128 120.323 120.200 -0.007 0.000 2.383 447 E HA 0.581 4.926 4.350 -0.008 0.000 0.275 447 E C -1.333 175.238 176.600 -0.049 0.000 0.918 447 E CA -0.823 55.569 56.400 -0.012 0.000 0.764 447 E CB 2.123 31.831 29.700 0.015 0.000 1.252 447 E HN 0.606 nan 8.360 nan 0.000 0.449 448 L N -0.622 120.539 121.223 -0.104 0.000 2.325 448 L HA 0.689 5.024 4.340 -0.008 0.000 0.278 448 L C -0.288 176.556 176.870 -0.044 0.000 1.023 448 L CA -1.160 53.596 54.840 -0.139 0.000 0.811 448 L CB 1.062 42.932 42.059 -0.316 0.000 1.249 448 L HN 0.503 nan 8.230 nan 0.000 0.431 449 M N 3.364 122.958 119.600 -0.010 0.000 2.239 449 M HA 0.428 4.903 4.480 -0.008 0.000 0.348 449 M C 1.043 177.406 176.300 0.104 0.000 1.239 449 M CA 1.706 57.031 55.300 0.043 0.000 1.114 449 M CB 0.539 33.156 32.600 0.027 0.000 1.641 449 M HN 1.014 nan 8.290 nan 0.000 0.453 450 G N 2.989 111.872 108.800 0.139 0.000 2.232 450 G HA2 -0.226 3.729 3.960 -0.008 0.000 0.226 450 G HA3 -0.226 3.729 3.960 -0.008 0.000 0.226 450 G C -0.212 174.842 174.900 0.256 0.000 0.996 450 G CA -0.414 44.792 45.100 0.177 0.000 0.626 450 G HN 0.571 nan 8.290 nan 0.000 0.509 451 F N 2.087 122.019 119.950 -0.030 0.000 2.410 451 F HA 0.586 5.108 4.527 -0.008 0.000 0.349 451 F C 1.015 176.792 175.800 -0.039 0.000 1.117 451 F CA -1.074 56.898 58.000 -0.047 0.000 1.104 451 F CB 1.574 40.541 39.000 -0.055 0.000 1.122 451 F HN 0.289 nan 8.300 nan 0.000 0.483 452 V N 0.458 120.382 119.914 0.016 0.000 2.785 452 V HA 0.499 4.614 4.120 -0.008 0.000 0.300 452 V C -0.407 175.697 176.094 0.016 0.000 1.062 452 V CA -0.744 61.558 62.300 0.003 0.000 1.029 452 V CB 1.521 33.314 31.823 -0.050 0.000 1.024 452 V HN 0.728 nan 8.190 nan 0.000 0.477 453 D N -0.472 119.943 120.400 0.026 0.000 2.945 453 D HA 0.248 4.883 4.640 -0.008 0.000 0.366 453 D C 0.049 176.361 176.300 0.019 0.000 1.352 453 D CA -0.366 53.654 54.000 0.033 0.000 0.810 453 D CB 0.390 41.230 40.800 0.067 0.000 1.170 453 D HN 0.470 nan 8.370 nan 0.000 0.461 454 D N 0.273 120.671 120.400 -0.004 0.000 2.149 454 D HA -0.052 4.583 4.640 -0.008 0.000 0.206 454 D C 1.206 177.503 176.300 -0.005 0.000 0.967 454 D CA 1.181 55.178 54.000 -0.005 0.000 0.848 454 D CB 0.335 41.125 40.800 -0.017 0.000 0.998 454 D HN 0.426 nan 8.370 nan 0.000 0.474 455 Q N 0.238 120.019 119.800 -0.032 0.000 2.873 455 Q HA 0.288 4.623 4.340 -0.008 0.000 0.297 455 Q C -0.339 175.620 176.000 -0.069 0.000 1.064 455 Q CA -0.785 54.992 55.803 -0.042 0.000 0.816 455 Q CB 0.986 29.681 28.738 -0.071 0.000 1.481 455 Q HN -0.026 nan 8.270 nan 0.000 0.488 456 Q N 0.213 119.957 119.800 -0.093 0.000 2.352 456 Q HA 0.252 4.587 4.340 -0.008 0.000 0.260 456 Q C -0.862 174.950 176.000 -0.312 0.000 0.976 456 Q CA 0.128 55.872 55.803 -0.099 0.000 0.881 456 Q CB 0.799 29.547 28.738 0.017 0.000 1.235 456 Q HN 0.585 nan 8.270 nan 0.000 0.419 457 T N 4.449 118.879 114.554 -0.206 0.000 2.845 457 T HA 0.223 4.568 4.350 -0.008 0.000 0.288 457 T C 0.006 174.639 174.700 -0.113 0.000 0.980 457 T CA -0.389 61.498 62.100 -0.354 0.000 1.071 457 T CB 0.343 68.904 68.868 -0.512 0.000 0.941 457 T HN 0.446 nan 8.240 nan 0.000 0.487 458 F N 1.551 121.450 119.950 -0.084 0.000 2.582 458 F HA 0.458 4.980 4.527 -0.008 0.000 0.290 458 F C 0.309 176.226 175.800 0.195 0.000 1.115 458 F CA -0.752 57.321 58.000 0.121 0.000 1.445 458 F CB 0.021 39.099 39.000 0.130 0.000 1.126 458 F HN 0.502 nan 8.300 nan 0.000 0.574 459 F N 0.312 120.125 119.950 -0.229 0.000 2.672 459 F HA 0.499 5.021 4.527 -0.008 0.000 0.311 459 F C -1.265 174.046 175.800 -0.814 0.000 1.113 459 F CA -1.703 55.995 58.000 -0.503 0.000 0.996 459 F CB 1.137 40.117 39.000 -0.032 0.000 1.286 459 F HN -0.027 nan 8.300 nan 0.000 0.441 460 C N 2.485 120.441 119.300 -2.241 0.000 3.170 460 C HA 1.088 5.543 4.460 -0.008 0.000 0.319 460 C C -0.415 173.790 174.990 -1.309 0.000 1.260 460 C CA -0.122 58.047 59.018 -1.415 0.000 1.374 460 C CB 1.216 28.559 27.740 -0.662 0.000 1.739 460 C HN 1.753 nan 8.230 nan 0.000 0.479 461 G N 1.602 110.070 108.800 -0.554 0.000 2.368 461 G HA2 0.425 4.380 3.960 -0.008 0.000 0.293 461 G HA3 0.425 4.380 3.960 -0.008 0.000 0.293 461 G C -1.787 173.160 174.900 0.078 0.000 1.467 461 G CA -0.794 44.211 45.100 -0.157 0.000 0.804 461 G HN 0.962 nan 8.290 nan 0.000 0.535 462 N N -0.901 117.876 118.700 0.129 0.000 2.441 462 N HA 0.406 5.141 4.740 -0.008 0.000 0.251 462 N C -0.250 175.351 175.510 0.152 0.000 1.242 462 N CA 0.214 53.345 53.050 0.135 0.000 0.898 462 N CB 1.890 40.461 38.487 0.139 0.000 1.100 462 N HN 0.393 nan 8.380 nan 0.000 0.443 463 V N 0.032 120.016 119.914 0.117 0.000 3.165 463 V HA 0.443 4.558 4.120 -0.008 0.000 0.309 463 V C 0.965 177.081 176.094 0.037 0.000 1.267 463 V CA -0.333 62.026 62.300 0.099 0.000 1.067 463 V CB 1.502 33.400 31.823 0.125 0.000 1.082 463 V HN 0.773 nan 8.190 nan 0.000 0.451 464 A N 0.558 123.368 122.820 -0.016 0.000 2.007 464 A HA -0.234 4.081 4.320 -0.008 0.000 0.214 464 A C 0.968 178.429 177.584 -0.205 0.000 1.302 464 A CA 2.275 54.206 52.037 -0.176 0.000 0.770 464 A CB -1.104 17.730 19.000 -0.276 0.000 0.831 464 A HN 0.964 nan 8.150 nan 0.000 0.491 465 H N 0.306 119.392 119.070 0.028 0.000 2.768 465 H HA 0.382 4.933 4.556 -0.008 0.000 0.219 465 H C -0.383 174.970 175.328 0.041 0.000 1.898 465 H CA 0.269 56.339 56.048 0.037 0.000 1.313 465 H CB -0.790 28.998 29.762 0.044 0.000 1.701 465 H HN 0.530 nan 8.280 nan 0.000 0.534 466 Q N 0.730 120.579 119.800 0.081 0.000 2.448 466 Q HA -0.276 4.059 4.340 -0.008 0.000 0.356 466 Q C -0.558 175.492 176.000 0.084 0.000 1.430 466 Q CA 0.652 56.498 55.803 0.071 0.000 1.011 466 Q CB -0.936 27.842 28.738 0.066 0.000 1.203 466 Q HN 0.729 nan 8.270 nan 0.000 0.351 467 Q N -0.198 119.654 119.800 0.087 0.000 2.501 467 Q HA 0.675 5.010 4.340 -0.008 0.000 0.288 467 Q C -1.359 174.705 176.000 0.107 0.000 1.051 467 Q CA -1.091 54.771 55.803 0.099 0.000 0.788 467 Q CB 1.507 30.314 28.738 0.116 0.000 1.469 467 Q HN 0.146 nan 8.270 nan 0.000 0.416 468 L N 1.385 122.686 121.223 0.131 0.000 2.334 468 L HA 0.607 4.942 4.340 -0.008 0.000 0.273 468 L C -0.707 176.277 176.870 0.190 0.000 1.013 468 L CA -0.340 54.608 54.840 0.180 0.000 0.816 468 L CB 1.606 43.802 42.059 0.228 0.000 1.278 468 L HN 0.609 nan 8.230 nan 0.000 0.431 469 I N 1.945 122.611 120.570 0.160 0.000 2.530 469 I HA 0.450 4.615 4.170 -0.008 0.000 0.297 469 I C -0.910 175.127 176.117 -0.132 0.000 1.011 469 I CA -0.383 60.955 61.300 0.063 0.000 1.107 469 I CB 1.707 39.792 38.000 0.142 0.000 1.285 469 I HN 0.687 nan 8.210 nan 0.000 0.436 470 Q N 8.105 127.691 119.800 -0.357 0.000 2.337 470 Q HA 0.427 4.761 4.340 -0.008 0.000 0.264 470 Q C -1.778 174.012 176.000 -0.350 0.000 1.007 470 Q CA -0.625 54.794 55.803 -0.639 0.000 0.727 470 Q CB 1.500 29.381 28.738 -1.428 0.000 1.256 470 Q HN 0.679 nan 8.270 nan 0.000 0.467 471 I N 3.556 124.006 120.570 -0.200 0.000 2.281 471 I HA 0.150 4.315 4.170 -0.008 0.000 0.293 471 I C 0.708 176.707 176.117 -0.198 0.000 1.085 471 I CA -0.109 61.141 61.300 -0.083 0.000 1.257 471 I CB 1.185 39.242 38.000 0.096 0.000 1.430 471 I HN 0.506 nan 8.210 nan 0.000 0.489 472 T N 2.760 117.162 114.554 -0.253 0.000 2.810 472 T HA 0.109 4.454 4.350 -0.008 0.000 0.277 472 T C 1.499 175.942 174.700 -0.429 0.000 0.973 472 T CA 0.071 61.944 62.100 -0.378 0.000 0.949 472 T CB 1.242 69.932 68.868 -0.297 0.000 1.075 472 T HN 0.696 nan 8.240 nan 0.000 0.537 473 S N 1.048 116.359 115.700 -0.649 0.000 2.368 473 S HA -0.026 4.439 4.470 -0.008 0.000 0.224 473 S C 2.356 176.903 174.600 -0.089 0.000 1.029 473 S CA 1.070 59.011 58.200 -0.432 0.000 0.988 473 S CB -0.997 61.992 63.200 -0.352 0.000 0.838 473 S HN 0.843 nan 8.310 nan 0.000 0.462 474 A N 1.523 124.278 122.820 -0.108 0.000 1.929 474 A HA 0.344 4.659 4.320 -0.008 0.000 0.216 474 A C 1.572 179.151 177.584 -0.008 0.000 1.176 474 A CA 1.121 53.132 52.037 -0.044 0.000 0.628 474 A CB -0.477 18.487 19.000 -0.060 0.000 0.816 474 A HN 1.000 nan 8.150 nan 0.000 0.444 475 S N -3.169 112.524 115.700 -0.011 0.000 2.790 475 S HA 0.581 5.046 4.470 -0.008 0.000 0.292 475 S C -1.298 173.346 174.600 0.073 0.000 1.197 475 S CA -0.341 57.892 58.200 0.055 0.000 0.851 475 S CB 1.219 64.419 63.200 -0.000 0.000 1.217 475 S HN 0.440 nan 8.310 nan 0.000 0.526 476 V N 1.507 121.505 119.914 0.140 0.000 2.376 476 V HA 0.545 4.660 4.120 -0.008 0.000 0.287 476 V C -0.472 175.644 176.094 0.037 0.000 1.015 476 V CA -0.521 61.826 62.300 0.077 0.000 0.834 476 V CB 1.033 32.917 31.823 0.103 0.000 1.001 476 V HN 0.776 nan 8.190 nan 0.000 0.428 477 R N 3.839 124.299 120.500 -0.067 0.000 2.346 477 R HA 0.645 4.980 4.340 -0.008 0.000 0.311 477 R C -1.018 175.249 176.300 -0.053 0.000 0.983 477 R CA -0.774 55.280 56.100 -0.076 0.000 0.880 477 R CB 1.896 32.099 30.300 -0.163 0.000 1.100 477 R HN 0.514 nan 8.270 nan 0.000 0.453 478 L N 4.243 125.475 121.223 0.015 0.000 2.294 478 L HA 0.384 4.719 4.340 -0.008 0.000 0.283 478 L C -1.077 175.840 176.870 0.079 0.000 1.015 478 L CA -0.525 54.347 54.840 0.054 0.000 0.831 478 L CB 1.637 43.737 42.059 0.068 0.000 1.217 478 L HN 0.320 nan 8.230 nan 0.000 0.420 479 V N 3.060 123.047 119.914 0.123 0.000 2.713 479 V HA 0.627 4.742 4.120 -0.008 0.000 0.307 479 V C 0.215 176.377 176.094 0.113 0.000 1.052 479 V CA -0.535 61.850 62.300 0.142 0.000 0.967 479 V CB 1.875 33.845 31.823 0.245 0.000 1.019 479 V HN 0.875 nan 8.190 nan 0.000 0.459 480 S N 2.889 118.641 115.700 0.087 0.000 2.480 480 S HA 0.333 4.798 4.470 -0.008 0.000 0.286 480 S C 0.490 175.124 174.600 0.057 0.000 1.180 480 S CA -0.724 57.519 58.200 0.070 0.000 1.075 480 S CB 1.761 64.995 63.200 0.057 0.000 0.996 480 S HN 0.629 nan 8.310 nan 0.000 0.487 481 Q N 1.381 121.213 119.800 0.054 0.000 1.948 481 Q HA -0.056 4.279 4.340 -0.008 0.000 0.205 481 Q C 0.208 176.224 176.000 0.026 0.000 0.992 481 Q CA 1.481 57.306 55.803 0.037 0.000 0.849 481 Q CB -0.356 28.407 28.738 0.041 0.000 0.918 481 Q HN 0.730 nan 8.270 nan 0.000 0.421 482 E N 1.195 121.413 120.200 0.029 0.000 2.383 482 E HA 0.123 4.468 4.350 -0.008 0.000 0.264 482 E C -2.202 174.412 176.600 0.024 0.000 1.050 482 E CA -1.784 54.630 56.400 0.024 0.000 0.896 482 E CB -0.329 29.386 29.700 0.024 0.000 0.982 482 E HN 0.042 nan 8.360 nan 0.000 0.424 483 P HA -0.219 nan 4.420 nan 0.000 0.105 483 P C -0.747 176.566 177.300 0.022 0.000 0.856 483 P CA 0.759 63.870 63.100 0.018 0.000 1.007 483 P CB -0.198 31.513 31.700 0.019 0.000 1.630 484 K N 1.572 121.982 120.400 0.016 0.000 2.367 484 K HA 0.277 4.592 4.320 -0.008 0.000 0.275 484 K C 0.698 177.318 176.600 0.034 0.000 1.125 484 K CA 0.737 57.036 56.287 0.021 0.000 1.133 484 K CB -0.091 32.408 32.500 -0.002 0.000 0.875 484 K HN 0.455 nan 8.250 nan 0.000 0.467 485 A N 3.272 126.122 122.820 0.049 0.000 2.574 485 A HA 0.377 4.692 4.320 -0.008 0.000 0.297 485 A C -1.181 176.441 177.584 0.064 0.000 1.062 485 A CA -0.944 51.123 52.037 0.050 0.000 0.686 485 A CB 1.099 20.121 19.000 0.036 0.000 1.285 485 A HN 0.512 nan 8.150 nan 0.000 0.403 486 L N 2.782 124.041 121.223 0.060 0.000 2.562 486 L HA 0.326 4.661 4.340 -0.008 0.000 0.271 486 L C 0.433 177.329 176.870 0.044 0.000 1.167 486 L CA 0.822 55.695 54.840 0.054 0.000 0.917 486 L CB 0.823 42.904 42.059 0.037 0.000 1.187 486 L HN 0.520 nan 8.230 nan 0.000 0.482 487 V N 3.293 123.237 119.914 0.050 0.000 3.379 487 V HA 0.315 4.430 4.120 -0.008 0.000 0.249 487 V C 0.595 176.715 176.094 0.043 0.000 1.184 487 V CA 0.942 63.269 62.300 0.046 0.000 1.106 487 V CB 0.668 32.523 31.823 0.053 0.000 0.826 487 V HN 0.880 nan 8.190 nan 0.000 0.465 488 S N -0.508 115.221 115.700 0.049 0.000 2.543 488 S HA 0.492 4.957 4.470 -0.008 0.000 0.274 488 S C -1.502 173.134 174.600 0.059 0.000 1.149 488 S CA -0.566 57.666 58.200 0.054 0.000 0.866 488 S CB 1.888 65.130 63.200 0.069 0.000 1.111 488 S HN 0.400 nan 8.310 nan 0.000 0.457 489 E N 2.394 122.629 120.200 0.060 0.000 2.260 489 E HA 0.371 4.716 4.350 -0.008 0.000 0.266 489 E C -1.873 174.788 176.600 0.101 0.000 0.887 489 E CA -0.557 55.882 56.400 0.065 0.000 0.777 489 E CB 1.062 30.770 29.700 0.013 0.000 1.205 489 E HN 0.621 nan 8.360 nan 0.000 0.414 490 W N 4.880 126.151 121.300 -0.049 0.000 2.469 490 W HA 0.436 5.091 4.660 -0.008 0.000 0.320 490 W C -0.812 175.655 176.519 -0.087 0.000 1.086 490 W CA -0.290 57.016 57.345 -0.064 0.000 1.211 490 W CB 0.959 30.384 29.460 -0.058 0.000 1.298 490 W HN 0.354 nan 8.180 nan 0.000 0.525 491 K N 3.051 123.019 120.400 -0.720 0.000 2.443 491 K HA 0.150 4.465 4.320 -0.008 0.000 0.251 491 K C -0.685 174.995 176.600 -1.534 0.000 0.972 491 K CA -1.171 54.695 56.287 -0.702 0.000 0.833 491 K CB 1.821 34.089 32.500 -0.387 0.000 1.317 491 K HN 0.296 nan 8.250 nan 0.000 0.441 492 E N 2.945 122.593 120.200 -0.920 0.000 2.328 492 E HA 0.012 4.357 4.350 -0.008 0.000 0.265 492 E C -1.910 174.372 176.600 -0.531 0.000 1.057 492 E CA -1.510 54.438 56.400 -0.752 0.000 0.916 492 E CB 0.787 30.379 29.700 -0.179 0.000 0.993 492 E HN 0.232 nan 8.360 nan 0.000 0.446 493 P HA -0.203 nan 4.420 nan 0.000 0.218 493 P C 0.340 177.526 177.300 -0.190 0.000 1.154 493 P CA 1.539 64.451 63.100 -0.313 0.000 0.872 493 P CB 0.185 31.774 31.700 -0.186 0.000 0.790 494 Q N -1.586 118.141 119.800 -0.123 0.000 2.247 494 Q HA 0.385 4.720 4.340 -0.008 0.000 0.234 494 Q C 0.498 176.453 176.000 -0.074 0.000 0.899 494 Q CA 0.140 55.898 55.803 -0.075 0.000 0.951 494 Q CB -0.330 28.389 28.738 -0.031 0.000 1.057 494 Q HN 0.121 nan 8.270 nan 0.000 0.444 495 A N 0.376 123.127 122.820 -0.115 0.000 2.826 495 A HA -0.272 4.043 4.320 -0.008 0.000 0.274 495 A C -0.115 177.436 177.584 -0.054 0.000 1.443 495 A CA 1.167 53.146 52.037 -0.096 0.000 0.833 495 A CB -1.513 17.442 19.000 -0.074 0.000 1.023 495 A HN 0.382 nan 8.150 nan 0.000 0.600 496 K N 0.233 120.611 120.400 -0.036 0.000 2.090 496 K HA 0.396 4.711 4.320 -0.008 0.000 0.250 496 K C 0.249 176.873 176.600 0.039 0.000 1.004 496 K CA -0.875 55.421 56.287 0.014 0.000 0.919 496 K CB 0.432 32.961 32.500 0.047 0.000 1.045 496 K HN 0.416 nan 8.250 nan 0.000 0.471 497 N N 1.459 120.200 118.700 0.068 0.000 2.530 497 N HA 0.135 4.870 4.740 -0.008 0.000 0.273 497 N C -0.186 175.427 175.510 0.172 0.000 1.173 497 N CA -0.104 53.009 53.050 0.104 0.000 0.967 497 N CB 0.614 39.164 38.487 0.106 0.000 1.109 497 N HN 0.352 nan 8.380 nan 0.000 0.453 498 I N 1.302 122.002 120.570 0.217 0.000 2.648 498 I HA -0.108 4.057 4.170 -0.008 0.000 0.284 498 I C 1.633 177.978 176.117 0.381 0.000 1.153 498 I CA 0.270 61.749 61.300 0.299 0.000 1.426 498 I CB 0.707 38.895 38.000 0.314 0.000 1.381 498 I HN 0.595 nan 8.210 nan 0.000 0.571 499 S N 4.245 120.119 115.700 0.290 0.000 2.506 499 S HA 0.274 4.739 4.470 -0.008 0.000 0.219 499 S C 0.252 174.884 174.600 0.053 0.000 1.031 499 S CA -0.263 58.061 58.200 0.207 0.000 0.911 499 S CB 0.458 63.749 63.200 0.153 0.000 0.812 499 S HN 0.363 nan 8.310 nan 0.000 0.497 500 V N 1.142 121.119 119.914 0.104 0.000 2.932 500 V HA 0.849 4.964 4.120 -0.008 0.000 0.307 500 V C -0.344 175.821 176.094 0.118 0.000 1.147 500 V CA -0.498 61.819 62.300 0.029 0.000 0.951 500 V CB 1.447 33.314 31.823 0.075 0.000 1.031 500 V HN 0.569 nan 8.190 nan 0.000 0.426 501 A N 2.704 125.589 122.820 0.108 0.000 2.387 501 A HA 1.097 5.412 4.320 -0.008 0.000 0.298 501 A C -0.291 177.324 177.584 0.051 0.000 1.165 501 A CA -0.071 52.045 52.037 0.133 0.000 0.814 501 A CB 2.131 21.277 19.000 0.243 0.000 1.357 501 A HN 1.888 nan 8.150 nan 0.000 0.443 502 S N -1.759 113.921 115.700 -0.034 0.000 2.586 502 S HA 0.571 5.036 4.470 -0.008 0.000 0.277 502 S C -1.238 173.192 174.600 -0.283 0.000 1.131 502 S CA -0.255 57.855 58.200 -0.150 0.000 0.848 502 S CB 0.798 63.956 63.200 -0.070 0.000 1.091 502 S HN 2.297 nan 8.310 nan 0.000 0.453 503 C N 3.518 122.531 119.300 -0.477 0.000 3.199 503 C HA 0.667 5.122 4.460 -0.008 0.000 0.392 503 C C -0.702 174.052 174.990 -0.393 0.000 1.050 503 C CA -0.119 58.589 59.018 -0.516 0.000 1.222 503 C CB 0.558 27.741 27.740 -0.930 0.000 1.595 503 C HN 1.146 nan 8.230 nan 0.000 0.560 504 N N 1.989 120.590 118.700 -0.166 0.000 3.040 504 N HA 0.278 5.013 4.740 -0.008 0.000 0.339 504 N C 1.070 176.587 175.510 0.012 0.000 1.387 504 N CA 0.271 53.288 53.050 -0.055 0.000 0.745 504 N CB 0.439 38.903 38.487 -0.039 0.000 1.237 504 N HN 0.691 nan 8.380 nan 0.000 0.565 505 S N -0.635 115.081 115.700 0.026 0.000 2.406 505 S HA -0.093 4.372 4.470 -0.008 0.000 0.228 505 S C 1.438 176.036 174.600 -0.002 0.000 1.020 505 S CA 1.482 59.702 58.200 0.033 0.000 0.965 505 S CB -0.575 62.634 63.200 0.016 0.000 0.798 505 S HN 0.708 nan 8.310 nan 0.000 0.488 506 S N -0.941 114.747 115.700 -0.021 0.000 2.787 506 S HA 0.389 4.854 4.470 -0.008 0.000 0.255 506 S C -0.014 174.571 174.600 -0.025 0.000 1.051 506 S CA -0.743 57.428 58.200 -0.048 0.000 1.124 506 S CB 0.116 63.269 63.200 -0.078 0.000 1.104 506 S HN 0.516 nan 8.310 nan 0.000 0.623 507 Q N 0.780 120.588 119.800 0.014 0.000 2.394 507 Q HA 0.776 5.111 4.340 -0.008 0.000 0.273 507 Q C -1.596 174.432 176.000 0.048 0.000 1.089 507 Q CA -0.846 55.017 55.803 0.100 0.000 0.812 507 Q CB 2.857 31.691 28.738 0.160 0.000 1.353 507 Q HN 0.161 nan 8.270 nan 0.000 0.438 508 V N 1.518 121.485 119.914 0.089 0.000 2.735 508 V HA 0.548 4.663 4.120 -0.008 0.000 0.310 508 V C -0.960 175.192 176.094 0.096 0.000 1.061 508 V CA -0.743 61.564 62.300 0.012 0.000 0.913 508 V CB 2.195 33.979 31.823 -0.066 0.000 1.005 508 V HN 0.545 nan 8.190 nan 0.000 0.428 509 V N 4.962 124.901 119.914 0.041 0.000 2.439 509 V HA 0.382 4.497 4.120 -0.008 0.000 0.277 509 V C -0.123 176.017 176.094 0.077 0.000 1.008 509 V CA -0.530 61.835 62.300 0.109 0.000 0.846 509 V CB 1.578 33.469 31.823 0.114 0.000 1.031 509 V HN 0.741 nan 8.190 nan 0.000 0.441 510 V N 1.665 121.617 119.914 0.063 0.000 3.262 510 V HA 1.041 5.156 4.120 -0.008 0.000 0.313 510 V C 0.247 176.452 176.094 0.186 0.000 1.070 510 V CA -0.539 61.819 62.300 0.097 0.000 1.049 510 V CB 1.801 33.642 31.823 0.031 0.000 1.157 510 V HN 1.076 nan 8.190 nan 0.000 0.454 511 A N 1.279 124.224 122.820 0.209 0.000 2.437 511 A HA 0.752 5.067 4.320 -0.008 0.000 0.293 511 A C -1.106 176.619 177.584 0.235 0.000 1.038 511 A CA -0.481 51.677 52.037 0.202 0.000 0.708 511 A CB 1.768 20.849 19.000 0.134 0.000 1.251 511 A HN 1.237 nan 8.150 nan 0.000 0.409 512 V N 3.149 123.222 119.914 0.265 0.000 2.378 512 V HA 0.622 4.737 4.120 -0.008 0.000 0.288 512 V C 1.309 177.485 176.094 0.137 0.000 1.016 512 V CA 0.695 63.135 62.300 0.234 0.000 0.840 512 V CB 0.318 32.334 31.823 0.321 0.000 0.994 512 V HN 2.148 nan 8.190 nan 0.000 0.431 513 G N 5.826 114.678 108.800 0.088 0.000 3.284 513 G HA2 -0.399 3.556 3.960 -0.008 0.000 0.351 513 G HA3 -0.399 3.556 3.960 -0.008 0.000 0.351 513 G C 1.098 176.012 174.900 0.023 0.000 1.232 513 G CA 1.463 46.575 45.100 0.020 0.000 1.001 513 G HN 0.614 nan 8.290 nan 0.000 0.639 514 R N 1.087 121.593 120.500 0.011 0.000 2.254 514 R HA 0.601 4.936 4.340 -0.008 0.000 0.193 514 R C 1.563 177.837 176.300 -0.044 0.000 0.929 514 R CA 0.687 56.782 56.100 -0.008 0.000 1.038 514 R CB 0.219 30.498 30.300 -0.035 0.000 1.009 514 R HN 0.719 nan 8.270 nan 0.000 0.512 515 A N 1.123 123.921 122.820 -0.035 0.000 2.407 515 A HA 0.394 4.709 4.320 -0.008 0.000 0.248 515 A C -0.553 176.922 177.584 -0.182 0.000 1.082 515 A CA 0.109 52.059 52.037 -0.145 0.000 0.785 515 A CB 0.333 19.277 19.000 -0.092 0.000 1.020 515 A HN 0.182 nan 8.150 nan 0.000 0.489 516 L N 1.593 122.565 121.223 -0.418 0.000 2.409 516 L HA 0.462 4.797 4.340 -0.008 0.000 0.272 516 L C -1.612 175.019 176.870 -0.398 0.000 0.980 516 L CA -0.448 54.193 54.840 -0.331 0.000 0.826 516 L CB 1.821 43.563 42.059 -0.528 0.000 1.268 516 L HN 0.771 nan 8.230 nan 0.000 0.407 517 Y N 2.148 122.510 120.300 0.103 0.000 2.364 517 Y HA 0.359 4.904 4.550 -0.008 0.000 0.340 517 Y C -0.559 175.473 175.900 0.221 0.000 0.975 517 Y CA -0.794 57.404 58.100 0.163 0.000 1.089 517 Y CB 1.550 40.011 38.460 0.003 0.000 1.192 517 Y HN 0.335 nan 8.280 nan 0.000 0.454 518 Y N 4.960 125.447 120.300 0.312 0.000 2.369 518 Y HA 0.654 5.199 4.550 -0.008 0.000 0.337 518 Y C -1.439 174.474 175.900 0.021 0.000 0.961 518 Y CA -1.809 56.362 58.100 0.119 0.000 1.186 518 Y CB 0.157 38.607 38.460 -0.016 0.000 1.139 518 Y HN 0.561 nan 8.280 nan 0.000 0.494 519 L N 5.029 126.141 121.223 -0.184 0.000 2.332 519 L HA 0.623 4.958 4.340 -0.008 0.000 0.269 519 L C -0.443 176.214 176.870 -0.356 0.000 1.016 519 L CA -1.155 53.484 54.840 -0.336 0.000 0.809 519 L CB 1.754 43.609 42.059 -0.340 0.000 1.280 519 L HN 0.462 nan 8.230 nan 0.000 0.447 520 Q N 1.138 120.788 119.800 -0.250 0.000 2.375 520 Q HA 0.562 4.897 4.340 -0.008 0.000 0.271 520 Q C -1.315 174.607 176.000 -0.129 0.000 1.074 520 Q CA -0.715 54.979 55.803 -0.181 0.000 0.808 520 Q CB 3.297 31.957 28.738 -0.131 0.000 1.327 520 Q HN 0.478 nan 8.270 nan 0.000 0.441 521 I N 3.197 123.646 120.570 -0.201 0.000 2.312 521 I HA 0.270 4.435 4.170 -0.008 0.000 0.291 521 I C -0.117 175.855 176.117 -0.242 0.000 1.031 521 I CA -0.210 61.022 61.300 -0.113 0.000 1.293 521 I CB 0.287 38.280 38.000 -0.011 0.000 1.403 521 I HN 0.372 nan 8.210 nan 0.000 0.484 522 H N 5.667 124.805 119.070 0.112 0.000 2.834 522 H HA 0.413 4.964 4.556 -0.008 0.000 0.369 522 H C -2.494 172.735 175.328 -0.165 0.000 1.174 522 H CA -2.254 53.745 56.048 -0.081 0.000 1.165 522 H CB 1.883 31.582 29.762 -0.105 0.000 1.820 522 H HN 0.197 nan 8.280 nan 0.000 0.558 523 P HA -0.026 nan 4.420 nan 0.000 0.260 523 P C -0.153 177.140 177.300 -0.013 0.000 1.185 523 P CA 0.686 63.713 63.100 -0.121 0.000 0.763 523 P CB 0.319 31.919 31.700 -0.166 0.000 0.776 524 Q N -0.625 119.195 119.800 0.033 0.000 2.332 524 Q HA -0.267 4.068 4.340 -0.008 0.000 0.222 524 Q C 0.005 176.035 176.000 0.051 0.000 0.758 524 Q CA 1.677 57.504 55.803 0.041 0.000 1.355 524 Q CB -1.860 26.892 28.738 0.024 0.000 1.705 524 Q HN 0.598 nan 8.270 nan 0.000 0.638 525 E N -0.033 120.210 120.200 0.072 0.000 2.244 525 E HA 0.327 4.672 4.350 -0.008 0.000 0.260 525 E C -1.241 175.434 176.600 0.125 0.000 0.884 525 E CA -0.748 55.706 56.400 0.091 0.000 0.777 525 E CB 0.826 30.573 29.700 0.077 0.000 1.197 525 E HN 0.039 nan 8.360 nan 0.000 0.416 526 L N 5.151 126.443 121.223 0.114 0.000 2.512 526 L HA 0.261 4.596 4.340 -0.008 0.000 0.247 526 L C 0.225 177.173 176.870 0.130 0.000 1.204 526 L CA 0.029 54.936 54.840 0.111 0.000 1.153 526 L CB -0.178 41.963 42.059 0.137 0.000 1.415 526 L HN 0.353 nan 8.230 nan 0.000 0.406 527 R N 1.992 122.568 120.500 0.127 0.000 2.345 527 R HA 0.098 4.433 4.340 -0.008 0.000 0.331 527 R C 0.193 176.518 176.300 0.041 0.000 1.067 527 R CA -0.072 56.092 56.100 0.106 0.000 0.962 527 R CB 0.196 30.571 30.300 0.126 0.000 0.987 527 R HN 0.519 nan 8.270 nan 0.000 0.451 528 Q N 5.056 124.922 119.800 0.111 0.000 2.297 528 Q HA 0.047 4.382 4.340 -0.008 0.000 0.267 528 Q C 0.446 176.485 176.000 0.066 0.000 1.006 528 Q CA 0.117 55.984 55.803 0.106 0.000 0.896 528 Q CB 0.753 29.715 28.738 0.374 0.000 1.186 528 Q HN 0.901 nan 8.270 nan 0.000 0.392 529 I N 0.416 120.947 120.570 -0.064 0.000 4.240 529 I HA 0.403 4.568 4.170 -0.008 0.000 0.331 529 I C -0.517 175.615 176.117 0.025 0.000 1.381 529 I CA -0.263 60.998 61.300 -0.066 0.000 1.136 529 I CB 1.207 39.086 38.000 -0.200 0.000 1.137 529 I HN 0.355 nan 8.210 nan 0.000 0.411 530 S N 0.677 116.457 115.700 0.134 0.000 2.556 530 S HA 0.547 5.012 4.470 -0.008 0.000 0.280 530 S C -1.666 173.119 174.600 0.308 0.000 1.141 530 S CA -0.505 57.803 58.200 0.180 0.000 0.883 530 S CB 0.794 64.200 63.200 0.344 0.000 1.103 530 S HN 0.631 nan 8.310 nan 0.000 0.453 531 H N -0.021 119.193 119.070 0.241 0.000 3.017 531 H HA 0.778 5.329 4.556 -0.008 0.000 0.340 531 H C -0.573 174.675 175.328 -0.133 0.000 1.014 531 H CA -0.717 55.328 56.048 -0.004 0.000 1.341 531 H CB 1.021 30.809 29.762 0.044 0.000 1.739 531 H HN 0.444 nan 8.280 nan 0.000 0.506 532 T N 1.229 115.601 114.554 -0.304 0.000 2.742 532 T HA 0.563 4.908 4.350 -0.008 0.000 0.282 532 T C -0.772 173.735 174.700 -0.322 0.000 1.025 532 T CA -0.921 60.983 62.100 -0.328 0.000 1.020 532 T CB 2.322 70.853 68.868 -0.562 0.000 1.317 532 T HN 0.626 nan 8.240 nan 0.000 0.538 533 E N 0.090 120.149 120.200 -0.235 0.000 2.317 533 E HA 0.587 4.932 4.350 -0.008 0.000 0.270 533 E C -1.124 175.376 176.600 -0.167 0.000 0.885 533 E CA -0.719 55.571 56.400 -0.183 0.000 0.760 533 E CB 1.118 30.749 29.700 -0.114 0.000 1.227 533 E HN 0.354 nan 8.360 nan 0.000 0.434 534 M N 1.993 121.514 119.600 -0.131 0.000 2.598 534 M HA 0.323 4.798 4.480 -0.008 0.000 0.317 534 M C 0.959 177.206 176.300 -0.088 0.000 1.201 534 M CA -0.241 55.004 55.300 -0.092 0.000 0.971 534 M CB 1.076 33.646 32.600 -0.050 0.000 1.657 534 M HN 0.654 nan 8.290 nan 0.000 0.470 535 E N 0.402 120.552 120.200 -0.084 0.000 2.049 535 E HA -0.172 4.173 4.350 -0.008 0.000 0.198 535 E C 0.242 176.631 176.600 -0.352 0.000 1.007 535 E CA 1.461 57.756 56.400 -0.174 0.000 0.809 535 E CB 0.189 29.831 29.700 -0.096 0.000 0.749 535 E HN 0.460 nan 8.360 nan 0.000 0.450 536 H N -0.834 118.252 119.070 0.025 0.000 3.196 536 H HA 0.263 4.814 4.556 -0.008 0.000 0.303 536 H C -0.030 175.342 175.328 0.073 0.000 1.605 536 H CA -0.714 55.363 56.048 0.049 0.000 1.351 536 H CB 0.685 30.502 29.762 0.092 0.000 1.860 536 H HN -0.045 nan 8.280 nan 0.000 0.697 537 E N 1.059 121.424 120.200 0.274 0.000 2.418 537 E HA 0.103 4.448 4.350 -0.008 0.000 0.261 537 E C -0.376 176.455 176.600 0.384 0.000 1.070 537 E CA -0.138 56.392 56.400 0.216 0.000 0.931 537 E CB 1.123 30.797 29.700 -0.044 0.000 0.954 537 E HN 0.114 nan 8.360 nan 0.000 0.439 538 V N 2.542 122.651 119.914 0.325 0.000 2.432 538 V HA 0.088 4.203 4.120 -0.008 0.000 0.271 538 V C 0.980 177.319 176.094 0.407 0.000 1.046 538 V CA 0.337 62.807 62.300 0.283 0.000 0.945 538 V CB 0.834 32.756 31.823 0.166 0.000 0.992 538 V HN 0.840 nan 8.190 nan 0.000 0.471 539 A N 4.395 127.326 122.820 0.184 0.000 1.878 539 A HA 0.201 4.516 4.320 -0.008 0.000 0.213 539 A C 0.981 178.522 177.584 -0.071 0.000 1.192 539 A CA 1.247 53.203 52.037 -0.136 0.000 0.619 539 A CB -0.035 18.771 19.000 -0.324 0.000 0.837 539 A HN 1.029 nan 8.150 nan 0.000 0.446 540 C N -3.447 115.848 119.300 -0.009 0.000 3.312 540 C HA 0.781 5.236 4.460 -0.008 0.000 0.332 540 C C -1.041 173.967 174.990 0.031 0.000 1.340 540 C CA -1.336 57.684 59.018 0.005 0.000 1.265 540 C CB 0.452 28.183 27.740 -0.015 0.000 1.563 540 C HN 0.379 nan 8.230 nan 0.000 0.471 541 L N 0.810 122.053 121.223 0.033 0.000 2.376 541 L HA 0.832 5.167 4.340 -0.008 0.000 0.258 541 L C -1.292 175.590 176.870 0.021 0.000 1.013 541 L CA 0.008 54.868 54.840 0.034 0.000 0.822 541 L CB 2.228 44.313 42.059 0.042 0.000 1.388 541 L HN 0.970 nan 8.230 nan 0.000 0.413 542 D N 0.719 121.125 120.400 0.009 0.000 2.927 542 D HA 0.517 5.152 4.640 -0.008 0.000 0.219 542 D C -0.713 175.566 176.300 -0.035 0.000 1.248 542 D CA -0.426 53.568 54.000 -0.009 0.000 0.861 542 D CB 1.710 42.515 40.800 0.008 0.000 1.677 542 D HN 0.458 nan 8.370 nan 0.000 0.511 543 I N 0.140 120.673 120.570 -0.060 0.000 3.241 543 I HA 0.338 4.503 4.170 -0.008 0.000 0.333 543 I C -0.274 175.796 176.117 -0.077 0.000 1.534 543 I CA -0.602 60.647 61.300 -0.086 0.000 0.979 543 I CB 0.921 38.851 38.000 -0.116 0.000 1.497 543 I HN 0.086 nan 8.210 nan 0.000 0.530 544 T N 4.620 119.142 114.554 -0.053 0.000 2.829 544 T HA 0.179 4.524 4.350 -0.008 0.000 0.293 544 T C -2.300 172.372 174.700 -0.046 0.000 0.970 544 T CA -0.340 61.737 62.100 -0.038 0.000 1.168 544 T CB 0.102 68.957 68.868 -0.020 0.000 0.911 544 T HN 0.186 nan 8.240 nan 0.000 0.535 545 P HA 0.246 nan 4.420 nan 0.000 0.271 545 P C -0.876 176.402 177.300 -0.037 0.000 1.216 545 P CA -0.546 62.526 63.100 -0.046 0.000 0.771 545 P CB 0.431 32.113 31.700 -0.030 0.000 0.864 546 L N 3.358 124.541 121.223 -0.066 0.000 2.313 546 L HA 0.546 4.881 4.340 -0.008 0.000 0.283 546 L C 1.298 178.143 176.870 -0.042 0.000 1.013 546 L CA 0.670 55.474 54.840 -0.061 0.000 0.816 546 L CB 0.478 42.428 42.059 -0.181 0.000 1.236 546 L HN 0.753 nan 8.230 nan 0.000 0.419 547 G N 3.220 112.067 108.800 0.077 0.000 2.634 547 G HA2 -0.365 3.590 3.960 -0.008 0.000 0.318 547 G HA3 -0.365 3.590 3.960 -0.008 0.000 0.318 547 G C 0.549 175.477 174.900 0.046 0.000 1.207 547 G CA 0.466 45.634 45.100 0.113 0.000 0.987 547 G HN 0.592 nan 8.290 nan 0.000 0.547 548 D N 1.554 121.975 120.400 0.034 0.000 2.358 548 D HA 0.267 4.902 4.640 -0.008 0.000 0.241 548 D C 1.070 177.368 176.300 -0.003 0.000 1.094 548 D CA 0.961 54.972 54.000 0.017 0.000 0.907 548 D CB -0.024 40.787 40.800 0.018 0.000 0.893 548 D HN 0.335 nan 8.370 nan 0.000 0.528 549 S N 0.431 116.122 115.700 -0.015 0.000 2.505 549 S HA 0.085 4.550 4.470 -0.008 0.000 0.276 549 S C 0.716 175.309 174.600 -0.012 0.000 1.274 549 S CA -0.553 57.632 58.200 -0.025 0.000 1.053 549 S CB 0.238 63.411 63.200 -0.045 0.000 0.919 549 S HN 0.117 nan 8.310 nan 0.000 0.490 550 N N 3.607 122.301 118.700 -0.010 0.000 3.115 550 N HA 0.059 4.794 4.740 -0.008 0.000 0.305 550 N C 1.158 176.663 175.510 -0.010 0.000 1.305 550 N CA 0.293 53.340 53.050 -0.005 0.000 1.154 550 N CB -0.181 38.306 38.487 0.000 0.000 1.454 550 N HN 0.974 nan 8.380 nan 0.000 0.551 551 G N 0.752 109.546 108.800 -0.011 0.000 2.180 551 G HA2 -0.288 3.667 3.960 -0.008 0.000 0.263 551 G HA3 -0.288 3.667 3.960 -0.008 0.000 0.263 551 G C -0.041 174.847 174.900 -0.020 0.000 0.989 551 G CA 0.206 45.298 45.100 -0.013 0.000 0.692 551 G HN 0.420 nan 8.290 nan 0.000 0.526 552 L N 1.380 122.590 121.223 -0.022 0.000 2.353 552 L HA 0.712 5.047 4.340 -0.008 0.000 0.270 552 L C 0.408 177.248 176.870 -0.050 0.000 1.003 552 L CA -0.327 54.499 54.840 -0.023 0.000 0.862 552 L CB 1.673 43.729 42.059 -0.004 0.000 1.221 552 L HN 0.165 nan 8.230 nan 0.000 0.430 553 S N 5.459 121.113 115.700 -0.077 0.000 2.499 553 S HA 0.409 4.874 4.470 -0.008 0.000 0.275 553 S C -1.664 172.850 174.600 -0.144 0.000 1.257 553 S CA -1.056 57.079 58.200 -0.109 0.000 1.050 553 S CB 0.936 64.064 63.200 -0.120 0.000 0.937 553 S HN 0.542 nan 8.310 nan 0.000 0.490 554 P HA 0.147 nan 4.420 nan 0.000 0.229 554 P C -0.548 176.651 177.300 -0.168 0.000 1.160 554 P CA 0.418 63.437 63.100 -0.136 0.000 0.777 554 P CB 0.183 31.820 31.700 -0.106 0.000 0.814 555 L N -1.559 119.564 121.223 -0.167 0.000 2.279 555 L HA 0.531 4.866 4.340 -0.008 0.000 0.262 555 L C -0.494 176.271 176.870 -0.174 0.000 1.019 555 L CA -1.041 53.704 54.840 -0.158 0.000 0.823 555 L CB 1.787 43.775 42.059 -0.119 0.000 1.358 555 L HN -0.161 nan 8.230 nan 0.000 0.432 556 C N 1.231 120.447 119.300 -0.141 0.000 2.516 556 C HA 0.898 5.353 4.460 -0.008 0.000 0.338 556 C C -0.361 174.608 174.990 -0.035 0.000 1.132 556 C CA -0.565 58.389 59.018 -0.106 0.000 1.310 556 C CB 0.158 27.814 27.740 -0.139 0.000 1.898 556 C HN 0.964 nan 8.230 nan 0.000 0.452 557 A N 6.042 128.850 122.820 -0.020 0.000 2.301 557 A HA 0.854 5.169 4.320 -0.008 0.000 0.312 557 A C -0.709 176.891 177.584 0.026 0.000 1.182 557 A CA -0.482 51.559 52.037 0.005 0.000 0.826 557 A CB 0.617 19.624 19.000 0.012 0.000 1.134 557 A HN 1.433 nan 8.150 nan 0.000 0.501 558 I N 1.262 121.852 120.570 0.033 0.000 2.775 558 I HA 0.658 4.823 4.170 -0.008 0.000 0.295 558 I C -0.048 176.089 176.117 0.033 0.000 1.287 558 I CA -0.505 60.819 61.300 0.041 0.000 1.029 558 I CB 2.117 40.151 38.000 0.057 0.000 1.282 558 I HN 0.757 nan 8.210 nan 0.000 0.426 559 G N 7.050 115.867 108.800 0.028 0.000 2.388 559 G HA2 0.659 4.614 3.960 -0.008 0.000 0.330 559 G HA3 0.659 4.614 3.960 -0.008 0.000 0.330 559 G C -1.324 173.594 174.900 0.029 0.000 1.142 559 G CA -0.592 44.516 45.100 0.012 0.000 0.908 559 G HN 0.542 nan 8.290 nan 0.000 0.473 560 L N 1.095 122.340 121.223 0.038 0.000 2.330 560 L HA 0.389 4.724 4.340 -0.008 0.000 0.271 560 L C 0.811 177.749 176.870 0.114 0.000 1.013 560 L CA -1.161 53.745 54.840 0.110 0.000 0.816 560 L CB 2.404 44.538 42.059 0.125 0.000 1.287 560 L HN 0.673 nan 8.230 nan 0.000 0.435 561 W N 1.153 122.472 121.300 0.032 0.000 2.474 561 W HA -0.098 4.557 4.660 -0.008 0.000 0.319 561 W C 1.806 178.275 176.519 -0.082 0.000 1.165 561 W CA 1.764 59.107 57.345 -0.004 0.000 1.356 561 W CB -0.006 29.466 29.460 0.020 0.000 1.172 561 W HN 0.550 nan 8.180 nan 0.000 0.478 562 T N 0.278 114.890 114.554 0.095 0.000 2.976 562 T HA -0.161 4.184 4.350 -0.008 0.000 0.257 562 T C 0.970 175.515 174.700 -0.257 0.000 1.051 562 T CA 1.582 63.560 62.100 -0.203 0.000 1.141 562 T CB -0.448 68.088 68.868 -0.553 0.000 0.881 562 T HN 0.180 nan 8.240 nan 0.000 0.461 563 D N 1.554 121.810 120.400 -0.240 0.000 2.317 563 D HA 0.001 4.636 4.640 -0.008 0.000 0.211 563 D C 0.458 176.742 176.300 -0.028 0.000 0.966 563 D CA -0.067 53.895 54.000 -0.063 0.000 0.876 563 D CB -0.953 39.902 40.800 0.090 0.000 0.927 563 D HN 0.433 nan 8.370 nan 0.000 0.519 564 I N 0.619 121.174 120.570 -0.025 0.000 7.356 564 I HA -0.247 3.918 4.170 -0.008 0.000 0.126 564 I C -0.676 175.418 176.117 -0.039 0.000 1.829 564 I CA 0.618 61.896 61.300 -0.036 0.000 2.068 564 I CB -1.809 36.167 38.000 -0.040 0.000 3.620 564 I HN 0.347 nan 8.210 nan 0.000 0.179 565 S N 2.502 118.188 115.700 -0.024 0.000 2.549 565 S HA 0.932 5.397 4.470 -0.008 0.000 0.280 565 S C -0.410 174.173 174.600 -0.027 0.000 1.109 565 S CA -0.292 57.886 58.200 -0.037 0.000 0.905 565 S CB 2.550 65.737 63.200 -0.022 0.000 1.081 565 S HN 0.967 nan 8.310 nan 0.000 0.477 566 A N 2.974 125.766 122.820 -0.047 0.000 2.293 566 A HA 0.727 5.042 4.320 -0.008 0.000 0.312 566 A C 0.132 177.687 177.584 -0.049 0.000 1.309 566 A CA -1.003 51.017 52.037 -0.027 0.000 0.839 566 A CB 0.349 19.352 19.000 0.005 0.000 1.155 566 A HN 0.896 nan 8.150 nan 0.000 0.501 567 R N 2.345 122.836 120.500 -0.015 0.000 2.711 567 R HA 0.738 5.073 4.340 -0.008 0.000 0.284 567 R C -1.101 175.202 176.300 0.005 0.000 0.968 567 R CA -0.845 55.253 56.100 -0.003 0.000 0.924 567 R CB 1.223 31.525 30.300 0.004 0.000 1.162 567 R HN 0.341 nan 8.270 nan 0.000 0.465 568 I N 3.884 124.460 120.570 0.009 0.000 2.331 568 I HA 0.299 4.464 4.170 -0.008 0.000 0.292 568 I C 0.021 176.145 176.117 0.012 0.000 0.998 568 I CA -0.899 60.398 61.300 -0.005 0.000 1.267 568 I CB 1.005 38.984 38.000 -0.036 0.000 1.386 568 I HN 0.545 nan 8.210 nan 0.000 0.476 569 L N 5.187 126.416 121.223 0.010 0.000 2.329 569 L HA 0.432 4.767 4.340 -0.008 0.000 0.279 569 L C 0.198 177.036 176.870 -0.054 0.000 1.014 569 L CA -1.173 53.682 54.840 0.025 0.000 0.814 569 L CB 1.437 43.579 42.059 0.137 0.000 1.257 569 L HN 0.425 nan 8.230 nan 0.000 0.424 570 K N 2.249 122.612 120.400 -0.061 0.000 2.402 570 K HA 0.086 4.401 4.320 -0.008 0.000 0.285 570 K C 0.669 177.131 176.600 -0.230 0.000 1.054 570 K CA 0.187 56.404 56.287 -0.116 0.000 1.001 570 K CB 0.452 32.906 32.500 -0.077 0.000 0.946 570 K HN 0.591 nan 8.250 nan 0.000 0.473 571 L N 6.483 127.517 121.223 -0.315 0.000 1.961 571 L HA -0.077 4.258 4.340 -0.008 0.000 0.210 571 L C -0.870 175.628 176.870 -0.621 0.000 1.072 571 L CA 1.439 55.936 54.840 -0.572 0.000 0.749 571 L CB -0.946 40.766 42.059 -0.579 0.000 0.889 571 L HN 0.682 nan 8.230 nan 0.000 0.432 572 P HA -0.227 nan 4.420 nan 0.000 0.222 572 P C 1.555 178.760 177.300 -0.158 0.000 1.159 572 P CA 2.698 65.699 63.100 -0.164 0.000 0.920 572 P CB -0.054 31.599 31.700 -0.078 0.000 0.793 573 S N -4.167 111.435 115.700 -0.162 0.000 2.497 573 S HA 0.173 4.638 4.470 -0.008 0.000 0.218 573 S C 0.893 175.522 174.600 0.048 0.000 1.023 573 S CA -0.078 58.092 58.200 -0.050 0.000 0.913 573 S CB -0.738 62.455 63.200 -0.012 0.000 0.800 573 S HN 0.133 nan 8.310 nan 0.000 0.505 574 F N 0.574 120.492 119.950 -0.054 0.000 2.628 574 F HA -0.147 4.375 4.527 -0.008 0.000 0.319 574 F C 0.307 176.078 175.800 -0.047 0.000 0.645 574 F CA 0.254 58.219 58.000 -0.057 0.000 1.499 574 F CB -1.626 37.345 39.000 -0.048 0.000 1.900 574 F HN 0.250 nan 8.300 nan 0.000 0.308 575 E N 2.257 122.505 120.200 0.081 0.000 2.463 575 E HA 0.142 4.487 4.350 -0.008 0.000 0.248 575 E C 0.121 176.741 176.600 0.034 0.000 1.106 575 E CA -0.220 56.205 56.400 0.042 0.000 0.946 575 E CB 0.289 29.993 29.700 0.007 0.000 0.971 575 E HN 0.251 nan 8.360 nan 0.000 0.478 576 L N 6.411 127.657 121.223 0.038 0.000 2.774 576 L HA -0.016 4.319 4.340 -0.008 0.000 0.279 576 L C 0.024 176.902 176.870 0.013 0.000 1.137 576 L CA 0.849 55.705 54.840 0.026 0.000 1.021 576 L CB -0.160 41.907 42.059 0.013 0.000 1.366 576 L HN 0.800 nan 8.230 nan 0.000 0.471 577 L N 4.028 125.264 121.223 0.021 0.000 2.554 577 L HA 0.133 4.468 4.340 -0.008 0.000 0.226 577 L C -0.034 176.890 176.870 0.089 0.000 1.137 577 L CA 0.093 54.950 54.840 0.029 0.000 0.863 577 L CB -0.440 41.625 42.059 0.010 0.000 0.985 577 L HN 0.810 nan 8.230 nan 0.000 0.451 578 H N -0.614 118.422 119.070 -0.058 0.000 3.091 578 H HA 0.162 4.713 4.556 -0.008 0.000 0.298 578 H C -0.874 174.398 175.328 -0.093 0.000 1.313 578 H CA -0.720 55.280 56.048 -0.080 0.000 1.638 578 H CB 0.769 30.471 29.762 -0.101 0.000 2.329 578 H HN -0.045 nan 8.280 nan 0.000 0.409 579 K N 3.539 123.806 120.400 -0.221 0.000 2.118 579 K HA 0.507 4.822 4.320 -0.008 0.000 0.254 579 K C -0.903 175.585 176.600 -0.187 0.000 0.961 579 K CA -0.627 55.576 56.287 -0.139 0.000 0.876 579 K CB 1.391 33.819 32.500 -0.121 0.000 1.077 579 K HN 0.464 nan 8.250 nan 0.000 0.440 580 E N 3.655 123.786 120.200 -0.115 0.000 2.294 580 E HA 0.185 4.530 4.350 -0.008 0.000 0.272 580 E C -0.989 175.532 176.600 -0.131 0.000 0.896 580 E CA -0.651 55.662 56.400 -0.146 0.000 0.802 580 E CB 1.493 31.040 29.700 -0.255 0.000 1.267 580 E HN 0.634 nan 8.360 nan 0.000 0.406 581 M N 4.085 123.617 119.600 -0.113 0.000 2.200 581 M HA 0.233 4.708 4.480 -0.008 0.000 0.355 581 M C 1.148 177.353 176.300 -0.158 0.000 1.283 581 M CA 0.128 55.366 55.300 -0.103 0.000 1.124 581 M CB 0.554 33.112 32.600 -0.071 0.000 1.625 581 M HN 0.565 nan 8.290 nan 0.000 0.463 582 L N 1.327 122.437 121.223 -0.189 0.000 2.546 582 L HA 0.501 4.836 4.340 -0.008 0.000 0.185 582 L C 1.213 177.946 176.870 -0.228 0.000 1.247 582 L CA 0.275 54.887 54.840 -0.379 0.000 0.848 582 L CB -0.096 41.757 42.059 -0.344 0.000 1.133 582 L HN 0.802 nan 8.230 nan 0.000 0.504 583 G N -1.503 107.258 108.800 -0.065 0.000 2.749 583 G HA2 0.525 4.480 3.960 -0.008 0.000 0.300 583 G HA3 0.525 4.480 3.960 -0.008 0.000 0.300 583 G C -1.416 173.494 174.900 0.017 0.000 1.352 583 G CA -0.061 45.061 45.100 0.037 0.000 0.789 583 G HN 0.254 nan 8.290 nan 0.000 0.509 584 G N -1.821 106.996 108.800 0.029 0.000 2.412 584 G HA2 0.528 4.483 3.960 -0.008 0.000 0.318 584 G HA3 0.528 4.483 3.960 -0.008 0.000 0.318 584 G C 0.318 175.227 174.900 0.014 0.000 1.146 584 G CA 0.747 45.855 45.100 0.014 0.000 0.882 584 G HN 0.901 nan 8.290 nan 0.000 0.501 585 E N -0.952 119.252 120.200 0.007 0.000 4.609 585 E HA -0.308 4.037 4.350 -0.008 0.000 0.178 585 E C 0.456 177.060 176.600 0.006 0.000 1.274 585 E CA 1.918 58.324 56.400 0.011 0.000 2.344 585 E CB -1.139 28.570 29.700 0.015 0.000 1.833 585 E HN 0.514 nan 8.360 nan 0.000 0.404 586 I N 2.353 122.925 120.570 0.004 0.000 2.517 586 I HA 0.057 4.222 4.170 -0.008 0.000 0.285 586 I C 0.205 176.292 176.117 -0.051 0.000 1.106 586 I CA 0.240 61.533 61.300 -0.011 0.000 1.402 586 I CB 0.156 38.158 38.000 0.004 0.000 1.399 586 I HN 0.075 nan 8.210 nan 0.000 0.535 587 I N 9.195 129.696 120.570 -0.114 0.000 2.533 587 I HA 0.167 4.332 4.170 -0.008 0.000 0.284 587 I C -2.003 173.974 176.117 -0.233 0.000 1.109 587 I CA -1.482 59.659 61.300 -0.265 0.000 1.412 587 I CB -0.555 37.132 38.000 -0.521 0.000 1.396 587 I HN 0.369 nan 8.210 nan 0.000 0.543 588 P HA 0.097 nan 4.420 nan 0.000 0.265 588 P C 0.329 177.521 177.300 -0.179 0.000 1.193 588 P CA -0.126 62.901 63.100 -0.123 0.000 0.765 588 P CB 0.676 32.327 31.700 -0.081 0.000 0.823 589 R N 0.533 120.974 120.500 -0.099 0.000 2.369 589 R HA 0.244 4.579 4.340 -0.008 0.000 0.210 589 R C 0.024 176.298 176.300 -0.043 0.000 0.881 589 R CA 0.420 56.460 56.100 -0.100 0.000 1.031 589 R CB 0.671 30.923 30.300 -0.080 0.000 1.184 589 R HN 0.439 nan 8.270 nan 0.000 0.581 590 S N 0.210 115.906 115.700 -0.007 0.000 2.566 590 S HA 0.506 4.971 4.470 -0.008 0.000 0.273 590 S C -1.567 173.064 174.600 0.051 0.000 1.157 590 S CA -0.606 57.609 58.200 0.025 0.000 0.938 590 S CB 1.317 64.536 63.200 0.033 0.000 1.087 590 S HN 0.197 nan 8.310 nan 0.000 0.474 591 I N 5.867 126.470 120.570 0.056 0.000 2.582 591 I HA 0.784 4.949 4.170 -0.008 0.000 0.292 591 I C -1.634 174.525 176.117 0.071 0.000 1.066 591 I CA -1.093 60.254 61.300 0.078 0.000 1.053 591 I CB 1.493 39.534 38.000 0.069 0.000 1.241 591 I HN 0.794 nan 8.210 nan 0.000 0.421 592 L N 6.318 127.593 121.223 0.087 0.000 2.505 592 L HA 0.606 4.941 4.340 -0.008 0.000 0.259 592 L C -1.756 175.158 176.870 0.074 0.000 0.952 592 L CA -0.723 54.154 54.840 0.062 0.000 0.840 592 L CB 2.226 44.310 42.059 0.042 0.000 1.358 592 L HN 0.611 nan 8.230 nan 0.000 0.409 593 M N 2.901 122.528 119.600 0.045 0.000 2.274 593 M HA 0.631 5.106 4.480 -0.008 0.000 0.344 593 M C -0.084 176.217 176.300 0.003 0.000 1.161 593 M CA -0.208 55.119 55.300 0.046 0.000 1.126 593 M CB 1.657 34.267 32.600 0.016 0.000 1.522 593 M HN 0.801 nan 8.290 nan 0.000 0.461 594 T N 0.209 114.761 114.554 -0.002 0.000 2.827 594 T HA 0.343 4.688 4.350 -0.008 0.000 0.328 594 T C -1.473 173.158 174.700 -0.115 0.000 1.598 594 T CA -0.680 61.340 62.100 -0.133 0.000 1.043 594 T CB 1.643 70.304 68.868 -0.345 0.000 1.447 594 T HN 0.681 nan 8.240 nan 0.000 0.491 595 T N 3.340 117.798 114.554 -0.161 0.000 2.756 595 T HA 0.590 4.935 4.350 -0.008 0.000 0.290 595 T C -0.836 173.738 174.700 -0.210 0.000 0.985 595 T CA -0.210 61.853 62.100 -0.062 0.000 0.955 595 T CB -0.097 68.809 68.868 0.063 0.000 0.930 595 T HN 0.383 nan 8.240 nan 0.000 0.451 596 F N 1.932 121.965 119.950 0.139 0.000 2.388 596 F HA 0.336 4.858 4.527 -0.008 0.000 0.358 596 F C 1.131 176.996 175.800 0.109 0.000 1.122 596 F CA -0.919 57.133 58.000 0.086 0.000 1.056 596 F CB 1.098 40.095 39.000 -0.004 0.000 1.155 596 F HN 0.668 nan 8.300 nan 0.000 0.461 597 E N 2.877 123.235 120.200 0.264 0.000 2.228 597 E HA -0.323 4.022 4.350 -0.008 0.000 0.213 597 E C 0.567 177.266 176.600 0.164 0.000 1.282 597 E CA 0.609 57.122 56.400 0.188 0.000 0.707 597 E CB -0.760 29.044 29.700 0.175 0.000 1.150 597 E HN 0.945 nan 8.360 nan 0.000 0.362 598 S N -3.158 112.581 115.700 0.064 0.000 3.257 598 S HA -0.295 4.170 4.470 -0.008 0.000 0.300 598 S C 0.159 174.611 174.600 -0.246 0.000 1.275 598 S CA 1.224 59.387 58.200 -0.063 0.000 1.023 598 S CB -1.819 61.384 63.200 0.004 0.000 1.180 598 S HN 0.473 nan 8.310 nan 0.000 0.660 599 S N 2.147 117.757 115.700 -0.150 0.000 2.509 599 S HA 0.632 5.097 4.470 -0.008 0.000 0.297 599 S C -0.282 174.167 174.600 -0.252 0.000 1.118 599 S CA -0.813 57.250 58.200 -0.227 0.000 1.074 599 S CB 0.699 63.905 63.200 0.009 0.000 1.038 599 S HN 0.458 nan 8.310 nan 0.000 0.498 600 H N 1.360 120.417 119.070 -0.022 0.000 2.457 600 H HA 0.465 5.016 4.556 -0.008 0.000 0.335 600 H C -1.197 174.076 175.328 -0.093 0.000 1.115 600 H CA -0.137 55.911 56.048 0.001 0.000 1.219 600 H CB 0.791 30.537 29.762 -0.026 0.000 1.471 600 H HN 0.567 nan 8.280 nan 0.000 0.491 601 Y N 0.942 121.339 120.300 0.161 0.000 2.570 601 Y HA 0.268 4.813 4.550 -0.008 0.000 0.345 601 Y C -0.245 175.754 175.900 0.166 0.000 1.014 601 Y CA -0.997 57.217 58.100 0.190 0.000 1.063 601 Y CB 2.228 40.831 38.460 0.238 0.000 1.272 601 Y HN 0.354 nan 8.280 nan 0.000 0.477 602 L N 4.797 126.276 121.223 0.427 0.000 2.377 602 L HA 0.521 4.856 4.340 -0.008 0.000 0.270 602 L C -1.651 175.496 176.870 0.462 0.000 0.991 602 L CA -0.409 54.649 54.840 0.363 0.000 0.851 602 L CB 0.415 42.658 42.059 0.306 0.000 1.218 602 L HN 0.611 nan 8.230 nan 0.000 0.420 603 L N 4.366 125.786 121.223 0.329 0.000 2.379 603 L HA 0.601 4.936 4.340 -0.008 0.000 0.269 603 L C -0.214 176.822 176.870 0.276 0.000 1.084 603 L CA -0.580 54.443 54.840 0.306 0.000 0.802 603 L CB 1.844 44.024 42.059 0.201 0.000 1.175 603 L HN 0.651 nan 8.230 nan 0.000 0.448 604 C N 2.294 121.768 119.300 0.289 0.000 2.817 604 C HA 0.750 5.205 4.460 -0.008 0.000 0.385 604 C C -0.270 174.867 174.990 0.245 0.000 1.050 604 C CA -0.362 58.813 59.018 0.262 0.000 1.245 604 C CB 0.421 28.363 27.740 0.336 0.000 1.706 604 C HN 0.944 nan 8.230 nan 0.000 0.488 605 A N 6.272 129.182 122.820 0.149 0.000 2.337 605 A HA 0.913 5.228 4.320 -0.008 0.000 0.329 605 A C -0.940 176.684 177.584 0.067 0.000 1.146 605 A CA -0.466 51.630 52.037 0.099 0.000 0.800 605 A CB 0.796 19.825 19.000 0.048 0.000 1.220 605 A HN 0.909 nan 8.150 nan 0.000 0.472 606 L N 1.190 122.447 121.223 0.057 0.000 2.331 606 L HA 0.574 4.909 4.340 -0.008 0.000 0.268 606 L C 1.675 178.535 176.870 -0.017 0.000 1.015 606 L CA -0.623 54.233 54.840 0.026 0.000 0.807 606 L CB 1.240 43.344 42.059 0.075 0.000 1.293 606 L HN 0.826 nan 8.230 nan 0.000 0.451 607 G N -0.480 108.298 108.800 -0.038 0.000 2.625 607 G HA2 -0.176 3.779 3.960 -0.008 0.000 0.214 607 G HA3 -0.176 3.779 3.960 -0.008 0.000 0.214 607 G C 0.707 175.589 174.900 -0.029 0.000 1.132 607 G CA 0.632 45.707 45.100 -0.042 0.000 0.782 607 G HN 0.849 nan 8.290 nan 0.000 0.538 608 D N -1.076 119.310 120.400 -0.024 0.000 2.369 608 D HA 0.176 4.811 4.640 -0.008 0.000 0.211 608 D C 1.497 177.772 176.300 -0.042 0.000 1.077 608 D CA 0.376 54.360 54.000 -0.027 0.000 0.842 608 D CB -0.376 40.413 40.800 -0.019 0.000 0.947 608 D HN 0.379 nan 8.370 nan 0.000 0.509 609 G N 0.134 108.907 108.800 -0.046 0.000 2.149 609 G HA2 -0.044 3.911 3.960 -0.008 0.000 0.235 609 G HA3 -0.044 3.911 3.960 -0.008 0.000 0.235 609 G C 0.246 175.091 174.900 -0.091 0.000 1.018 609 G CA -0.017 45.046 45.100 -0.062 0.000 0.728 609 G HN 0.789 nan 8.290 nan 0.000 0.508 610 A N -0.252 122.511 122.820 -0.096 0.000 2.274 610 A HA 0.817 5.132 4.320 -0.008 0.000 0.309 610 A C -0.163 177.302 177.584 -0.200 0.000 1.226 610 A CA -0.425 51.499 52.037 -0.189 0.000 0.853 610 A CB 1.266 20.142 19.000 -0.207 0.000 1.146 610 A HN 1.524 nan 8.150 nan 0.000 0.518 611 L N 3.302 124.372 121.223 -0.255 0.000 2.313 611 L HA 0.786 5.121 4.340 -0.008 0.000 0.283 611 L C -1.284 175.435 176.870 -0.252 0.000 1.013 611 L CA -0.203 54.563 54.840 -0.123 0.000 0.816 611 L CB 0.541 42.596 42.059 -0.007 0.000 1.236 611 L HN 0.576 nan 8.230 nan 0.000 0.419 612 F N 4.745 124.695 119.950 -0.001 0.000 2.440 612 F HA 0.681 5.203 4.527 -0.008 0.000 0.328 612 F C -0.537 175.174 175.800 -0.148 0.000 1.070 612 F CA -0.133 57.751 58.000 -0.193 0.000 1.011 612 F CB 1.440 40.307 39.000 -0.222 0.000 1.226 612 F HN 0.507 nan 8.300 nan 0.000 0.491 613 Y N -0.643 119.429 120.300 -0.379 0.000 2.558 613 Y HA 0.738 5.283 4.550 -0.008 0.000 0.333 613 Y C -2.168 173.436 175.900 -0.494 0.000 1.125 613 Y CA -2.271 55.650 58.100 -0.299 0.000 1.039 613 Y CB 0.873 39.363 38.460 0.051 0.000 1.331 613 Y HN 0.390 nan 8.280 nan 0.000 0.456 614 F N 0.529 120.710 119.950 0.386 0.000 2.603 614 F HA 0.790 5.312 4.527 -0.008 0.000 0.317 614 F C 0.556 176.443 175.800 0.145 0.000 1.066 614 F CA -1.641 56.477 58.000 0.197 0.000 0.941 614 F CB 2.204 41.245 39.000 0.068 0.000 1.291 614 F HN 0.874 nan 8.300 nan 0.000 0.472 615 G N 1.874 110.762 108.800 0.146 0.000 2.448 615 G HA2 0.443 4.398 3.960 -0.008 0.000 0.309 615 G HA3 0.443 4.398 3.960 -0.008 0.000 0.309 615 G C -1.211 173.652 174.900 -0.062 0.000 1.027 615 G CA -0.266 44.741 45.100 -0.156 0.000 1.104 615 G HN 0.536 nan 8.290 nan 0.000 0.428 616 L N 2.765 123.962 121.223 -0.044 0.000 2.290 616 L HA 0.374 4.709 4.340 -0.008 0.000 0.284 616 L C 0.107 176.956 176.870 -0.035 0.000 1.078 616 L CA -0.820 53.997 54.840 -0.040 0.000 0.815 616 L CB 1.060 43.121 42.059 0.003 0.000 1.162 616 L HN 0.426 nan 8.230 nan 0.000 0.435 617 N N 4.712 123.372 118.700 -0.066 0.000 2.430 617 N HA 0.117 4.852 4.740 -0.008 0.000 0.265 617 N C 1.218 176.682 175.510 -0.077 0.000 1.100 617 N CA -0.429 52.593 53.050 -0.046 0.000 0.961 617 N CB 0.661 39.120 38.487 -0.047 0.000 1.075 617 N HN 0.640 nan 8.380 nan 0.000 0.478 618 I N 0.381 120.887 120.570 -0.105 0.000 2.361 618 I HA -0.122 4.043 4.170 -0.008 0.000 0.251 618 I C 0.946 176.997 176.117 -0.109 0.000 1.133 618 I CA 1.424 62.622 61.300 -0.170 0.000 1.413 618 I CB -0.876 36.945 38.000 -0.298 0.000 1.073 618 I HN 0.424 nan 8.210 nan 0.000 0.424 619 E N 2.027 122.183 120.200 -0.073 0.000 2.005 619 E HA -0.116 4.229 4.350 -0.008 0.000 0.191 619 E C 2.279 178.850 176.600 -0.047 0.000 0.987 619 E CA 2.628 58.996 56.400 -0.053 0.000 0.814 619 E CB -0.561 29.119 29.700 -0.033 0.000 0.772 619 E HN 0.699 nan 8.360 nan 0.000 0.453 620 T N -2.754 111.776 114.554 -0.040 0.000 3.129 620 T HA 0.206 4.551 4.350 -0.008 0.000 0.251 620 T C 1.391 176.072 174.700 -0.033 0.000 1.117 620 T CA 0.423 62.507 62.100 -0.027 0.000 1.034 620 T CB -0.033 68.828 68.868 -0.013 0.000 0.968 620 T HN 0.329 nan 8.240 nan 0.000 0.526 621 G N 1.530 110.293 108.800 -0.062 0.000 2.249 621 G HA2 -0.197 3.757 3.960 -0.008 0.000 0.273 621 G HA3 -0.197 3.757 3.960 -0.008 0.000 0.273 621 G C -0.107 174.703 174.900 -0.149 0.000 1.036 621 G CA 0.174 45.223 45.100 -0.085 0.000 0.824 621 G HN 0.633 nan 8.290 nan 0.000 0.504 622 L N 0.611 121.739 121.223 -0.159 0.000 2.265 622 L HA 0.592 4.927 4.340 -0.008 0.000 0.288 622 L C 0.493 177.138 176.870 -0.375 0.000 1.058 622 L CA -0.353 54.341 54.840 -0.243 0.000 0.809 622 L CB 0.806 42.821 42.059 -0.074 0.000 1.179 622 L HN 0.164 nan 8.230 nan 0.000 0.429 623 L N 5.090 125.842 121.223 -0.787 0.000 2.312 623 L HA 0.452 4.787 4.340 -0.008 0.000 0.281 623 L C 0.284 177.058 176.870 -0.159 0.000 1.070 623 L CA -0.241 54.309 54.840 -0.483 0.000 0.805 623 L CB 1.641 43.225 42.059 -0.791 0.000 1.174 623 L HN 0.730 nan 8.230 nan 0.000 0.434 624 S N 0.256 115.980 115.700 0.041 0.000 2.588 624 S HA 0.472 4.937 4.470 -0.008 0.000 0.275 624 S C -0.903 173.801 174.600 0.174 0.000 1.130 624 S CA -0.864 57.396 58.200 0.101 0.000 0.855 624 S CB 2.166 65.389 63.200 0.039 0.000 1.116 624 S HN 0.711 nan 8.310 nan 0.000 0.472 625 D N 0.450 120.934 120.400 0.140 0.000 2.778 625 D HA -0.139 4.496 4.640 -0.008 0.000 0.246 625 D C -0.096 176.237 176.300 0.054 0.000 1.107 625 D CA 0.654 54.710 54.000 0.094 0.000 0.732 625 D CB -0.669 40.177 40.800 0.076 0.000 1.055 625 D HN 0.751 nan 8.370 nan 0.000 0.429 626 R N 1.102 121.678 120.500 0.127 0.000 2.543 626 R HA 0.062 4.397 4.340 -0.008 0.000 0.348 626 R C 0.153 176.350 176.300 -0.171 0.000 0.981 626 R CA 0.359 56.448 56.100 -0.018 0.000 1.019 626 R CB 0.374 30.827 30.300 0.254 0.000 0.944 626 R HN -0.002 nan 8.270 nan 0.000 0.425 627 K N 3.046 123.159 120.400 -0.478 0.000 2.164 627 K HA 0.275 4.590 4.320 -0.008 0.000 0.258 627 K C -1.163 175.089 176.600 -0.580 0.000 0.951 627 K CA -0.714 55.257 56.287 -0.527 0.000 0.844 627 K CB 1.300 33.374 32.500 -0.710 0.000 1.099 627 K HN 0.365 nan 8.250 nan 0.000 0.435 628 K N 3.223 123.392 120.400 -0.385 0.000 2.397 628 K HA 0.463 4.778 4.320 -0.008 0.000 0.253 628 K C -1.646 174.734 176.600 -0.366 0.000 0.932 628 K CA -0.788 55.209 56.287 -0.484 0.000 0.795 628 K CB 1.648 33.802 32.500 -0.576 0.000 1.159 628 K HN 0.396 nan 8.250 nan 0.000 0.424 629 V N 2.462 122.155 119.914 -0.370 0.000 2.656 629 V HA 0.376 4.491 4.120 -0.008 0.000 0.307 629 V C -0.241 175.654 176.094 -0.332 0.000 1.051 629 V CA -0.899 61.190 62.300 -0.352 0.000 0.893 629 V CB 1.893 33.425 31.823 -0.484 0.000 0.999 629 V HN 0.952 nan 8.190 nan 0.000 0.426 630 T N 2.587 116.974 114.554 -0.279 0.000 2.837 630 T HA 0.792 5.137 4.350 -0.008 0.000 0.285 630 T C -0.656 173.920 174.700 -0.208 0.000 0.984 630 T CA -0.583 61.386 62.100 -0.218 0.000 1.049 630 T CB 1.119 69.888 68.868 -0.166 0.000 0.947 630 T HN 0.684 nan 8.240 nan 0.000 0.472 631 L N -0.172 120.950 121.223 -0.167 0.000 2.534 631 L HA 0.773 5.108 4.340 -0.008 0.000 0.259 631 L C 0.168 176.976 176.870 -0.102 0.000 1.108 631 L CA -0.444 54.310 54.840 -0.144 0.000 0.905 631 L CB 0.475 42.436 42.059 -0.163 0.000 1.138 631 L HN 1.249 nan 8.230 nan 0.000 0.475 632 G N 0.378 109.128 108.800 -0.084 0.000 2.764 632 G HA2 -0.168 3.787 3.960 -0.008 0.000 0.686 632 G HA3 -0.168 3.787 3.960 -0.008 0.000 0.686 632 G C 0.235 175.101 174.900 -0.056 0.000 1.258 632 G CA -0.161 44.902 45.100 -0.061 0.000 0.846 632 G HN 0.653 nan 8.290 nan 0.000 0.596 633 T N 2.122 116.651 114.554 -0.042 0.000 3.148 633 T HA 0.125 4.470 4.350 -0.008 0.000 0.253 633 T C 0.994 175.673 174.700 -0.036 0.000 1.134 633 T CA 0.942 63.020 62.100 -0.037 0.000 1.051 633 T CB 0.046 68.898 68.868 -0.026 0.000 0.959 633 T HN 0.559 nan 8.240 nan 0.000 0.525 634 Q N 1.841 121.616 119.800 -0.042 0.000 2.259 634 Q HA 0.311 4.646 4.340 -0.008 0.000 0.249 634 Q C -2.639 173.331 176.000 -0.051 0.000 0.914 634 Q CA -3.278 52.498 55.803 -0.046 0.000 0.904 634 Q CB 0.385 29.091 28.738 -0.054 0.000 1.213 634 Q HN 0.071 nan 8.270 nan 0.000 0.428 635 P HA -0.028 nan 4.420 nan 0.000 0.258 635 P C -0.671 176.592 177.300 -0.062 0.000 1.187 635 P CA 0.423 63.492 63.100 -0.052 0.000 0.767 635 P CB 0.193 31.863 31.700 -0.051 0.000 0.770 636 T N 3.851 118.376 114.554 -0.048 0.000 2.737 636 T HA 0.193 4.538 4.350 -0.008 0.000 0.296 636 T C 0.431 175.114 174.700 -0.029 0.000 0.922 636 T CA -0.200 61.873 62.100 -0.044 0.000 1.079 636 T CB 0.134 68.980 68.868 -0.036 0.000 0.892 636 T HN 0.008 nan 8.240 nan 0.000 0.514 637 V N 5.995 125.883 119.914 -0.043 0.000 2.465 637 V HA 0.361 4.476 4.120 -0.008 0.000 0.279 637 V C 0.377 176.489 176.094 0.029 0.000 1.045 637 V CA -0.702 61.591 62.300 -0.011 0.000 0.938 637 V CB 0.926 32.715 31.823 -0.056 0.000 0.986 637 V HN 0.702 nan 8.190 nan 0.000 0.467 638 L N 5.487 126.737 121.223 0.046 0.000 2.344 638 L HA 0.773 5.108 4.340 -0.008 0.000 0.272 638 L C 0.245 177.147 176.870 0.053 0.000 1.035 638 L CA -0.633 54.236 54.840 0.048 0.000 0.807 638 L CB 1.422 43.508 42.059 0.045 0.000 1.237 638 L HN 0.575 nan 8.230 nan 0.000 0.442 639 R N -0.089 120.431 120.500 0.033 0.000 2.756 639 R HA 0.512 4.847 4.340 -0.008 0.000 0.273 639 R C -1.530 174.742 176.300 -0.046 0.000 1.030 639 R CA -0.678 55.433 56.100 0.018 0.000 0.887 639 R CB 2.321 32.634 30.300 0.023 0.000 1.274 639 R HN 0.550 nan 8.270 nan 0.000 0.461 640 T N 1.186 115.725 114.554 -0.025 0.000 2.861 640 T HA 0.656 5.001 4.350 -0.008 0.000 0.287 640 T C -0.600 174.161 174.700 0.102 0.000 1.003 640 T CA -0.334 61.752 62.100 -0.023 0.000 0.977 640 T CB 0.962 69.854 68.868 0.040 0.000 0.996 640 T HN 0.238 nan 8.240 nan 0.000 0.448 641 F N 0.927 120.950 119.950 0.121 0.000 2.525 641 F HA 0.666 5.188 4.527 -0.008 0.000 0.346 641 F C 0.820 176.676 175.800 0.093 0.000 1.072 641 F CA -1.551 56.515 58.000 0.110 0.000 1.033 641 F CB 1.568 40.642 39.000 0.123 0.000 1.324 641 F HN 0.090 nan 8.300 nan 0.000 0.491 642 R N 0.259 120.953 120.500 0.324 0.000 2.439 642 R HA 0.263 4.598 4.340 -0.008 0.000 0.310 642 R C 0.264 176.651 176.300 0.145 0.000 0.955 642 R CA -0.202 56.019 56.100 0.202 0.000 0.853 642 R CB 1.914 32.289 30.300 0.125 0.000 1.171 642 R HN 0.751 nan 8.270 nan 0.000 0.449 643 S N 3.280 119.067 115.700 0.144 0.000 2.341 643 S HA 0.038 4.503 4.470 -0.008 0.000 0.204 643 S C 1.179 175.786 174.600 0.011 0.000 1.038 643 S CA 0.836 59.067 58.200 0.051 0.000 1.013 643 S CB 0.028 63.256 63.200 0.047 0.000 0.994 643 S HN 0.525 nan 8.310 nan 0.000 0.430 644 L N 0.110 121.341 121.223 0.014 0.000 2.814 644 L HA 0.282 4.617 4.340 -0.008 0.000 0.183 644 L C 2.680 179.562 176.870 0.020 0.000 1.362 644 L CA 0.698 55.540 54.840 0.004 0.000 1.674 644 L CB -0.871 41.182 42.059 -0.011 0.000 1.673 644 L HN 0.484 nan 8.230 nan 0.000 0.869 645 S N -1.165 114.548 115.700 0.022 0.000 2.456 645 S HA -0.008 4.457 4.470 -0.008 0.000 0.224 645 S C 1.073 175.705 174.600 0.053 0.000 1.035 645 S CA 0.259 58.480 58.200 0.034 0.000 0.940 645 S CB -0.922 62.294 63.200 0.026 0.000 0.799 645 S HN 0.549 nan 8.310 nan 0.000 0.508 646 T N 2.613 117.200 114.554 0.055 0.000 2.946 646 T HA 0.361 4.706 4.350 -0.008 0.000 0.311 646 T C 0.174 174.948 174.700 0.124 0.000 1.063 646 T CA 0.093 62.244 62.100 0.085 0.000 1.139 646 T CB 0.436 69.344 68.868 0.066 0.000 0.994 646 T HN 0.494 nan 8.240 nan 0.000 0.547 647 T N 0.964 115.612 114.554 0.158 0.000 2.779 647 T HA 0.535 4.880 4.350 -0.008 0.000 0.280 647 T C -0.462 174.399 174.700 0.269 0.000 0.987 647 T CA -1.084 61.124 62.100 0.181 0.000 0.966 647 T CB 0.536 69.463 68.868 0.099 0.000 0.933 647 T HN 0.780 nan 8.240 nan 0.000 0.442 648 N N 1.226 120.110 118.700 0.307 0.000 2.525 648 N HA 0.719 5.454 4.740 -0.008 0.000 0.288 648 N C -1.329 174.205 175.510 0.040 0.000 1.242 648 N CA -1.197 52.041 53.050 0.314 0.000 0.905 648 N CB 1.861 40.570 38.487 0.371 0.000 1.258 648 N HN 0.410 nan 8.380 nan 0.000 0.551 649 V N 1.281 121.179 119.914 -0.027 0.000 2.487 649 V HA 0.312 4.427 4.120 -0.008 0.000 0.298 649 V C -1.134 174.768 176.094 -0.319 0.000 1.028 649 V CA -0.645 61.554 62.300 -0.169 0.000 0.860 649 V CB 0.987 32.816 31.823 0.010 0.000 0.991 649 V HN 0.523 nan 8.190 nan 0.000 0.427 650 F N 4.061 123.659 119.950 -0.587 0.000 2.420 650 F HA 0.629 5.151 4.527 -0.008 0.000 0.352 650 F C 0.672 176.372 175.800 -0.166 0.000 1.108 650 F CA -0.345 57.421 58.000 -0.389 0.000 1.162 650 F CB 1.033 39.800 39.000 -0.388 0.000 1.118 650 F HN 0.547 nan 8.300 nan 0.000 0.510 651 A N 6.111 128.778 122.820 -0.255 0.000 2.736 651 A HA 0.348 4.663 4.320 -0.008 0.000 0.335 651 A C -0.574 176.992 177.584 -0.030 0.000 1.446 651 A CA -0.514 51.464 52.037 -0.099 0.000 1.028 651 A CB -0.863 18.063 19.000 -0.123 0.000 1.154 651 A HN 0.829 nan 8.150 nan 0.000 0.507 652 C N 3.174 122.562 119.300 0.146 0.000 2.573 652 C HA 0.488 4.943 4.460 -0.008 0.000 0.369 652 C C 1.323 176.303 174.990 -0.016 0.000 1.205 652 C CA 0.309 59.410 59.018 0.138 0.000 1.535 652 C CB -2.324 25.458 27.740 0.070 0.000 2.159 652 C HN 0.894 nan 8.230 nan 0.000 0.558 653 S N 1.539 117.227 115.700 -0.020 0.000 2.840 653 S HA 0.442 4.907 4.470 -0.008 0.000 0.307 653 S C 0.708 175.285 174.600 -0.038 0.000 1.180 653 S CA -0.129 58.039 58.200 -0.053 0.000 0.846 653 S CB 0.858 64.023 63.200 -0.059 0.000 1.233 653 S HN 0.559 nan 8.310 nan 0.000 0.548 654 D N 0.280 120.656 120.400 -0.041 0.000 2.221 654 D HA -0.172 4.463 4.640 -0.008 0.000 0.204 654 D C 0.771 177.057 176.300 -0.023 0.000 0.982 654 D CA 1.012 54.995 54.000 -0.027 0.000 0.857 654 D CB -0.227 40.558 40.800 -0.025 0.000 0.934 654 D HN 0.544 nan 8.370 nan 0.000 0.475 655 R N 0.882 121.360 120.500 -0.037 0.000 2.505 655 R HA 0.316 4.651 4.340 -0.008 0.000 0.284 655 R C -2.791 173.467 176.300 -0.070 0.000 1.324 655 R CA -1.868 54.205 56.100 -0.045 0.000 1.432 655 R CB 1.042 31.311 30.300 -0.051 0.000 1.107 655 R HN -0.016 nan 8.270 nan 0.000 0.587 656 P HA 0.146 nan 4.420 nan 0.000 0.271 656 P C -1.063 176.086 177.300 -0.251 0.000 1.216 656 P CA 0.136 63.149 63.100 -0.145 0.000 0.776 656 P CB 1.330 33.008 31.700 -0.037 0.000 0.881 657 T N 1.205 115.520 114.554 -0.399 0.000 2.916 657 T HA 0.412 4.757 4.350 -0.008 0.000 0.305 657 T C -1.100 173.330 174.700 -0.449 0.000 1.119 657 T CA -0.568 61.348 62.100 -0.306 0.000 1.008 657 T CB 1.639 70.432 68.868 -0.126 0.000 1.129 657 T HN 0.227 nan 8.240 nan 0.000 0.480 658 V N 4.162 123.910 119.914 -0.278 0.000 2.384 658 V HA 0.684 4.799 4.120 -0.008 0.000 0.287 658 V C -1.019 174.995 176.094 -0.132 0.000 1.020 658 V CA -0.834 61.353 62.300 -0.188 0.000 0.850 658 V CB 0.387 32.255 31.823 0.076 0.000 0.987 658 V HN 0.811 nan 8.190 nan 0.000 0.436 659 I N 8.812 129.250 120.570 -0.221 0.000 2.392 659 I HA 0.622 4.787 4.170 -0.008 0.000 0.295 659 I C -0.478 175.403 176.117 -0.393 0.000 0.985 659 I CA -0.572 60.426 61.300 -0.504 0.000 1.221 659 I CB 1.397 39.024 38.000 -0.621 0.000 1.366 659 I HN 0.827 nan 8.210 nan 0.000 0.467 660 Y N 2.845 122.751 120.300 -0.656 0.000 2.655 660 Y HA 0.724 5.269 4.550 -0.008 0.000 0.336 660 Y C -0.661 174.750 175.900 -0.816 0.000 1.154 660 Y CA -1.337 56.382 58.100 -0.634 0.000 1.055 660 Y CB 1.165 39.480 38.460 -0.242 0.000 1.295 660 Y HN 0.462 nan 8.280 nan 0.000 0.465 661 S N 0.132 115.563 115.700 -0.449 0.000 2.593 661 S HA 0.614 5.079 4.470 -0.008 0.000 0.297 661 S C 0.255 174.863 174.600 0.014 0.000 1.112 661 S CA 0.129 58.128 58.200 -0.334 0.000 1.043 661 S CB 1.351 64.389 63.200 -0.269 0.000 1.054 661 S HN 1.213 nan 8.310 nan 0.000 0.516 662 S N 2.982 118.661 115.700 -0.034 0.000 2.748 662 S HA 0.095 4.560 4.470 -0.008 0.000 0.241 662 S C 1.275 175.842 174.600 -0.055 0.000 1.064 662 S CA 0.365 58.581 58.200 0.026 0.000 0.892 662 S CB -0.619 62.616 63.200 0.058 0.000 0.810 662 S HN 0.802 nan 8.310 nan 0.000 0.555 663 N N 0.829 119.476 118.700 -0.089 0.000 2.530 663 N HA 0.105 4.840 4.740 -0.008 0.000 0.216 663 N C 0.733 175.995 175.510 -0.413 0.000 1.031 663 N CA 1.077 54.016 53.050 -0.184 0.000 1.063 663 N CB -0.443 38.007 38.487 -0.061 0.000 1.346 663 N HN 0.470 nan 8.380 nan 0.000 0.515 664 H N -1.585 117.514 119.070 0.048 0.000 3.780 664 H HA 0.320 4.871 4.556 -0.008 0.000 0.266 664 H C -0.724 174.656 175.328 0.087 0.000 1.144 664 H CA -0.343 55.753 56.048 0.081 0.000 1.176 664 H CB 1.244 31.059 29.762 0.089 0.000 1.690 664 H HN 0.269 nan 8.280 nan 0.000 0.835 665 K N 2.098 122.557 120.400 0.099 0.000 2.156 665 K HA 0.417 4.732 4.320 -0.008 0.000 0.254 665 K C -0.286 176.204 176.600 -0.184 0.000 0.950 665 K CA -0.653 55.650 56.287 0.026 0.000 0.849 665 K CB 1.708 34.233 32.500 0.041 0.000 1.100 665 K HN 0.139 nan 8.250 nan 0.000 0.434 666 L N 0.810 121.825 121.223 -0.347 0.000 2.325 666 L HA 0.636 4.971 4.340 -0.008 0.000 0.279 666 L C -0.611 175.771 176.870 -0.813 0.000 1.054 666 L CA -1.100 53.285 54.840 -0.759 0.000 0.804 666 L CB 1.438 42.785 42.059 -1.186 0.000 1.200 666 L HN 0.141 nan 8.230 nan 0.000 0.436 667 V N 2.473 121.733 119.914 -1.091 0.000 2.555 667 V HA 0.436 4.551 4.120 -0.008 0.000 0.302 667 V C -0.672 174.731 176.094 -1.152 0.000 1.038 667 V CA -0.173 61.551 62.300 -0.959 0.000 0.887 667 V CB 1.762 32.983 31.823 -1.002 0.000 0.991 667 V HN 0.541 nan 8.190 nan 0.000 0.434 668 F N 1.910 121.585 119.950 -0.458 0.000 2.307 668 F HA 0.404 4.926 4.527 -0.008 0.000 0.369 668 F C 0.875 176.545 175.800 -0.216 0.000 1.076 668 F CA -0.269 57.531 58.000 -0.332 0.000 1.149 668 F CB 1.279 40.127 39.000 -0.253 0.000 1.410 668 F HN 0.341 nan 8.300 nan 0.000 0.481 669 S N 2.832 118.502 115.700 -0.050 0.000 2.481 669 S HA 0.025 4.490 4.470 -0.008 0.000 0.276 669 S C 0.241 174.849 174.600 0.013 0.000 1.247 669 S CA -0.623 57.605 58.200 0.047 0.000 1.053 669 S CB 0.066 63.372 63.200 0.177 0.000 0.925 669 S HN 0.663 nan 8.310 nan 0.000 0.491 670 N N 3.848 122.553 118.700 0.008 0.000 2.452 670 N HA 0.060 4.795 4.740 -0.008 0.000 0.266 670 N C -0.594 174.899 175.510 -0.029 0.000 1.175 670 N CA -0.327 52.710 53.050 -0.023 0.000 0.945 670 N CB 0.561 39.040 38.487 -0.013 0.000 1.063 670 N HN 0.226 nan 8.380 nan 0.000 0.472 671 V N 3.817 123.686 119.914 -0.075 0.000 2.488 671 V HA -0.020 4.095 4.120 -0.008 0.000 0.277 671 V C 0.839 176.907 176.094 -0.044 0.000 1.046 671 V CA -0.549 61.717 62.300 -0.057 0.000 0.986 671 V CB 0.709 32.472 31.823 -0.101 0.000 0.989 671 V HN 0.684 nan 8.190 nan 0.000 0.475 672 N N 5.793 124.450 118.700 -0.071 0.000 2.971 672 N HA 0.286 5.021 4.740 -0.008 0.000 0.294 672 N C -0.944 174.516 175.510 -0.084 0.000 1.210 672 N CA 0.427 53.404 53.050 -0.121 0.000 1.157 672 N CB -0.596 37.705 38.487 -0.311 0.000 1.450 672 N HN 0.647 nan 8.380 nan 0.000 0.527 673 L N 0.609 121.813 121.223 -0.033 0.000 2.518 673 L HA 0.315 4.650 4.340 -0.008 0.000 0.257 673 L C 0.466 177.339 176.870 0.004 0.000 0.980 673 L CA -0.937 53.899 54.840 -0.007 0.000 0.837 673 L CB 1.964 44.042 42.059 0.032 0.000 1.410 673 L HN 0.178 nan 8.230 nan 0.000 0.410 674 K N 0.850 121.254 120.400 0.007 0.000 2.171 674 K HA -0.032 4.283 4.320 -0.008 0.000 0.248 674 K C -0.055 176.553 176.600 0.014 0.000 1.068 674 K CA 0.181 56.474 56.287 0.010 0.000 0.777 674 K CB 0.236 32.742 32.500 0.009 0.000 1.061 674 K HN 0.537 nan 8.250 nan 0.000 0.535 675 E N -0.033 120.171 120.200 0.007 0.000 2.481 675 E HA -0.035 4.310 4.350 -0.008 0.000 0.263 675 E C -0.990 175.621 176.600 0.018 0.000 0.992 675 E CA 0.256 56.658 56.400 0.004 0.000 0.938 675 E CB 0.726 30.421 29.700 -0.009 0.000 0.933 675 E HN 0.155 nan 8.360 nan 0.000 0.453 676 V N 4.593 124.524 119.914 0.029 0.000 2.447 676 V HA 0.078 4.193 4.120 -0.008 0.000 0.292 676 V C 0.651 176.723 176.094 -0.036 0.000 1.021 676 V CA -0.779 61.544 62.300 0.038 0.000 0.850 676 V CB 1.445 33.369 31.823 0.169 0.000 1.005 676 V HN 0.599 nan 8.190 nan 0.000 0.426 677 N N 2.876 121.506 118.700 -0.116 0.000 2.173 677 N HA 0.065 4.800 4.740 -0.008 0.000 0.184 677 N C -0.197 174.925 175.510 -0.647 0.000 1.025 677 N CA 1.446 54.276 53.050 -0.367 0.000 0.852 677 N CB 0.166 38.459 38.487 -0.323 0.000 0.998 677 N HN 0.660 nan 8.380 nan 0.000 0.427 678 Y N -0.862 119.389 120.300 -0.082 0.000 2.638 678 Y HA 0.537 5.082 4.550 -0.008 0.000 0.339 678 Y C -0.200 175.575 175.900 -0.208 0.000 1.084 678 Y CA -1.389 56.624 58.100 -0.144 0.000 1.068 678 Y CB 1.556 39.888 38.460 -0.212 0.000 1.294 678 Y HN -0.113 nan 8.280 nan 0.000 0.480 679 M N 1.577 121.129 119.600 -0.080 0.000 2.605 679 M HA 0.742 5.217 4.480 -0.008 0.000 0.281 679 M C -2.017 174.165 176.300 -0.196 0.000 1.166 679 M CA -0.817 54.346 55.300 -0.229 0.000 0.875 679 M CB 1.834 34.148 32.600 -0.477 0.000 1.732 679 M HN 0.877 nan 8.290 nan 0.000 0.504 680 C N 0.563 119.755 119.300 -0.182 0.000 3.171 680 C HA 0.945 5.400 4.460 -0.008 0.000 0.336 680 C C -2.982 171.979 174.990 -0.048 0.000 1.198 680 C CA -1.126 57.825 59.018 -0.111 0.000 1.319 680 C CB 1.979 29.607 27.740 -0.188 0.000 1.682 680 C HN 0.942 nan 8.230 nan 0.000 0.497 681 P HA 0.362 nan 4.420 nan 0.000 0.271 681 P C -1.033 176.326 177.300 0.100 0.000 1.220 681 P CA 0.228 63.400 63.100 0.120 0.000 0.768 681 P CB 1.030 32.869 31.700 0.233 0.000 0.848 682 L N 3.737 125.036 121.223 0.127 0.000 2.342 682 L HA 0.485 4.820 4.340 -0.008 0.000 0.276 682 L C -0.544 176.542 176.870 0.360 0.000 0.997 682 L CA -0.529 54.431 54.840 0.200 0.000 0.838 682 L CB 0.974 43.054 42.059 0.035 0.000 1.224 682 L HN 0.176 nan 8.230 nan 0.000 0.416 683 N N 2.740 121.809 118.700 0.615 0.000 3.091 683 N HA 0.263 4.998 4.740 -0.008 0.000 0.255 683 N C -0.734 174.904 175.510 0.214 0.000 1.204 683 N CA 0.070 53.261 53.050 0.234 0.000 0.990 683 N CB 0.586 39.055 38.487 -0.028 0.000 1.260 683 N HN 0.608 nan 8.380 nan 0.000 0.502 684 S N 0.908 116.765 115.700 0.263 0.000 2.652 684 S HA 0.197 4.662 4.470 -0.008 0.000 0.270 684 S C 1.005 175.664 174.600 0.098 0.000 1.243 684 S CA -0.487 57.845 58.200 0.219 0.000 0.999 684 S CB 0.671 64.070 63.200 0.332 0.000 0.973 684 S HN 0.441 nan 8.310 nan 0.000 0.544 685 D N 2.659 123.088 120.400 0.048 0.000 2.106 685 D HA -0.102 4.533 4.640 -0.008 0.000 0.191 685 D C 1.795 178.048 176.300 -0.078 0.000 0.997 685 D CA 1.766 55.758 54.000 -0.014 0.000 0.834 685 D CB -0.639 40.150 40.800 -0.020 0.000 0.956 685 D HN 0.767 nan 8.370 nan 0.000 0.448 686 G N -1.179 107.528 108.800 -0.156 0.000 2.572 686 G HA2 -0.120 3.835 3.960 -0.008 0.000 0.216 686 G HA3 -0.120 3.835 3.960 -0.008 0.000 0.216 686 G C 0.130 174.635 174.900 -0.658 0.000 1.133 686 G CA 0.205 45.051 45.100 -0.423 0.000 0.791 686 G HN 0.255 nan 8.290 nan 0.000 0.538 687 Y N 0.887 121.210 120.300 0.039 0.000 2.749 687 Y HA 0.369 4.914 4.550 -0.008 0.000 0.343 687 Y C -2.488 173.448 175.900 0.061 0.000 1.015 687 Y CA -2.606 55.529 58.100 0.058 0.000 1.270 687 Y CB 2.146 40.654 38.460 0.080 0.000 1.097 687 Y HN -0.048 nan 8.280 nan 0.000 0.571 688 P HA 0.153 nan 4.420 nan 0.000 0.290 688 P C -0.341 177.021 177.300 0.102 0.000 1.276 688 P CA -0.199 62.955 63.100 0.090 0.000 0.808 688 P CB 0.937 32.656 31.700 0.032 0.000 0.966 689 D N -0.357 120.093 120.400 0.084 0.000 2.689 689 D HA -0.110 4.525 4.640 -0.008 0.000 0.237 689 D C -0.396 175.940 176.300 0.059 0.000 1.148 689 D CA 1.110 55.146 54.000 0.059 0.000 0.656 689 D CB -1.487 39.331 40.800 0.029 0.000 1.050 689 D HN 0.319 nan 8.370 nan 0.000 0.426 690 S N -0.583 115.176 115.700 0.098 0.000 2.767 690 S HA 0.788 5.253 4.470 -0.008 0.000 0.300 690 S C 0.510 175.114 174.600 0.007 0.000 1.123 690 S CA -0.842 57.401 58.200 0.072 0.000 0.992 690 S CB 2.202 65.492 63.200 0.149 0.000 1.138 690 S HN 0.181 nan 8.310 nan 0.000 0.550 691 L N 0.996 122.189 121.223 -0.050 0.000 2.365 691 L HA 0.688 5.023 4.340 -0.008 0.000 0.273 691 L C -0.342 176.451 176.870 -0.128 0.000 1.000 691 L CA -0.955 53.828 54.840 -0.095 0.000 0.819 691 L CB 1.710 43.682 42.059 -0.145 0.000 1.284 691 L HN 0.743 nan 8.230 nan 0.000 0.418 692 A N 5.139 127.873 122.820 -0.144 0.000 2.260 692 A HA 0.759 5.074 4.320 -0.008 0.000 0.308 692 A C -0.715 176.755 177.584 -0.190 0.000 1.254 692 A CA -0.315 51.621 52.037 -0.169 0.000 0.874 692 A CB 0.257 19.153 19.000 -0.172 0.000 1.153 692 A HN 0.645 nan 8.150 nan 0.000 0.527 693 L N 2.446 123.568 121.223 -0.168 0.000 2.376 693 L HA 0.689 5.024 4.340 -0.008 0.000 0.275 693 L C 0.118 176.929 176.870 -0.097 0.000 0.987 693 L CA -0.505 54.236 54.840 -0.165 0.000 0.828 693 L CB 2.037 43.997 42.059 -0.165 0.000 1.249 693 L HN 0.735 nan 8.230 nan 0.000 0.409 694 A N 3.518 126.299 122.820 -0.065 0.000 2.318 694 A HA 0.657 4.972 4.320 -0.008 0.000 0.317 694 A C -0.485 177.108 177.584 0.015 0.000 1.159 694 A CA -0.685 51.344 52.037 -0.014 0.000 0.799 694 A CB 0.854 19.852 19.000 -0.005 0.000 1.194 694 A HN 0.790 nan 8.150 nan 0.000 0.479 695 N N 1.614 120.323 118.700 0.016 0.000 2.776 695 N HA 0.153 4.888 4.740 -0.008 0.000 0.319 695 N C -0.035 175.500 175.510 0.042 0.000 1.316 695 N CA -0.782 52.278 53.050 0.017 0.000 0.890 695 N CB 0.318 38.812 38.487 0.011 0.000 1.165 695 N HN 0.491 nan 8.380 nan 0.000 0.596 696 N N -0.828 117.895 118.700 0.038 0.000 2.453 696 N HA -0.098 4.637 4.740 -0.008 0.000 0.183 696 N C 0.787 176.338 175.510 0.069 0.000 1.041 696 N CA 1.415 54.498 53.050 0.056 0.000 0.900 696 N CB 0.012 38.522 38.487 0.039 0.000 0.961 696 N HN 0.717 nan 8.380 nan 0.000 0.443 697 S N -2.249 113.486 115.700 0.057 0.000 2.653 697 S HA 0.167 4.632 4.470 -0.008 0.000 0.259 697 S C 0.542 175.178 174.600 0.060 0.000 1.076 697 S CA -0.332 57.903 58.200 0.059 0.000 1.051 697 S CB 1.141 64.365 63.200 0.041 0.000 0.994 697 S HN -0.100 nan 8.310 nan 0.000 0.552 698 T N 2.566 117.149 114.554 0.049 0.000 2.991 698 T HA 0.569 4.914 4.350 -0.008 0.000 0.303 698 T C -1.481 173.231 174.700 0.020 0.000 1.015 698 T CA -0.448 61.674 62.100 0.036 0.000 1.007 698 T CB 1.723 70.605 68.868 0.023 0.000 1.034 698 T HN 0.297 nan 8.240 nan 0.000 0.446 699 L N 3.870 125.105 121.223 0.020 0.000 2.417 699 L HA 0.695 5.030 4.340 -0.008 0.000 0.268 699 L C -0.222 176.626 176.870 -0.037 0.000 1.158 699 L CA 0.706 55.537 54.840 -0.015 0.000 0.819 699 L CB 0.901 42.954 42.059 -0.010 0.000 1.112 699 L HN 0.649 nan 8.230 nan 0.000 0.458 700 T N 6.022 120.533 114.554 -0.071 0.000 3.011 700 T HA 0.529 4.874 4.350 -0.008 0.000 0.303 700 T C -0.618 173.999 174.700 -0.139 0.000 0.997 700 T CA -0.371 61.677 62.100 -0.087 0.000 1.007 700 T CB 0.910 69.736 68.868 -0.070 0.000 1.017 700 T HN 0.393 nan 8.240 nan 0.000 0.443 701 I N 2.207 122.665 120.570 -0.186 0.000 2.392 701 I HA 0.850 5.015 4.170 -0.008 0.000 0.295 701 I C 0.725 176.747 176.117 -0.158 0.000 0.985 701 I CA -0.417 60.725 61.300 -0.264 0.000 1.221 701 I CB 1.070 38.696 38.000 -0.623 0.000 1.366 701 I HN 0.831 nan 8.210 nan 0.000 0.467 702 G N 3.006 111.743 108.800 -0.106 0.000 2.550 702 G HA2 0.435 4.390 3.960 -0.008 0.000 0.293 702 G HA3 0.435 4.390 3.960 -0.008 0.000 0.293 702 G C -1.578 173.305 174.900 -0.028 0.000 1.402 702 G CA -0.423 44.621 45.100 -0.094 0.000 0.784 702 G HN 0.562 nan 8.290 nan 0.000 0.482 703 T N -0.189 114.340 114.554 -0.042 0.000 2.823 703 T HA 0.609 4.954 4.350 -0.008 0.000 0.279 703 T C -0.371 174.291 174.700 -0.063 0.000 0.998 703 T CA -0.500 61.616 62.100 0.027 0.000 0.994 703 T CB 0.880 69.863 68.868 0.192 0.000 0.960 703 T HN 0.656 nan 8.240 nan 0.000 0.448 704 I N 3.973 124.485 120.570 -0.095 0.000 2.365 704 I HA 0.339 4.504 4.170 -0.008 0.000 0.291 704 I C -0.139 175.926 176.117 -0.087 0.000 1.004 704 I CA -0.706 60.516 61.300 -0.130 0.000 1.311 704 I CB 0.753 38.641 38.000 -0.188 0.000 1.401 704 I HN 0.597 nan 8.210 nan 0.000 0.491 705 D N 6.144 126.488 120.400 -0.093 0.000 2.571 705 D HA -0.098 4.537 4.640 -0.008 0.000 0.231 705 D C 0.983 177.277 176.300 -0.009 0.000 1.133 705 D CA 0.542 54.538 54.000 -0.006 0.000 0.862 705 D CB 0.847 41.661 40.800 0.024 0.000 1.179 705 D HN 0.588 nan 8.370 nan 0.000 0.474 706 E N 1.194 121.397 120.200 0.004 0.000 2.106 706 E HA -0.073 4.272 4.350 -0.008 0.000 0.192 706 E C 0.306 176.873 176.600 -0.056 0.000 0.984 706 E CA 0.823 57.204 56.400 -0.032 0.000 0.806 706 E CB 0.318 30.005 29.700 -0.022 0.000 0.750 706 E HN 0.452 nan 8.360 nan 0.000 0.458 707 I N -0.125 120.430 120.570 -0.025 0.000 2.969 707 I HA 0.106 4.271 4.170 -0.008 0.000 0.307 707 I C -0.183 175.947 176.117 0.021 0.000 1.149 707 I CA -0.823 60.457 61.300 -0.033 0.000 1.008 707 I CB 2.045 40.019 38.000 -0.043 0.000 1.232 707 I HN -0.149 nan 8.210 nan 0.000 0.435 708 Q N 2.787 122.608 119.800 0.035 0.000 2.315 708 Q HA -0.050 4.285 4.340 -0.008 0.000 0.289 708 Q C 0.202 176.229 176.000 0.046 0.000 1.044 708 Q CA 0.700 56.542 55.803 0.066 0.000 0.920 708 Q CB 0.796 29.571 28.738 0.061 0.000 1.214 708 Q HN 0.525 nan 8.270 nan 0.000 0.392 709 K N 3.660 124.105 120.400 0.076 0.000 2.424 709 K HA 0.163 4.478 4.320 -0.008 0.000 0.200 709 K C -0.891 175.608 176.600 -0.168 0.000 1.279 709 K CA 0.081 56.333 56.287 -0.059 0.000 0.918 709 K CB 0.358 32.791 32.500 -0.111 0.000 1.287 709 K HN 0.535 nan 8.250 nan 0.000 0.502 710 L N 2.485 123.643 121.223 -0.109 0.000 2.239 710 L HA -0.126 4.209 4.340 -0.008 0.000 0.598 710 L C -2.079 174.639 176.870 -0.255 0.000 1.000 710 L CA 0.607 55.409 54.840 -0.063 0.000 1.288 710 L CB -0.973 41.073 42.059 -0.022 0.000 1.989 710 L HN 0.575 nan 8.230 nan 0.000 0.990 711 H N 6.137 125.226 119.070 0.033 0.000 2.538 711 H HA 0.631 5.181 4.556 -0.008 0.000 0.353 711 H C -0.014 175.329 175.328 0.025 0.000 1.109 711 H CA -0.887 55.182 56.048 0.035 0.000 1.192 711 H CB 1.743 31.526 29.762 0.036 0.000 1.555 711 H HN 0.404 nan 8.280 nan 0.000 0.518 712 I N 1.575 122.217 120.570 0.121 0.000 2.797 712 I HA 0.371 4.536 4.170 -0.008 0.000 0.310 712 I C 0.553 176.708 176.117 0.064 0.000 0.990 712 I CA -0.487 60.853 61.300 0.067 0.000 1.228 712 I CB 1.320 39.346 38.000 0.044 0.000 1.406 712 I HN 0.430 nan 8.210 nan 0.000 0.534 713 R N 1.303 121.820 120.500 0.028 0.000 2.604 713 R HA 0.485 4.820 4.340 -0.008 0.000 0.281 713 R C -1.392 174.900 176.300 -0.012 0.000 1.020 713 R CA -0.377 55.731 56.100 0.014 0.000 0.899 713 R CB 2.246 32.551 30.300 0.009 0.000 1.205 713 R HN 0.745 nan 8.270 nan 0.000 0.450 714 T N 2.592 117.137 114.554 -0.014 0.000 2.859 714 T HA 0.433 4.778 4.350 -0.008 0.000 0.281 714 T C -0.741 173.927 174.700 -0.054 0.000 1.005 714 T CA -0.458 61.621 62.100 -0.036 0.000 1.025 714 T CB 1.638 70.489 68.868 -0.027 0.000 0.977 714 T HN 0.242 nan 8.240 nan 0.000 0.458 715 V N 5.749 125.612 119.914 -0.085 0.000 2.398 715 V HA 0.359 4.474 4.120 -0.008 0.000 0.282 715 V C -2.329 173.667 176.094 -0.163 0.000 1.014 715 V CA -1.925 60.312 62.300 -0.104 0.000 0.838 715 V CB 1.273 33.034 31.823 -0.103 0.000 1.018 715 V HN 0.706 nan 8.190 nan 0.000 0.432 716 P HA 0.410 nan 4.420 nan 0.000 0.279 716 P C -0.009 176.930 177.300 -0.602 0.000 1.239 716 P CA -0.173 62.669 63.100 -0.429 0.000 0.789 716 P CB 2.329 33.736 31.700 -0.488 0.000 0.933 717 L N 1.811 122.653 121.223 -0.635 0.000 2.685 717 L HA 0.210 4.545 4.340 -0.008 0.000 0.235 717 L C 0.423 177.056 176.870 -0.395 0.000 1.070 717 L CA -0.051 54.526 54.840 -0.439 0.000 0.888 717 L CB -0.527 41.404 42.059 -0.212 0.000 1.203 717 L HN 0.310 nan 8.230 nan 0.000 0.499 718 Y N 0.082 120.362 120.300 -0.033 0.000 3.825 718 Y HA -0.275 4.270 4.550 -0.008 0.000 0.221 718 Y C 0.117 175.996 175.900 -0.035 0.000 1.195 718 Y CA 0.088 58.167 58.100 -0.034 0.000 1.699 718 Y CB -2.419 36.011 38.460 -0.050 0.000 1.531 718 Y HN 0.345 nan 8.280 nan 0.000 0.640 719 E N -0.677 119.544 120.200 0.036 0.000 2.383 719 E HA 0.502 4.847 4.350 -0.008 0.000 0.275 719 E C -0.705 175.924 176.600 0.048 0.000 0.918 719 E CA -1.002 55.414 56.400 0.028 0.000 0.764 719 E CB 1.878 31.565 29.700 -0.021 0.000 1.252 719 E HN 0.046 nan 8.360 nan 0.000 0.449 720 S N 2.692 118.448 115.700 0.094 0.000 2.510 720 S HA 0.099 4.564 4.470 -0.008 0.000 0.279 720 S C -1.900 172.715 174.600 0.026 0.000 1.284 720 S CA -0.925 57.325 58.200 0.084 0.000 1.059 720 S CB 0.514 63.794 63.200 0.134 0.000 0.901 720 S HN 0.399 nan 8.310 nan 0.000 0.491 721 P HA 0.159 nan 4.420 nan 0.000 0.226 721 P C 0.980 178.291 177.300 0.018 0.000 1.160 721 P CA -0.056 63.042 63.100 -0.002 0.000 0.837 721 P CB 0.247 31.934 31.700 -0.022 0.000 0.860 722 R N -1.587 118.930 120.500 0.028 0.000 1.195 722 R HA -0.164 4.171 4.340 -0.008 0.000 0.014 722 R C -0.323 176.018 176.300 0.068 0.000 0.961 722 R CA 1.802 57.934 56.100 0.054 0.000 1.984 722 R CB -1.297 29.045 30.300 0.070 0.000 0.125 722 R HN 0.084 nan 8.270 nan 0.000 0.732 723 K N 0.381 120.823 120.400 0.070 0.000 2.502 723 K HA 0.558 4.873 4.320 -0.008 0.000 0.257 723 K C -1.083 175.570 176.600 0.089 0.000 0.938 723 K CA -0.200 56.141 56.287 0.089 0.000 0.819 723 K CB 2.248 34.811 32.500 0.105 0.000 1.333 723 K HN 0.343 nan 8.250 nan 0.000 0.434 724 I N -0.390 120.250 120.570 0.116 0.000 2.752 724 I HA 0.662 4.827 4.170 -0.008 0.000 0.295 724 I C -1.300 174.947 176.117 0.218 0.000 1.219 724 I CA -0.379 61.012 61.300 0.152 0.000 1.030 724 I CB 1.919 39.993 38.000 0.124 0.000 1.259 724 I HN 0.813 nan 8.210 nan 0.000 0.423 725 C N 3.590 123.065 119.300 0.292 0.000 3.239 725 C HA 0.622 5.076 4.460 -0.008 0.000 0.329 725 C C -1.569 173.623 174.990 0.337 0.000 1.252 725 C CA -0.868 58.333 59.018 0.305 0.000 1.323 725 C CB 0.944 28.832 27.740 0.247 0.000 1.663 725 C HN 0.951 nan 8.230 nan 0.000 0.487 726 Y N 1.890 122.177 120.300 -0.021 0.000 2.335 726 Y HA 0.552 5.097 4.550 -0.008 0.000 0.339 726 Y C 0.246 175.996 175.900 -0.249 0.000 0.987 726 Y CA -0.203 57.658 58.100 -0.399 0.000 1.140 726 Y CB 1.165 39.244 38.460 -0.636 0.000 1.173 726 Y HN 0.919 nan 8.280 nan 0.000 0.486 727 Q N 5.789 125.254 119.800 -0.559 0.000 2.571 727 Q HA 0.119 4.454 4.340 -0.008 0.000 0.222 727 Q C 0.938 176.366 176.000 -0.954 0.000 1.167 727 Q CA -0.118 55.294 55.803 -0.653 0.000 0.966 727 Q CB 0.559 28.939 28.738 -0.597 0.000 1.274 727 Q HN 0.888 nan 8.270 nan 0.000 0.552 728 E N 2.488 122.014 120.200 -1.124 0.000 2.204 728 E HA -0.152 4.193 4.350 -0.008 0.000 0.195 728 E C 1.059 177.361 176.600 -0.498 0.000 0.990 728 E CA 1.248 57.018 56.400 -1.050 0.000 0.821 728 E CB 0.380 29.725 29.700 -0.592 0.000 0.750 728 E HN 0.627 nan 8.360 nan 0.000 0.477 729 V N 0.966 120.645 119.914 -0.393 0.000 2.270 729 V HA -0.210 3.905 4.120 -0.008 0.000 0.245 729 V C 2.286 178.262 176.094 -0.196 0.000 1.043 729 V CA 1.954 64.105 62.300 -0.249 0.000 1.014 729 V CB -0.787 30.894 31.823 -0.238 0.000 0.645 729 V HN 0.302 nan 8.190 nan 0.000 0.447 730 S N -0.827 114.752 115.700 -0.202 0.000 2.710 730 S HA 0.035 4.500 4.470 -0.008 0.000 0.224 730 S C 0.722 175.288 174.600 -0.058 0.000 0.948 730 S CA -0.221 57.931 58.200 -0.080 0.000 0.949 730 S CB -0.429 62.786 63.200 0.024 0.000 0.778 730 S HN 0.574 nan 8.310 nan 0.000 0.498 731 Q N -0.144 119.559 119.800 -0.163 0.000 2.448 731 Q HA -0.198 4.137 4.340 -0.008 0.000 0.356 731 Q C -0.716 175.196 176.000 -0.147 0.000 1.430 731 Q CA 0.748 56.450 55.803 -0.169 0.000 1.011 731 Q CB -1.982 26.673 28.738 -0.137 0.000 1.203 731 Q HN 0.749 nan 8.270 nan 0.000 0.351 732 C N 0.782 120.035 119.300 -0.079 0.000 3.181 732 C HA 0.640 5.095 4.460 -0.008 0.000 0.362 732 C C -1.016 174.051 174.990 0.127 0.000 1.125 732 C CA -0.887 58.166 59.018 0.060 0.000 1.265 732 C CB 1.337 29.148 27.740 0.118 0.000 1.632 732 C HN 0.471 nan 8.230 nan 0.000 0.525 733 F N 2.551 122.627 119.950 0.210 0.000 2.425 733 F HA 0.646 5.169 4.527 -0.008 0.000 0.331 733 F C 1.004 176.835 175.800 0.053 0.000 1.085 733 F CA 0.296 58.427 58.000 0.218 0.000 1.028 733 F CB 1.756 40.824 39.000 0.114 0.000 1.177 733 F HN 0.747 nan 8.300 nan 0.000 0.487 734 G N 1.664 110.585 108.800 0.202 0.000 2.478 734 G HA2 0.601 4.556 3.960 -0.008 0.000 0.317 734 G HA3 0.601 4.556 3.960 -0.008 0.000 0.317 734 G C -1.893 172.982 174.900 -0.042 0.000 1.259 734 G CA -0.574 44.363 45.100 -0.270 0.000 0.933 734 G HN 0.490 nan 8.290 nan 0.000 0.478 735 V N 3.244 123.109 119.914 -0.081 0.000 2.588 735 V HA 0.404 4.519 4.120 -0.008 0.000 0.304 735 V C -0.097 175.981 176.094 -0.027 0.000 1.042 735 V CA -0.723 61.569 62.300 -0.012 0.000 0.877 735 V CB 1.943 33.764 31.823 -0.004 0.000 0.996 735 V HN 0.651 nan 8.190 nan 0.000 0.425 736 L N 4.859 126.087 121.223 0.010 0.000 2.268 736 L HA 0.441 4.776 4.340 -0.008 0.000 0.289 736 L C 0.796 177.677 176.870 0.018 0.000 1.064 736 L CA 0.107 54.960 54.840 0.020 0.000 0.824 736 L CB 1.040 43.132 42.059 0.054 0.000 1.202 736 L HN 0.870 nan 8.230 nan 0.000 0.433 737 S N 2.033 117.733 115.700 -0.000 0.000 2.690 737 S HA 0.808 5.273 4.470 -0.008 0.000 0.285 737 S C -0.019 174.582 174.600 0.001 0.000 1.135 737 S CA -0.469 57.726 58.200 -0.007 0.000 1.020 737 S CB 1.892 65.070 63.200 -0.035 0.000 1.159 737 S HN 0.591 nan 8.310 nan 0.000 0.534 738 S N -0.441 115.250 115.700 -0.015 0.000 2.586 738 S HA 0.508 4.973 4.470 -0.008 0.000 0.296 738 S C -1.245 173.297 174.600 -0.097 0.000 1.120 738 S CA -1.236 56.938 58.200 -0.044 0.000 0.927 738 S CB 0.545 63.743 63.200 -0.004 0.000 1.114 738 S HN 1.139 nan 8.310 nan 0.000 0.453 739 R N 2.316 122.740 120.500 -0.125 0.000 2.599 739 R HA 0.702 5.037 4.340 -0.008 0.000 0.295 739 R C -0.544 175.656 176.300 -0.167 0.000 0.963 739 R CA -1.054 54.970 56.100 -0.126 0.000 0.883 739 R CB 0.787 31.034 30.300 -0.089 0.000 1.171 739 R HN 0.525 nan 8.270 nan 0.000 0.450 740 I N 3.016 123.478 120.570 -0.179 0.000 2.587 740 I HA 0.038 4.203 4.170 -0.008 0.000 0.284 740 I C 0.409 176.458 176.117 -0.113 0.000 1.134 740 I CA 0.598 61.802 61.300 -0.160 0.000 1.410 740 I CB -0.002 37.878 38.000 -0.200 0.000 1.392 740 I HN 0.757 nan 8.210 nan 0.000 0.545 741 E N 5.102 125.251 120.200 -0.085 0.000 2.299 741 E HA 0.539 4.884 4.350 -0.008 0.000 0.265 741 E C -0.960 175.611 176.600 -0.048 0.000 0.911 741 E CA -0.906 55.453 56.400 -0.069 0.000 0.789 741 E CB 2.997 32.654 29.700 -0.072 0.000 1.246 741 E HN 0.392 nan 8.360 nan 0.000 0.427 742 V N -0.179 119.710 119.914 -0.041 0.000 2.394 742 V HA 0.293 4.407 4.120 -0.008 0.000 0.282 742 V C -0.087 175.997 176.094 -0.016 0.000 1.031 742 V CA -1.058 61.228 62.300 -0.024 0.000 0.881 742 V CB 1.191 33.001 31.823 -0.023 0.000 0.982 742 V HN 0.649 nan 8.190 nan 0.000 0.451 743 Q N 2.909 122.708 119.800 -0.001 0.000 2.247 743 Q HA 0.070 4.405 4.340 -0.008 0.000 0.288 743 Q C -0.252 175.750 176.000 0.003 0.000 1.079 743 Q CA 0.790 56.597 55.803 0.006 0.000 0.932 743 Q CB 0.262 29.018 28.738 0.030 0.000 1.133 743 Q HN 0.981 nan 8.270 nan 0.000 0.377 744 D N 1.828 122.227 120.400 -0.002 0.000 2.383 744 D HA 0.167 4.802 4.640 -0.008 0.000 0.248 744 D C 0.500 176.803 176.300 0.004 0.000 1.170 744 D CA -0.067 53.931 54.000 -0.002 0.000 0.977 744 D CB 1.078 41.873 40.800 -0.008 0.000 1.120 744 D HN 0.653 nan 8.370 nan 0.000 0.481 745 T N -0.242 114.314 114.554 0.003 0.000 2.665 745 T HA -0.143 4.202 4.350 -0.008 0.000 0.268 745 T C 1.282 175.987 174.700 0.007 0.000 1.035 745 T CA 1.735 63.839 62.100 0.006 0.000 1.151 745 T CB -0.362 68.508 68.868 0.003 0.000 0.862 745 T HN 0.562 nan 8.240 nan 0.000 0.438 746 S N 0.792 116.494 115.700 0.004 0.000 2.121 746 S HA 0.439 4.904 4.470 -0.008 0.000 0.211 746 S C 1.186 175.789 174.600 0.006 0.000 1.316 746 S CA -0.405 57.798 58.200 0.004 0.000 1.061 746 S CB -0.858 62.343 63.200 0.001 0.000 0.831 746 S HN 0.494 nan 8.310 nan 0.000 0.419 747 G N -0.039 108.763 108.800 0.003 0.000 2.484 747 G HA2 0.426 4.381 3.960 -0.008 0.000 0.235 747 G HA3 0.426 4.381 3.960 -0.008 0.000 0.235 747 G C 0.784 175.680 174.900 -0.007 0.000 1.282 747 G CA -0.244 44.856 45.100 0.000 0.000 0.857 747 G HN 0.838 nan 8.290 nan 0.000 0.571 748 G N 0.813 109.607 108.800 -0.010 0.000 2.713 748 G HA2 0.315 4.270 3.960 -0.008 0.000 0.170 748 G HA3 0.315 4.270 3.960 -0.008 0.000 0.170 748 G C 1.401 176.279 174.900 -0.038 0.000 1.724 748 G CA 2.806 47.895 45.100 -0.019 0.000 0.892 748 G HN 1.982 nan 8.290 nan 0.000 0.376 749 T N -2.204 112.312 114.554 -0.064 0.000 11.382 749 T HA -0.310 4.035 4.350 -0.008 0.000 0.352 749 T C 0.601 175.269 174.700 -0.054 0.000 1.491 749 T CA 2.547 64.603 62.100 -0.073 0.000 1.964 749 T CB -2.237 66.583 68.868 -0.079 0.000 2.276 749 T HN 2.206 nan 8.240 nan 0.000 0.335 750 T N 0.193 114.716 114.554 -0.052 0.000 0.915 750 T HA 0.299 4.644 4.350 -0.008 0.000 0.734 750 T C 0.120 174.789 174.700 -0.052 0.000 0.985 750 T CA 0.737 62.810 62.100 -0.046 0.000 3.878 750 T CB -1.531 67.316 68.868 -0.036 0.000 2.195 750 T HN 2.013 nan 8.240 nan 0.000 0.387 751 A N 3.546 126.332 122.820 -0.057 0.000 2.313 751 A HA 0.777 5.092 4.320 -0.008 0.000 0.261 751 A C 0.622 178.169 177.584 -0.061 0.000 1.090 751 A CA -0.799 51.200 52.037 -0.064 0.000 0.807 751 A CB 0.317 19.277 19.000 -0.066 0.000 1.055 751 A HN 1.196 nan 8.150 nan 0.000 0.492 752 L N -0.316 120.865 121.223 -0.069 0.000 2.307 752 L HA 0.826 5.161 4.340 -0.008 0.000 0.284 752 L C 0.277 177.099 176.870 -0.080 0.000 1.023 752 L CA -0.956 53.841 54.840 -0.070 0.000 0.810 752 L CB 1.220 43.235 42.059 -0.072 0.000 1.231 752 L HN 1.015 nan 8.230 nan 0.000 0.423 753 R N 1.947 122.398 120.500 -0.083 0.000 1.198 753 R HA -0.090 4.245 4.340 -0.008 0.000 0.414 753 R C -2.730 173.516 176.300 -0.089 0.000 1.352 753 R CA -0.015 56.024 56.100 -0.102 0.000 1.314 753 R CB -0.753 29.470 30.300 -0.129 0.000 3.677 753 R HN 0.726 nan 8.270 nan 0.000 0.487 754 P HA 0.149 nan 4.420 nan 0.000 0.275 754 P C -0.711 176.574 177.300 -0.025 0.000 1.227 754 P CA -0.134 62.929 63.100 -0.061 0.000 0.781 754 P CB 1.598 33.262 31.700 -0.060 0.000 0.906 755 S N 0.735 116.441 115.700 0.009 0.000 2.851 755 S HA 0.628 5.093 4.470 -0.008 0.000 0.317 755 S C 1.276 175.876 174.600 0.001 0.000 1.144 755 S CA -0.224 58.029 58.200 0.089 0.000 0.862 755 S CB 0.752 63.985 63.200 0.055 0.000 1.259 755 S HN 0.366 nan 8.310 nan 0.000 0.564 756 A N 0.939 123.729 122.820 -0.050 0.000 2.084 756 A HA -0.020 4.295 4.320 -0.008 0.000 0.221 756 A C 1.971 179.331 177.584 -0.374 0.000 1.161 756 A CA 2.037 53.950 52.037 -0.207 0.000 0.653 756 A CB -1.289 17.582 19.000 -0.215 0.000 0.802 756 A HN 1.253 nan 8.150 nan 0.000 0.457 757 S N -2.367 113.194 115.700 -0.232 0.000 2.524 757 S HA 0.034 4.499 4.470 -0.008 0.000 0.215 757 S C 1.440 175.958 174.600 -0.137 0.000 0.986 757 S CA 0.752 58.822 58.200 -0.216 0.000 0.911 757 S CB -0.133 62.982 63.200 -0.141 0.000 0.805 757 S HN 0.468 nan 8.310 nan 0.000 0.501 758 T N 1.319 115.809 114.554 -0.106 0.000 2.866 758 T HA 0.187 4.532 4.350 -0.008 0.000 0.250 758 T C 1.376 176.045 174.700 -0.052 0.000 1.033 758 T CA 1.149 63.208 62.100 -0.067 0.000 1.145 758 T CB -0.685 68.151 68.868 -0.053 0.000 0.866 758 T HN 0.643 nan 8.240 nan 0.000 0.434 759 Q N 0.982 120.749 119.800 -0.055 0.000 2.431 759 Q HA 0.687 5.022 4.340 -0.008 0.000 0.234 759 Q C -0.033 175.949 176.000 -0.030 0.000 1.203 759 Q CA -0.136 55.652 55.803 -0.025 0.000 0.902 759 Q CB -0.908 27.827 28.738 -0.005 0.000 1.455 759 Q HN 0.678 nan 8.270 nan 0.000 0.515 760 A N 2.969 125.809 122.820 0.034 0.000 2.839 760 A HA 0.523 4.838 4.320 -0.008 0.000 0.303 760 A C -0.895 176.760 177.584 0.118 0.000 1.181 760 A CA -0.473 51.667 52.037 0.171 0.000 0.808 760 A CB 0.469 19.526 19.000 0.095 0.000 1.391 760 A HN 0.765 nan 8.150 nan 0.000 0.433 761 L N 2.398 123.688 121.223 0.112 0.000 2.453 761 L HA 0.463 4.798 4.340 -0.008 0.000 0.272 761 L C 1.058 177.962 176.870 0.057 0.000 1.182 761 L CA 1.804 56.685 54.840 0.068 0.000 0.858 761 L CB 0.445 42.540 42.059 0.061 0.000 1.120 761 L HN 1.764 nan 8.230 nan 0.000 0.474 762 S N 2.402 118.131 115.700 0.049 0.000 3.551 762 S HA -0.096 4.369 4.470 -0.008 0.000 0.547 762 S C -0.242 174.281 174.600 -0.128 0.000 0.699 762 S CA 0.388 58.623 58.200 0.058 0.000 1.399 762 S CB -2.191 61.099 63.200 0.150 0.000 0.922 762 S HN 1.606 nan 8.310 nan 0.000 0.818 763 S N 1.073 116.685 115.700 -0.146 0.000 2.588 763 S HA 0.955 5.420 4.470 -0.008 0.000 0.275 763 S C -0.377 174.196 174.600 -0.045 0.000 1.130 763 S CA -0.125 57.889 58.200 -0.311 0.000 0.855 763 S CB 1.946 65.073 63.200 -0.122 0.000 1.116 763 S HN 2.272 nan 8.310 nan 0.000 0.472 764 S N -0.105 115.656 115.700 0.103 0.000 2.627 764 S HA 0.852 5.317 4.470 -0.008 0.000 0.283 764 S C -1.344 173.462 174.600 0.343 0.000 1.127 764 S CA -0.869 57.542 58.200 0.351 0.000 0.863 764 S CB 1.340 64.883 63.200 0.573 0.000 1.121 764 S HN 1.233 nan 8.310 nan 0.000 0.479 765 V N 1.987 122.081 119.914 0.300 0.000 2.462 765 V HA 0.516 4.630 4.120 -0.008 0.000 0.288 765 V C 0.120 176.397 176.094 0.306 0.000 1.020 765 V CA -0.674 61.699 62.300 0.121 0.000 0.857 765 V CB 1.185 33.020 31.823 0.019 0.000 1.013 765 V HN 1.093 nan 8.190 nan 0.000 0.431 766 S N 2.768 118.796 115.700 0.547 0.000 2.516 766 S HA 0.203 4.668 4.470 -0.008 0.000 0.282 766 S C 0.835 175.587 174.600 0.254 0.000 1.286 766 S CA 0.218 58.710 58.200 0.487 0.000 1.066 766 S CB 0.975 64.579 63.200 0.673 0.000 0.884 766 S HN 1.115 nan 8.310 nan 0.000 0.491 767 S N 1.988 117.804 115.700 0.194 0.000 2.561 767 S HA 0.250 4.715 4.470 -0.008 0.000 0.245 767 S C 0.144 174.822 174.600 0.130 0.000 1.001 767 S CA -0.738 57.545 58.200 0.139 0.000 1.002 767 S CB -0.578 62.688 63.200 0.109 0.000 0.805 767 S HN 0.681 nan 8.310 nan 0.000 0.458 768 S N 3.576 119.362 115.700 0.145 0.000 2.953 768 S HA -0.030 4.435 4.470 -0.008 0.000 0.348 768 S C 0.999 175.652 174.600 0.088 0.000 1.215 768 S CA 0.008 58.271 58.200 0.104 0.000 1.019 768 S CB 0.190 63.454 63.200 0.106 0.000 0.726 768 S HN 0.500 nan 8.310 nan 0.000 0.503 769 K N 2.305 122.733 120.400 0.047 0.000 2.437 769 K HA 0.043 4.358 4.320 -0.008 0.000 0.198 769 K C 0.943 177.542 176.600 -0.001 0.000 1.024 769 K CA -0.024 56.291 56.287 0.047 0.000 1.148 769 K CB -0.285 32.238 32.500 0.038 0.000 0.860 769 K HN 0.509 nan 8.250 nan 0.000 0.515 770 L N -1.247 119.915 121.223 -0.101 0.000 2.456 770 L HA 0.172 4.507 4.340 -0.008 0.000 0.224 770 L C 0.633 177.276 176.870 -0.379 0.000 1.148 770 L CA 0.701 55.373 54.840 -0.280 0.000 0.825 770 L CB -1.659 40.143 42.059 -0.429 0.000 0.937 770 L HN -0.111 nan 8.230 nan 0.000 0.450 771 F N 0.342 120.341 119.950 0.082 0.000 2.432 771 F HA 0.603 5.126 4.527 -0.008 0.000 0.329 771 F C 0.796 176.646 175.800 0.084 0.000 1.076 771 F CA -0.805 57.252 58.000 0.096 0.000 1.018 771 F CB 1.618 40.701 39.000 0.139 0.000 1.201 771 F HN -0.082 nan 8.300 nan 0.000 0.489 772 S N 0.891 116.761 115.700 0.282 0.000 2.596 772 S HA 0.563 5.028 4.470 -0.008 0.000 0.318 772 S C -0.537 174.144 174.600 0.134 0.000 1.097 772 S CA -0.833 57.465 58.200 0.162 0.000 1.080 772 S CB 0.895 64.157 63.200 0.103 0.000 0.991 772 S HN 0.626 nan 8.310 nan 0.000 0.471 773 S N 3.203 118.967 115.700 0.107 0.000 2.608 773 S HA 0.540 5.005 4.470 -0.008 0.000 0.261 773 S C 0.521 175.109 174.600 -0.020 0.000 1.314 773 S CA -0.615 57.616 58.200 0.053 0.000 0.992 773 S CB 0.230 63.463 63.200 0.055 0.000 0.935 773 S HN 1.253 nan 8.310 nan 0.000 0.564 774 S N 0.079 115.708 115.700 -0.118 0.000 2.580 774 S HA 0.211 4.676 4.470 -0.008 0.000 0.274 774 S C 1.024 175.563 174.600 -0.102 0.000 1.329 774 S CA -0.465 57.659 58.200 -0.127 0.000 1.036 774 S CB 0.418 63.488 63.200 -0.218 0.000 0.919 774 S HN 0.706 nan 8.310 nan 0.000 0.515 775 T N 1.372 115.894 114.554 -0.054 0.000 2.821 775 T HA 0.133 4.478 4.350 -0.008 0.000 0.267 775 T C 0.832 175.509 174.700 -0.038 0.000 1.046 775 T CA 1.150 63.230 62.100 -0.033 0.000 1.139 775 T CB -0.333 68.526 68.868 -0.014 0.000 0.871 775 T HN 0.954 nan 8.240 nan 0.000 0.454 776 A N 2.979 125.772 122.820 -0.045 0.000 2.258 776 A HA 0.564 4.879 4.320 -0.008 0.000 0.316 776 A C -2.519 175.025 177.584 -0.067 0.000 1.279 776 A CA -1.987 50.030 52.037 -0.034 0.000 0.876 776 A CB 0.440 19.435 19.000 -0.008 0.000 1.170 776 A HN 0.079 nan 8.150 nan 0.000 0.520 777 P HA -0.072 nan 4.420 nan 0.000 0.250 777 P C 0.013 177.316 177.300 0.005 0.000 1.161 777 P CA 0.613 63.671 63.100 -0.069 0.000 0.863 777 P CB -0.479 31.217 31.700 -0.006 0.000 0.827 778 H N 0.069 119.164 119.070 0.041 0.000 3.262 778 H HA 0.243 4.794 4.556 -0.009 0.000 0.270 778 H C 0.266 175.625 175.328 0.052 0.000 1.431 778 H CA -0.612 55.452 56.048 0.026 0.000 1.237 778 H CB -0.592 29.162 29.762 -0.013 0.000 1.443 778 H HN 0.402 nan 8.280 nan 0.000 0.609 779 E N 1.885 122.214 120.200 0.215 0.000 2.168 779 E HA 0.292 4.637 4.350 -0.008 0.000 0.254 779 E C 0.445 177.120 176.600 0.126 0.000 1.228 779 E CA 0.445 56.954 56.400 0.181 0.000 0.956 779 E CB -0.499 29.276 29.700 0.126 0.000 1.031 779 E HN 0.843 nan 8.360 nan 0.000 0.441 780 T N -0.351 114.272 114.554 0.115 0.000 2.952 780 T HA 0.756 5.101 4.350 -0.008 0.000 0.286 780 T C 1.117 175.861 174.700 0.074 0.000 1.024 780 T CA 0.244 62.383 62.100 0.065 0.000 1.029 780 T CB 0.471 69.352 68.868 0.021 0.000 1.094 780 T HN 1.964 nan 8.240 nan 0.000 0.515 781 S N -0.716 115.016 115.700 0.053 0.000 3.791 781 S HA 0.542 5.007 4.470 -0.008 0.000 0.393 781 S C 1.262 175.896 174.600 0.056 0.000 0.936 781 S CA 0.676 58.909 58.200 0.055 0.000 1.234 781 S CB -2.634 60.608 63.200 0.070 0.000 0.891 781 S HN 2.694 nan 8.310 nan 0.000 0.519 782 F N -2.113 117.864 119.950 0.046 0.000 2.092 782 F HA 0.337 4.859 4.527 -0.008 0.000 0.446 782 F C 1.757 177.588 175.800 0.050 0.000 1.207 782 F CA 0.625 58.650 58.000 0.041 0.000 1.444 782 F CB -1.173 37.846 39.000 0.032 0.000 2.290 782 F HN 2.050 nan 8.300 nan 0.000 0.730 783 G N 0.645 109.473 108.800 0.047 0.000 2.807 783 G HA2 0.562 4.517 3.960 -0.008 0.000 0.207 783 G HA3 0.562 4.517 3.960 -0.008 0.000 0.207 783 G C 0.731 175.657 174.900 0.044 0.000 1.151 783 G CA 2.250 47.382 45.100 0.053 0.000 0.800 783 G HN 2.661 nan 8.290 nan 0.000 0.523 784 E N -1.070 119.152 120.200 0.037 0.000 2.524 784 E HA 0.278 4.623 4.350 -0.008 0.000 0.136 784 E C 0.823 177.436 176.600 0.021 0.000 0.846 784 E CA 0.627 57.043 56.400 0.027 0.000 1.374 784 E CB -0.532 29.181 29.700 0.021 0.000 1.087 784 E HN 0.399 nan 8.360 nan 0.000 0.513 785 E N -1.322 118.892 120.200 0.024 0.000 3.249 785 E HA 0.452 4.797 4.350 -0.008 0.000 0.184 785 E C 0.872 177.482 176.600 0.017 0.000 1.163 785 E CA 0.550 56.960 56.400 0.017 0.000 1.353 785 E CB 1.013 30.722 29.700 0.015 0.000 1.466 785 E HN 0.228 nan 8.360 nan 0.000 0.502 786 V N 1.655 121.583 119.914 0.025 0.000 3.596 786 V HA 0.104 4.219 4.120 -0.008 0.000 0.288 786 V C -0.103 176.009 176.094 0.030 0.000 1.021 786 V CA -0.243 62.072 62.300 0.024 0.000 1.020 786 V CB 1.346 33.185 31.823 0.027 0.000 1.243 786 V HN 0.200 nan 8.190 nan 0.000 0.433 787 E N 0.018 120.236 120.200 0.030 0.000 2.392 787 E HA 0.430 4.775 4.350 -0.008 0.000 0.256 787 E C -1.235 175.403 176.600 0.064 0.000 1.145 787 E CA -0.262 56.154 56.400 0.027 0.000 0.929 787 E CB 0.958 30.665 29.700 0.013 0.000 0.998 787 E HN 0.383 nan 8.360 nan 0.000 0.442 788 V N 1.017 120.961 119.914 0.051 0.000 2.841 788 V HA 0.152 4.267 4.120 -0.008 0.000 0.310 788 V C -0.168 175.980 176.094 0.091 0.000 1.090 788 V CA -0.908 61.445 62.300 0.089 0.000 0.930 788 V CB 1.672 33.499 31.823 0.006 0.000 1.014 788 V HN 0.652 nan 8.190 nan 0.000 0.425 789 H N 2.631 121.722 119.070 0.034 0.000 2.730 789 H HA 0.292 4.843 4.556 -0.008 0.000 0.376 789 H C -0.044 175.259 175.328 -0.042 0.000 1.299 789 H CA 0.710 56.770 56.048 0.021 0.000 1.447 789 H CB 1.017 30.814 29.762 0.057 0.000 1.493 789 H HN 0.781 nan 8.280 nan 0.000 0.619 790 N N 1.599 120.312 118.700 0.022 0.000 3.127 790 N HA 0.154 4.889 4.740 -0.008 0.000 0.239 790 N C -2.268 173.215 175.510 -0.045 0.000 1.200 790 N CA -0.261 52.760 53.050 -0.049 0.000 0.924 790 N CB 0.466 38.898 38.487 -0.093 0.000 1.583 790 N HN 0.259 nan 8.380 nan 0.000 0.645 791 L N 3.232 124.437 121.223 -0.029 0.000 2.356 791 L HA 0.679 5.014 4.340 -0.008 0.000 0.277 791 L C -1.280 175.554 176.870 -0.060 0.000 0.996 791 L CA -0.608 54.230 54.840 -0.003 0.000 0.822 791 L CB 1.630 43.724 42.059 0.058 0.000 1.256 791 L HN 0.423 nan 8.230 nan 0.000 0.413 792 L N 3.295 124.479 121.223 -0.064 0.000 2.350 792 L HA 0.609 4.944 4.340 -0.008 0.000 0.260 792 L C -0.398 176.456 176.870 -0.027 0.000 1.015 792 L CA -0.651 54.130 54.840 -0.098 0.000 0.821 792 L CB 1.354 43.337 42.059 -0.126 0.000 1.370 792 L HN 0.389 nan 8.230 nan 0.000 0.416 793 I N 2.946 123.530 120.570 0.024 0.000 2.472 793 I HA 0.560 4.725 4.170 -0.008 0.000 0.290 793 I C -0.603 175.511 176.117 -0.005 0.000 1.016 793 I CA -0.495 60.802 61.300 -0.005 0.000 1.348 793 I CB 0.818 38.776 38.000 -0.070 0.000 1.417 793 I HN 0.676 nan 8.210 nan 0.000 0.521 794 I N 3.274 123.814 120.570 -0.049 0.000 2.892 794 I HA 0.544 4.709 4.170 -0.008 0.000 0.306 794 I C -1.571 174.489 176.117 -0.096 0.000 1.078 794 I CA -0.937 60.373 61.300 0.017 0.000 1.032 794 I CB 2.110 40.163 38.000 0.088 0.000 1.229 794 I HN 0.316 nan 8.210 nan 0.000 0.435 795 D N 3.328 123.682 120.400 -0.077 0.000 2.453 795 D HA 0.405 5.040 4.640 -0.008 0.000 0.238 795 D C -0.716 175.555 176.300 -0.048 0.000 1.088 795 D CA -0.150 53.727 54.000 -0.205 0.000 0.854 795 D CB 1.789 42.296 40.800 -0.489 0.000 1.076 795 D HN 0.426 nan 8.370 nan 0.000 0.533 796 Q N 0.869 120.708 119.800 0.065 0.000 2.235 796 Q HA 0.218 4.553 4.340 -0.008 0.000 0.250 796 Q C 1.029 177.162 176.000 0.222 0.000 0.909 796 Q CA -0.454 55.431 55.803 0.137 0.000 0.910 796 Q CB 1.549 30.343 28.738 0.093 0.000 1.223 796 Q HN 0.461 nan 8.270 nan 0.000 0.432 797 H N 0.892 120.034 119.070 0.121 0.000 3.392 797 H HA -0.072 4.479 4.556 -0.008 0.000 0.304 797 H C -0.029 175.387 175.328 0.147 0.000 0.986 797 H CA 2.106 58.237 56.048 0.138 0.000 1.012 797 H CB 0.587 30.438 29.762 0.148 0.000 1.682 797 H HN 0.646 nan 8.280 nan 0.000 0.978 798 T N -0.765 113.780 114.554 -0.016 0.000 3.484 798 T HA 0.079 4.424 4.350 -0.008 0.000 0.123 798 T C -0.765 173.888 174.700 -0.078 0.000 0.695 798 T CA -0.070 61.922 62.100 -0.181 0.000 0.749 798 T CB -0.572 67.826 68.868 -0.783 0.000 0.945 798 T HN 0.273 nan 8.240 nan 0.000 0.241 799 F N 3.505 123.577 119.950 0.202 0.000 2.495 799 F HA 0.600 5.121 4.527 -0.008 0.000 0.365 799 F C 1.438 177.380 175.800 0.237 0.000 1.090 799 F CA -0.595 57.514 58.000 0.182 0.000 1.235 799 F CB -0.032 39.058 39.000 0.150 0.000 1.119 799 F HN 0.680 nan 8.300 nan 0.000 0.562 800 E N 1.473 121.868 120.200 0.325 0.000 4.280 800 E HA -0.281 4.064 4.350 -0.008 0.000 0.363 800 E C 0.544 177.234 176.600 0.149 0.000 0.588 800 E CA 1.404 57.926 56.400 0.204 0.000 1.520 800 E CB -1.639 28.170 29.700 0.180 0.000 1.861 800 E HN 1.580 nan 8.360 nan 0.000 0.402 801 V N -0.508 119.515 119.914 0.182 0.000 3.785 801 V HA -0.278 3.837 4.120 -0.008 0.000 0.188 801 V C 1.093 177.250 176.094 0.105 0.000 0.550 801 V CA 1.837 64.210 62.300 0.123 0.000 0.989 801 V CB -2.528 29.301 31.823 0.009 0.000 1.081 801 V HN 0.352 nan 8.190 nan 0.000 1.045 802 L N 1.256 122.546 121.223 0.111 0.000 2.506 802 L HA 0.157 4.492 4.340 -0.008 0.000 0.281 802 L C 1.264 178.210 176.870 0.127 0.000 1.228 802 L CA 0.691 55.586 54.840 0.093 0.000 0.850 802 L CB 0.397 42.479 42.059 0.039 0.000 1.110 802 L HN 0.726 nan 8.230 nan 0.000 0.496 803 H N 3.452 122.546 119.070 0.040 0.000 2.723 803 H HA 0.211 4.762 4.556 -0.008 0.000 0.294 803 H C 0.151 175.514 175.328 0.058 0.000 1.079 803 H CA 0.047 56.116 56.048 0.036 0.000 1.411 803 H CB 1.452 31.216 29.762 0.003 0.000 1.439 803 H HN 0.764 nan 8.280 nan 0.000 0.474 804 A N 4.667 127.255 122.820 -0.387 0.000 1.826 804 A HA -0.068 4.247 4.320 -0.008 0.000 0.214 804 A C 0.607 177.934 177.584 -0.428 0.000 1.212 804 A CA 1.138 53.021 52.037 -0.256 0.000 0.605 804 A CB -0.404 18.613 19.000 0.029 0.000 0.861 804 A HN 0.881 nan 8.150 nan 0.000 0.447 805 H N -2.238 116.542 119.070 -0.484 0.000 2.679 805 H HA 0.613 5.164 4.556 -0.008 0.000 0.360 805 H C -0.512 174.829 175.328 0.021 0.000 1.105 805 H CA 0.354 56.286 56.048 -0.193 0.000 1.196 805 H CB 1.107 30.863 29.762 -0.009 0.000 1.636 805 H HN 0.528 nan 8.280 nan 0.000 0.531 806 Q N 3.978 123.707 119.800 -0.117 0.000 2.342 806 Q HA 0.566 4.901 4.340 -0.008 0.000 0.267 806 Q C -1.806 174.174 176.000 -0.032 0.000 1.038 806 Q CA -0.788 55.062 55.803 0.078 0.000 0.832 806 Q CB 1.945 30.751 28.738 0.114 0.000 1.323 806 Q HN 0.654 nan 8.270 nan 0.000 0.448 807 F N 2.020 121.932 119.950 -0.063 0.000 2.585 807 F HA 0.616 5.139 4.527 -0.008 0.000 0.319 807 F C -1.223 174.565 175.800 -0.020 0.000 1.165 807 F CA -0.972 57.017 58.000 -0.020 0.000 0.949 807 F CB 1.472 40.485 39.000 0.022 0.000 1.218 807 F HN 0.644 nan 8.300 nan 0.000 0.453 808 L N 7.132 127.933 121.223 -0.702 0.000 2.313 808 L HA 0.287 4.622 4.340 -0.008 0.000 0.282 808 L C 0.289 176.615 176.870 -0.907 0.000 1.092 808 L CA -0.279 54.204 54.840 -0.595 0.000 0.831 808 L CB 0.522 42.397 42.059 -0.307 0.000 1.159 808 L HN 0.675 nan 8.230 nan 0.000 0.442 809 Q N 2.688 122.170 119.800 -0.531 0.000 2.492 809 Q HA 0.021 4.356 4.340 -0.008 0.000 0.184 809 Q C 0.832 176.764 176.000 -0.113 0.000 1.126 809 Q CA -0.224 55.423 55.803 -0.260 0.000 1.196 809 Q CB 0.044 28.757 28.738 -0.043 0.000 1.240 809 Q HN 0.648 nan 8.270 nan 0.000 0.651 810 N N 1.177 119.894 118.700 0.028 0.000 2.651 810 N HA -0.193 4.542 4.740 -0.008 0.000 0.193 810 N C 0.831 176.364 175.510 0.039 0.000 1.149 810 N CA 1.068 54.171 53.050 0.088 0.000 0.933 810 N CB 0.010 38.594 38.487 0.161 0.000 0.974 810 N HN 0.623 nan 8.380 nan 0.000 0.448 811 E N -1.107 119.071 120.200 -0.036 0.000 4.484 811 E HA -0.279 4.066 4.350 -0.008 0.000 0.162 811 E C -0.263 176.230 176.600 -0.178 0.000 0.911 811 E CA 0.926 57.264 56.400 -0.103 0.000 2.591 811 E CB -1.645 28.011 29.700 -0.073 0.000 1.589 811 E HN 0.560 nan 8.360 nan 0.000 0.602 812 Y N 0.400 120.644 120.300 -0.094 0.000 2.612 812 Y HA 0.568 5.113 4.550 -0.009 0.000 0.250 812 Y C 0.684 176.438 175.900 -0.244 0.000 1.175 812 Y CA 0.197 58.184 58.100 -0.189 0.000 1.205 812 Y CB 1.145 39.417 38.460 -0.313 0.000 1.201 812 Y HN 0.247 nan 8.280 nan 0.000 0.532 813 A N 0.848 123.673 122.820 0.007 0.000 2.366 813 A HA 0.214 4.529 4.320 -0.008 0.000 0.272 813 A C 0.777 178.365 177.584 0.006 0.000 1.135 813 A CA -0.197 51.824 52.037 -0.027 0.000 0.804 813 A CB 0.468 19.480 19.000 0.020 0.000 1.064 813 A HN 0.453 nan 8.150 nan 0.000 0.499 814 L N 2.143 123.353 121.223 -0.021 0.000 2.249 814 L HA 0.022 4.357 4.340 -0.008 0.000 0.207 814 L C 1.123 178.019 176.870 0.044 0.000 1.090 814 L CA 1.926 56.773 54.840 0.012 0.000 0.802 814 L CB -0.973 41.056 42.059 -0.051 0.000 0.947 814 L HN 1.309 nan 8.230 nan 0.000 0.453 815 S N -0.137 115.583 115.700 0.033 0.000 3.232 815 S HA -0.173 4.292 4.470 -0.008 0.000 0.706 815 S C 0.179 174.822 174.600 0.073 0.000 0.765 815 S CA 0.447 58.686 58.200 0.065 0.000 1.402 815 S CB -1.632 61.625 63.200 0.095 0.000 1.062 815 S HN 0.318 nan 8.310 nan 0.000 0.744 816 L N 2.051 123.313 121.223 0.066 0.000 2.817 816 L HA 0.457 4.792 4.340 -0.008 0.000 0.248 816 L C 0.247 177.183 176.870 0.109 0.000 1.133 816 L CA 0.072 54.964 54.840 0.086 0.000 0.935 816 L CB 0.621 42.726 42.059 0.077 0.000 1.266 816 L HN 0.757 nan 8.230 nan 0.000 0.535 817 V N -3.838 116.139 119.914 0.106 0.000 2.971 817 V HA 0.694 4.809 4.120 -0.008 0.000 0.309 817 V C -0.707 175.466 176.094 0.131 0.000 1.130 817 V CA -0.632 61.740 62.300 0.120 0.000 0.964 817 V CB 1.843 33.735 31.823 0.116 0.000 1.029 817 V HN -0.003 nan 8.190 nan 0.000 0.427 818 S N 0.592 116.377 115.700 0.143 0.000 2.548 818 S HA 0.885 5.350 4.470 -0.008 0.000 0.286 818 S C -1.057 173.653 174.600 0.182 0.000 1.098 818 S CA -0.255 58.046 58.200 0.168 0.000 0.930 818 S CB 1.537 64.830 63.200 0.156 0.000 1.070 818 S HN 1.106 nan 8.310 nan 0.000 0.480 819 C N 2.862 122.300 119.300 0.230 0.000 3.006 819 C HA 0.634 5.089 4.460 -0.008 0.000 0.359 819 C C -1.297 173.792 174.990 0.164 0.000 1.103 819 C CA -1.122 57.998 59.018 0.170 0.000 1.286 819 C CB 1.394 29.199 27.740 0.108 0.000 1.694 819 C HN 0.981 nan 8.230 nan 0.000 0.511 820 K N 2.382 122.804 120.400 0.036 0.000 2.274 820 K HA 0.940 5.255 4.320 -0.008 0.000 0.262 820 K C -1.465 175.054 176.600 -0.135 0.000 0.961 820 K CA -0.223 55.967 56.287 -0.161 0.000 0.833 820 K CB 1.060 33.389 32.500 -0.284 0.000 1.102 820 K HN 0.552 nan 8.250 nan 0.000 0.436 821 L N 1.321 122.452 121.223 -0.153 0.000 2.510 821 L HA 0.854 5.189 4.340 -0.008 0.000 0.252 821 L C -0.553 176.258 176.870 -0.098 0.000 1.091 821 L CA -0.397 54.381 54.840 -0.102 0.000 0.888 821 L CB 2.759 44.768 42.059 -0.083 0.000 1.507 821 L HN 0.956 nan 8.230 nan 0.000 0.407 822 G N -0.448 108.309 108.800 -0.072 0.000 2.698 822 G HA2 0.573 4.528 3.960 -0.008 0.000 0.293 822 G HA3 0.573 4.528 3.960 -0.008 0.000 0.293 822 G C -0.998 173.885 174.900 -0.028 0.000 1.437 822 G CA -0.398 44.680 45.100 -0.037 0.000 0.852 822 G HN 0.416 nan 8.290 nan 0.000 0.499 823 K N -0.488 119.937 120.400 0.042 0.000 2.598 823 K HA 0.278 4.593 4.320 -0.008 0.000 0.214 823 K C -0.309 176.411 176.600 0.199 0.000 1.575 823 K CA 0.010 56.369 56.287 0.119 0.000 1.042 823 K CB 1.752 34.364 32.500 0.187 0.000 1.338 823 K HN 0.419 nan 8.250 nan 0.000 0.590 824 D N 0.082 120.632 120.400 0.251 0.000 2.151 824 D HA 0.093 4.728 4.640 -0.008 0.000 0.260 824 D C -1.349 175.050 176.300 0.164 0.000 1.358 824 D CA 0.234 54.347 54.000 0.188 0.000 1.309 824 D CB -0.158 40.754 40.800 0.188 0.000 2.149 824 D HN 0.018 nan 8.370 nan 0.000 0.379 825 P HA 0.197 nan 4.420 nan 0.000 0.199 825 P C -0.159 177.141 177.300 -0.000 0.000 1.059 825 P CA 0.580 63.781 63.100 0.169 0.000 0.723 825 P CB 0.139 32.041 31.700 0.335 0.000 0.680 826 N N -1.431 117.162 118.700 -0.179 0.000 2.725 826 N HA 0.382 5.117 4.740 -0.008 0.000 0.312 826 N C -0.926 174.227 175.510 -0.594 0.000 1.295 826 N CA -0.579 52.235 53.050 -0.394 0.000 0.914 826 N CB -0.583 37.630 38.487 -0.456 0.000 1.177 826 N HN -0.054 nan 8.380 nan 0.000 0.601 827 T N 0.405 114.639 114.554 -0.533 0.000 2.727 827 T HA 0.311 4.656 4.350 -0.008 0.000 0.298 827 T C -0.788 173.578 174.700 -0.556 0.000 0.942 827 T CA -0.111 61.711 62.100 -0.464 0.000 0.997 827 T CB -0.593 68.056 68.868 -0.364 0.000 0.917 827 T HN 0.222 nan 8.240 nan 0.000 0.487 828 Y N 1.152 121.290 120.300 -0.270 0.000 2.403 828 Y HA 0.541 5.086 4.550 -0.008 0.000 0.323 828 Y C 0.052 175.798 175.900 -0.256 0.000 1.226 828 Y CA -1.470 56.499 58.100 -0.218 0.000 1.235 828 Y CB 1.098 39.416 38.460 -0.236 0.000 1.248 828 Y HN 0.552 nan 8.280 nan 0.000 0.489 829 F N 2.650 122.724 119.950 0.207 0.000 2.361 829 F HA 0.466 4.988 4.527 -0.008 0.000 0.364 829 F C -0.540 175.399 175.800 0.232 0.000 1.117 829 F CA -0.561 57.542 58.000 0.172 0.000 1.071 829 F CB 0.595 39.683 39.000 0.147 0.000 1.188 829 F HN 0.149 nan 8.300 nan 0.000 0.464 830 I N 4.637 125.395 120.570 0.314 0.000 2.377 830 I HA 0.412 4.577 4.170 -0.008 0.000 0.293 830 I C -0.803 175.446 176.117 0.220 0.000 0.987 830 I CA -0.880 60.528 61.300 0.179 0.000 1.185 830 I CB 1.634 39.639 38.000 0.009 0.000 1.341 830 I HN 0.141 nan 8.210 nan 0.000 0.455 831 V N 4.900 124.957 119.914 0.238 0.000 2.409 831 V HA 0.523 4.638 4.120 -0.008 0.000 0.291 831 V C 0.482 176.666 176.094 0.150 0.000 1.020 831 V CA -0.558 61.885 62.300 0.239 0.000 0.848 831 V CB 1.690 33.745 31.823 0.386 0.000 0.990 831 V HN 0.903 nan 8.190 nan 0.000 0.430 832 G N 2.532 111.398 108.800 0.110 0.000 2.393 832 G HA2 0.422 4.377 3.960 -0.008 0.000 0.311 832 G HA3 0.422 4.377 3.960 -0.008 0.000 0.311 832 G C 0.004 174.940 174.900 0.059 0.000 1.067 832 G CA -0.055 45.084 45.100 0.066 0.000 1.000 832 G HN 0.567 nan 8.290 nan 0.000 0.422 833 T N 1.105 115.698 114.554 0.066 0.000 2.849 833 T HA 0.500 4.845 4.350 -0.008 0.000 0.284 833 T C 1.359 176.051 174.700 -0.013 0.000 1.004 833 T CA 0.468 62.602 62.100 0.056 0.000 1.021 833 T CB 1.266 70.196 68.868 0.105 0.000 1.013 833 T HN 0.572 nan 8.240 nan 0.000 0.527 834 A N 2.547 125.340 122.820 -0.045 0.000 1.982 834 A HA 0.531 4.846 4.320 -0.008 0.000 0.217 834 A C 0.513 178.014 177.584 -0.139 0.000 1.457 834 A CA 0.178 52.147 52.037 -0.113 0.000 0.654 834 A CB -0.015 18.918 19.000 -0.112 0.000 1.150 834 A HN 0.721 nan 8.150 nan 0.000 0.509 835 M N -0.652 118.835 119.600 -0.188 0.000 2.995 835 M HA -0.094 4.381 4.480 -0.008 0.000 0.191 835 M C -0.967 175.065 176.300 -0.447 0.000 1.069 835 M CA 0.025 55.111 55.300 -0.357 0.000 0.748 835 M CB -2.194 30.177 32.600 -0.382 0.000 1.622 835 M HN 0.129 nan 8.290 nan 0.000 0.747 836 V N 2.582 122.243 119.914 -0.421 0.000 2.406 836 V HA 0.324 4.439 4.120 -0.008 0.000 0.272 836 V C 0.030 175.707 176.094 -0.695 0.000 1.043 836 V CA -0.152 61.920 62.300 -0.381 0.000 0.915 836 V CB 1.035 32.725 31.823 -0.222 0.000 0.988 836 V HN 0.379 nan 8.190 nan 0.000 0.466 837 Y N 6.752 126.821 120.300 -0.384 0.000 2.330 837 Y HA 0.326 4.871 4.550 -0.009 0.000 0.336 837 Y C -0.994 174.684 175.900 -0.371 0.000 1.036 837 Y CA -2.070 55.697 58.100 -0.555 0.000 1.125 837 Y CB 1.021 39.181 38.460 -0.500 0.000 1.194 837 Y HN 0.469 nan 8.280 nan 0.000 0.469 838 P HA -0.382 nan 4.420 nan 0.000 0.229 838 P C 0.693 177.955 177.300 -0.065 0.000 1.073 838 P CA 3.093 66.142 63.100 -0.085 0.000 1.022 838 P CB 0.397 32.078 31.700 -0.033 0.000 0.752 839 E N -4.731 115.430 120.200 -0.065 0.000 1.267 839 E HA -0.055 4.290 4.350 -0.008 0.000 0.216 839 E C -0.709 175.841 176.600 -0.084 0.000 1.056 839 E CA 0.029 56.377 56.400 -0.085 0.000 1.112 839 E CB -0.783 28.828 29.700 -0.149 0.000 4.705 839 E HN 0.167 nan 8.360 nan 0.000 0.674 840 E N 0.274 120.431 120.200 -0.072 0.000 2.183 840 E HA 0.610 4.955 4.350 -0.008 0.000 0.271 840 E C 0.128 176.710 176.600 -0.030 0.000 0.919 840 E CA 0.431 56.801 56.400 -0.050 0.000 0.781 840 E CB 1.733 31.406 29.700 -0.045 0.000 1.140 840 E HN 0.315 nan 8.360 nan 0.000 0.402 841 A N 2.614 125.422 122.820 -0.020 0.000 1.897 841 A HA -0.042 4.273 4.320 -0.008 0.000 0.215 841 A C 0.762 178.349 177.584 0.005 0.000 1.181 841 A CA 0.980 53.011 52.037 -0.009 0.000 0.620 841 A CB -0.032 18.965 19.000 -0.006 0.000 0.821 841 A HN 0.509 nan 8.150 nan 0.000 0.443 842 E N 0.422 120.628 120.200 0.010 0.000 2.249 842 E HA 0.464 4.809 4.350 -0.008 0.000 0.280 842 E C -2.664 173.950 176.600 0.023 0.000 1.016 842 E CA -2.249 54.167 56.400 0.027 0.000 0.830 842 E CB 1.082 30.800 29.700 0.030 0.000 1.081 842 E HN 0.244 nan 8.360 nan 0.000 0.395 843 P HA 0.409 nan 4.420 nan 0.000 0.298 843 P C -1.151 176.160 177.300 0.017 0.000 1.314 843 P CA -0.672 62.432 63.100 0.007 0.000 0.854 843 P CB 1.156 32.835 31.700 -0.035 0.000 1.019 844 K N 1.711 122.130 120.400 0.033 0.000 3.320 844 K HA 0.251 4.566 4.320 -0.008 0.000 0.194 844 K C -0.415 176.232 176.600 0.078 0.000 1.085 844 K CA -0.061 56.256 56.287 0.050 0.000 0.901 844 K CB 0.737 33.267 32.500 0.049 0.000 0.765 844 K HN 0.413 nan 8.250 nan 0.000 0.480 845 Q N 0.237 120.079 119.800 0.069 0.000 3.782 845 Q HA 0.146 4.481 4.340 -0.008 0.000 0.173 845 Q C -0.393 175.676 176.000 0.115 0.000 0.841 845 Q CA -0.451 55.431 55.803 0.132 0.000 0.810 845 Q CB 1.466 30.257 28.738 0.088 0.000 1.481 845 Q HN 0.496 nan 8.270 nan 0.000 0.465 846 G N 1.238 110.125 108.800 0.146 0.000 2.553 846 G HA2 0.594 4.549 3.960 -0.008 0.000 0.278 846 G HA3 0.594 4.549 3.960 -0.008 0.000 0.278 846 G C -0.508 174.535 174.900 0.238 0.000 1.349 846 G CA -0.092 45.081 45.100 0.122 0.000 1.037 846 G HN 0.406 nan 8.290 nan 0.000 0.508 847 R N -1.361 119.232 120.500 0.155 0.000 2.808 847 R HA 0.244 4.579 4.340 -0.008 0.000 0.254 847 R C -1.746 174.593 176.300 0.065 0.000 1.145 847 R CA -0.537 55.653 56.100 0.150 0.000 1.066 847 R CB 0.861 31.314 30.300 0.254 0.000 1.268 847 R HN 0.419 nan 8.270 nan 0.000 0.447 848 I N 4.884 125.448 120.570 -0.009 0.000 2.355 848 I HA 0.392 4.557 4.170 -0.008 0.000 0.288 848 I C -0.515 175.550 176.117 -0.086 0.000 0.999 848 I CA -0.962 60.300 61.300 -0.064 0.000 1.163 848 I CB 1.940 39.826 38.000 -0.189 0.000 1.316 848 I HN 0.211 nan 8.210 nan 0.000 0.454 849 V N 7.192 127.064 119.914 -0.070 0.000 2.448 849 V HA 0.387 4.502 4.120 -0.008 0.000 0.295 849 V C -0.038 175.836 176.094 -0.367 0.000 1.025 849 V CA -0.768 61.394 62.300 -0.230 0.000 0.859 849 V CB 1.981 33.670 31.823 -0.225 0.000 0.988 849 V HN 0.378 nan 8.190 nan 0.000 0.431 850 V N 5.032 124.672 119.914 -0.457 0.000 2.439 850 V HA 0.558 4.673 4.120 -0.008 0.000 0.282 850 V C -0.484 175.327 176.094 -0.473 0.000 1.039 850 V CA -0.387 61.675 62.300 -0.396 0.000 0.913 850 V CB 0.916 32.452 31.823 -0.480 0.000 0.983 850 V HN 0.637 nan 8.190 nan 0.000 0.460 851 F N 1.916 121.914 119.950 0.081 0.000 2.579 851 F HA 0.636 5.158 4.527 -0.008 0.000 0.324 851 F C 0.233 176.206 175.800 0.288 0.000 1.058 851 F CA -0.631 57.449 58.000 0.133 0.000 0.944 851 F CB 1.941 40.996 39.000 0.092 0.000 1.245 851 F HN 0.306 nan 8.300 nan 0.000 0.477 852 Q N 2.327 122.381 119.800 0.424 0.000 2.292 852 Q HA 0.223 4.558 4.340 -0.008 0.000 0.270 852 Q C -2.051 174.071 176.000 0.204 0.000 1.024 852 Q CA -0.710 55.240 55.803 0.246 0.000 0.768 852 Q CB 2.396 31.237 28.738 0.171 0.000 1.250 852 Q HN 0.750 nan 8.270 nan 0.000 0.447 853 Y N 2.155 122.488 120.300 0.055 0.000 2.377 853 Y HA 0.631 5.176 4.550 -0.008 0.000 0.339 853 Y C -1.039 174.851 175.900 -0.018 0.000 1.011 853 Y CA -0.288 57.828 58.100 0.025 0.000 1.093 853 Y CB 1.384 39.926 38.460 0.137 0.000 1.201 853 Y HN 0.574 nan 8.280 nan 0.000 0.455 854 S N 2.471 117.607 115.700 -0.940 0.000 2.556 854 S HA 0.305 4.770 4.470 -0.008 0.000 0.280 854 S C -1.312 172.850 174.600 -0.730 0.000 1.141 854 S CA -0.889 56.788 58.200 -0.872 0.000 0.883 854 S CB 1.425 64.407 63.200 -0.364 0.000 1.103 854 S HN 0.755 nan 8.310 nan 0.000 0.453 855 D N 0.994 121.084 120.400 -0.517 0.000 2.708 855 D HA -0.017 4.618 4.640 -0.008 0.000 0.236 855 D C 1.305 177.539 176.300 -0.110 0.000 1.146 855 D CA 2.362 56.240 54.000 -0.203 0.000 0.662 855 D CB -1.489 39.239 40.800 -0.119 0.000 1.059 855 D HN 1.833 nan 8.370 nan 0.000 0.428 856 G N -1.745 107.029 108.800 -0.043 0.000 2.228 856 G HA2 -0.285 3.670 3.960 -0.008 0.000 0.270 856 G HA3 -0.285 3.670 3.960 -0.008 0.000 0.270 856 G C 0.571 175.602 174.900 0.218 0.000 0.976 856 G CA 1.115 46.387 45.100 0.286 0.000 0.636 856 G HN 1.057 nan 8.290 nan 0.000 0.542 857 K N 0.617 120.998 120.400 -0.031 0.000 2.276 857 K HA 0.764 5.079 4.320 -0.008 0.000 0.285 857 K C -0.121 176.395 176.600 -0.140 0.000 1.062 857 K CA -0.232 56.022 56.287 -0.055 0.000 0.918 857 K CB 1.255 33.722 32.500 -0.055 0.000 1.055 857 K HN 0.874 nan 8.250 nan 0.000 0.477 858 L N 3.256 124.304 121.223 -0.292 0.000 2.319 858 L HA 0.413 4.748 4.340 -0.008 0.000 0.281 858 L C -0.693 176.113 176.870 -0.107 0.000 1.005 858 L CA -0.380 54.292 54.840 -0.280 0.000 0.828 858 L CB 1.612 43.168 42.059 -0.839 0.000 1.227 858 L HN 0.985 nan 8.230 nan 0.000 0.415 859 Q N 3.261 123.097 119.800 0.060 0.000 2.333 859 Q HA 0.318 4.653 4.340 -0.008 0.000 0.265 859 Q C -0.868 175.242 176.000 0.184 0.000 0.989 859 Q CA -0.557 55.309 55.803 0.105 0.000 0.842 859 Q CB 1.527 30.314 28.738 0.081 0.000 1.262 859 Q HN 0.671 nan 8.270 nan 0.000 0.451 860 T N 4.102 118.728 114.554 0.121 0.000 2.759 860 T HA 0.035 4.380 4.350 -0.008 0.000 0.273 860 T C 1.176 175.835 174.700 -0.068 0.000 0.938 860 T CA -0.223 61.831 62.100 -0.077 0.000 1.197 860 T CB 0.299 69.155 68.868 -0.020 0.000 0.887 860 T HN 0.441 nan 8.240 nan 0.000 0.540 861 V N 2.578 122.434 119.914 -0.096 0.000 2.251 861 V HA 0.206 4.321 4.120 -0.008 0.000 0.237 861 V C 1.435 177.522 176.094 -0.011 0.000 1.040 861 V CA 1.471 63.780 62.300 0.015 0.000 1.005 861 V CB -0.609 31.274 31.823 0.100 0.000 0.645 861 V HN 0.923 nan 8.190 nan 0.000 0.458 862 A N -0.855 121.940 122.820 -0.042 0.000 2.468 862 A HA 0.819 5.134 4.320 -0.008 0.000 0.270 862 A C -0.527 177.002 177.584 -0.092 0.000 1.217 862 A CA -0.403 51.632 52.037 -0.002 0.000 0.908 862 A CB 1.866 20.985 19.000 0.199 0.000 1.423 862 A HN 0.443 nan 8.150 nan 0.000 0.459 863 E N -1.501 118.667 120.200 -0.053 0.000 2.401 863 E HA 0.497 4.842 4.350 -0.008 0.000 0.283 863 E C -1.919 174.649 176.600 -0.053 0.000 1.053 863 E CA -0.483 55.871 56.400 -0.076 0.000 0.842 863 E CB 1.517 31.178 29.700 -0.065 0.000 1.222 863 E HN 0.507 nan 8.360 nan 0.000 0.429 864 K N 2.103 122.462 120.400 -0.068 0.000 2.581 864 K HA 0.252 4.567 4.320 -0.008 0.000 0.249 864 K C -1.666 174.925 176.600 -0.015 0.000 0.966 864 K CA -0.531 55.730 56.287 -0.043 0.000 0.811 864 K CB 1.720 34.169 32.500 -0.084 0.000 1.223 864 K HN 0.435 nan 8.250 nan 0.000 0.438 865 E N 3.439 123.639 120.200 -0.001 0.000 2.316 865 E HA 0.271 4.616 4.350 -0.008 0.000 0.275 865 E C -0.760 175.902 176.600 0.105 0.000 1.029 865 E CA -0.582 55.835 56.400 0.029 0.000 0.871 865 E CB 0.750 30.408 29.700 -0.070 0.000 1.022 865 E HN 0.362 nan 8.360 nan 0.000 0.418 866 V N 4.130 124.133 119.914 0.149 0.000 3.093 866 V HA 0.229 4.344 4.120 -0.008 0.000 0.320 866 V C 0.448 176.643 176.094 0.168 0.000 1.093 866 V CA -0.739 61.661 62.300 0.166 0.000 1.016 866 V CB 1.753 33.672 31.823 0.162 0.000 1.096 866 V HN 0.772 nan 8.190 nan 0.000 0.452 867 K N 0.479 120.965 120.400 0.143 0.000 2.493 867 K HA 0.554 4.869 4.320 -0.008 0.000 0.207 867 K C 0.481 177.141 176.600 0.101 0.000 1.033 867 K CA 0.237 56.602 56.287 0.130 0.000 1.161 867 K CB 0.580 33.148 32.500 0.114 0.000 0.873 867 K HN 0.774 nan 8.250 nan 0.000 0.491 868 G N 0.880 109.729 108.800 0.081 0.000 3.198 868 G HA2 0.590 4.545 3.960 -0.008 0.000 0.166 868 G HA3 0.590 4.545 3.960 -0.008 0.000 0.166 868 G C -1.518 173.356 174.900 -0.043 0.000 1.134 868 G CA -0.327 44.790 45.100 0.030 0.000 0.941 868 G HN 0.163 nan 8.290 nan 0.000 0.639 869 A N 0.194 122.921 122.820 -0.155 0.000 2.651 869 A HA 0.571 4.886 4.320 -0.008 0.000 0.290 869 A C -0.440 176.839 177.584 -0.508 0.000 1.185 869 A CA -0.380 51.444 52.037 -0.356 0.000 0.746 869 A CB 1.067 19.752 19.000 -0.526 0.000 1.213 869 A HN 1.232 nan 8.150 nan 0.000 0.429 870 V N 3.879 123.650 119.914 -0.238 0.000 2.456 870 V HA -0.113 4.002 4.120 -0.008 0.000 0.247 870 V C 1.016 177.036 176.094 -0.124 0.000 1.056 870 V CA 0.882 63.111 62.300 -0.119 0.000 1.203 870 V CB -2.026 29.787 31.823 -0.016 0.000 1.185 870 V HN 0.893 nan 8.190 nan 0.000 0.477 871 Y N 2.483 122.792 120.300 0.015 0.000 2.263 871 Y HA -0.048 4.497 4.550 -0.008 0.000 0.292 871 Y C 1.597 177.497 175.900 0.001 0.000 1.130 871 Y CA 1.013 59.102 58.100 -0.017 0.000 1.179 871 Y CB 0.398 38.810 38.460 -0.080 0.000 0.998 871 Y HN 0.764 nan 8.280 nan 0.000 0.532 872 S N -1.040 114.759 115.700 0.166 0.000 2.625 872 S HA 0.719 5.184 4.470 -0.008 0.000 0.271 872 S C -1.078 173.590 174.600 0.113 0.000 1.161 872 S CA -1.051 57.229 58.200 0.135 0.000 0.820 872 S CB 2.253 65.539 63.200 0.142 0.000 1.137 872 S HN 0.052 nan 8.310 nan 0.000 0.470 873 M N 1.100 120.768 119.600 0.113 0.000 2.531 873 M HA 0.683 5.158 4.480 -0.008 0.000 0.286 873 M C -1.744 174.622 176.300 0.110 0.000 1.232 873 M CA -0.709 54.653 55.300 0.105 0.000 0.877 873 M CB 2.581 35.236 32.600 0.091 0.000 1.726 873 M HN 0.568 nan 8.290 nan 0.000 0.463 874 V N 0.433 120.414 119.914 0.111 0.000 2.888 874 V HA 0.336 4.451 4.120 -0.008 0.000 0.309 874 V C -0.519 175.662 176.094 0.146 0.000 1.114 874 V CA -0.807 61.568 62.300 0.125 0.000 0.940 874 V CB 2.171 34.070 31.823 0.127 0.000 1.021 874 V HN 0.789 nan 8.190 nan 0.000 0.426 875 E N 3.104 123.379 120.200 0.125 0.000 2.328 875 E HA 0.089 4.434 4.350 -0.008 0.000 0.265 875 E C -1.679 175.040 176.600 0.199 0.000 1.057 875 E CA 0.076 56.543 56.400 0.112 0.000 0.916 875 E CB 0.512 30.243 29.700 0.053 0.000 0.993 875 E HN 0.483 nan 8.360 nan 0.000 0.446 876 F N 5.217 125.169 119.950 0.004 0.000 2.610 876 F HA 0.248 4.770 4.527 -0.008 0.000 0.355 876 F C 0.178 175.945 175.800 -0.057 0.000 1.140 876 F CA -0.963 57.032 58.000 -0.007 0.000 1.037 876 F CB 0.121 39.136 39.000 0.025 0.000 1.287 876 F HN 0.604 nan 8.300 nan 0.000 0.457 877 N N 3.768 122.179 118.700 -0.481 0.000 2.678 877 N HA -0.220 4.515 4.740 -0.008 0.000 0.249 877 N C 0.998 176.342 175.510 -0.277 0.000 1.119 877 N CA 1.296 54.058 53.050 -0.480 0.000 0.718 877 N CB -0.999 37.013 38.487 -0.792 0.000 1.060 877 N HN 1.232 nan 8.380 nan 0.000 0.552 878 G N -3.322 105.389 108.800 -0.149 0.000 2.232 878 G HA2 -0.161 3.794 3.960 -0.008 0.000 0.226 878 G HA3 -0.161 3.794 3.960 -0.008 0.000 0.226 878 G C 0.211 175.102 174.900 -0.015 0.000 0.996 878 G CA 0.712 45.769 45.100 -0.070 0.000 0.626 878 G HN 0.806 nan 8.290 nan 0.000 0.509 879 K N -0.252 120.144 120.400 -0.006 0.000 2.132 879 K HA 0.929 5.244 4.320 -0.008 0.000 0.241 879 K C -0.149 176.537 176.600 0.143 0.000 1.000 879 K CA -0.192 56.149 56.287 0.090 0.000 0.911 879 K CB 1.181 33.744 32.500 0.106 0.000 1.093 879 K HN 1.258 nan 8.250 nan 0.000 0.460 880 L N 1.862 123.184 121.223 0.165 0.000 2.321 880 L HA 0.421 4.756 4.340 -0.008 0.000 0.272 880 L C -0.563 176.445 176.870 0.231 0.000 1.050 880 L CA -0.836 54.095 54.840 0.151 0.000 0.893 880 L CB 0.662 42.754 42.059 0.055 0.000 1.272 880 L HN 0.664 nan 8.230 nan 0.000 0.435 881 L N 5.019 126.376 121.223 0.224 0.000 2.416 881 L HA 0.711 5.046 4.340 -0.008 0.000 0.272 881 L C -0.178 176.789 176.870 0.161 0.000 1.161 881 L CA 0.476 55.431 54.840 0.190 0.000 0.845 881 L CB 0.836 42.925 42.059 0.050 0.000 1.119 881 L HN 0.740 nan 8.230 nan 0.000 0.464 882 A N 3.403 126.335 122.820 0.187 0.000 2.408 882 A HA 0.618 4.933 4.320 -0.008 0.000 0.295 882 A C -0.514 177.141 177.584 0.119 0.000 1.040 882 A CA -0.174 51.961 52.037 0.165 0.000 0.707 882 A CB 1.171 20.307 19.000 0.227 0.000 1.235 882 A HN 0.850 nan 8.150 nan 0.000 0.418 883 S N 2.145 117.899 115.700 0.089 0.000 2.499 883 S HA 0.564 5.029 4.470 -0.008 0.000 0.275 883 S C 0.510 175.173 174.600 0.106 0.000 1.257 883 S CA -0.362 57.888 58.200 0.083 0.000 1.050 883 S CB 0.411 63.664 63.200 0.089 0.000 0.937 883 S HN 0.507 nan 8.310 nan 0.000 0.490 884 I N 2.291 122.917 120.570 0.094 0.000 2.962 884 I HA 0.171 4.336 4.170 -0.008 0.000 0.246 884 I C 1.695 177.850 176.117 0.064 0.000 1.091 884 I CA 0.159 61.499 61.300 0.067 0.000 1.469 884 I CB -0.012 38.043 38.000 0.092 0.000 1.324 884 I HN 0.602 nan 8.210 nan 0.000 0.461 885 N N -0.666 118.101 118.700 0.113 0.000 2.517 885 N HA 0.076 4.811 4.740 -0.008 0.000 0.121 885 N C 1.493 177.095 175.510 0.153 0.000 1.776 885 N CA 0.903 54.059 53.050 0.177 0.000 1.255 885 N CB -0.310 38.255 38.487 0.129 0.000 0.954 885 N HN 0.014 nan 8.380 nan 0.000 0.414 886 S N 0.491 116.259 115.700 0.114 0.000 2.419 886 S HA -0.069 4.396 4.470 -0.008 0.000 0.233 886 S C 1.101 175.739 174.600 0.064 0.000 1.016 886 S CA 1.074 59.326 58.200 0.087 0.000 0.974 886 S CB -0.982 62.270 63.200 0.087 0.000 0.786 886 S HN 0.620 nan 8.310 nan 0.000 0.492 887 T N 0.067 114.652 114.554 0.052 0.000 2.909 887 T HA 0.638 4.983 4.350 -0.008 0.000 0.286 887 T C -0.501 174.165 174.700 -0.056 0.000 1.002 887 T CA -0.843 61.229 62.100 -0.046 0.000 1.074 887 T CB 1.620 70.453 68.868 -0.059 0.000 0.984 887 T HN -0.007 nan 8.240 nan 0.000 0.495 888 V N 3.106 122.940 119.914 -0.134 0.000 2.326 888 V HA 0.492 4.607 4.120 -0.008 0.000 0.281 888 V C 0.351 176.361 176.094 -0.140 0.000 1.015 888 V CA -0.849 61.365 62.300 -0.142 0.000 0.823 888 V CB 0.907 32.577 31.823 -0.255 0.000 1.009 888 V HN 0.890 nan 8.190 nan 0.000 0.436 889 R N 3.248 123.737 120.500 -0.020 0.000 2.598 889 R HA 0.496 4.831 4.340 -0.008 0.000 0.279 889 R C 0.555 176.959 176.300 0.174 0.000 0.984 889 R CA -0.661 55.445 56.100 0.010 0.000 0.999 889 R CB 1.315 31.520 30.300 -0.158 0.000 1.114 889 R HN 0.604 nan 8.270 nan 0.000 0.493 890 L N 2.590 123.924 121.223 0.184 0.000 2.286 890 L HA 0.204 4.539 4.340 -0.008 0.000 0.203 890 L C -0.515 176.512 176.870 0.261 0.000 1.068 890 L CA 0.905 55.916 54.840 0.286 0.000 0.811 890 L CB -0.153 42.042 42.059 0.226 0.000 0.989 890 L HN 0.752 nan 8.230 nan 0.000 0.467 891 Y N 1.171 121.563 120.300 0.153 0.000 2.552 891 Y HA -0.297 4.248 4.550 -0.008 0.000 0.031 891 Y C 0.406 176.385 175.900 0.132 0.000 1.743 891 Y CA 0.702 58.879 58.100 0.129 0.000 1.386 891 Y CB -0.340 38.189 38.460 0.116 0.000 2.033 891 Y HN 0.353 nan 8.280 nan 0.000 0.261 892 E N 2.811 123.202 120.200 0.319 0.000 2.336 892 E HA 0.402 4.747 4.350 -0.008 0.000 0.267 892 E C -1.485 175.297 176.600 0.302 0.000 0.906 892 E CA -1.012 55.535 56.400 0.246 0.000 0.781 892 E CB 1.472 31.265 29.700 0.155 0.000 1.261 892 E HN 0.483 nan 8.360 nan 0.000 0.436 893 W N 4.206 125.524 121.300 0.031 0.000 2.463 893 W HA 0.344 4.999 4.660 -0.008 0.000 0.316 893 W C -1.430 175.086 176.519 -0.004 0.000 1.004 893 W CA -0.369 56.973 57.345 -0.005 0.000 1.309 893 W CB 1.266 30.709 29.460 -0.030 0.000 1.288 893 W HN 0.492 nan 8.180 nan 0.000 0.423 894 T N 1.959 116.354 114.554 -0.265 0.000 2.937 894 T HA 0.356 4.701 4.350 -0.008 0.000 0.283 894 T C 0.456 174.900 174.700 -0.426 0.000 1.012 894 T CA -0.506 61.447 62.100 -0.244 0.000 0.997 894 T CB 1.383 70.171 68.868 -0.133 0.000 1.136 894 T HN 0.284 nan 8.240 nan 0.000 0.551 895 T N 1.408 115.808 114.554 -0.257 0.000 2.906 895 T HA 0.154 4.499 4.350 -0.008 0.000 0.329 895 T C 0.531 175.072 174.700 -0.265 0.000 1.091 895 T CA 0.000 61.961 62.100 -0.231 0.000 1.127 895 T CB -0.104 68.689 68.868 -0.125 0.000 1.035 895 T HN 0.843 nan 8.240 nan 0.000 0.547 896 E N -0.584 119.473 120.200 -0.238 0.000 4.028 896 E HA -0.192 4.153 4.350 -0.008 0.000 0.343 896 E C 0.089 176.473 176.600 -0.360 0.000 0.700 896 E CA 1.063 57.327 56.400 -0.227 0.000 1.288 896 E CB -1.762 27.834 29.700 -0.173 0.000 1.677 896 E HN 0.873 nan 8.360 nan 0.000 0.424 897 K N 0.539 120.562 120.400 -0.628 0.000 3.451 897 K HA -0.211 4.104 4.320 -0.008 0.000 0.273 897 K C -0.935 175.010 176.600 -1.092 0.000 0.944 897 K CA 1.305 56.885 56.287 -1.177 0.000 0.734 897 K CB -0.927 31.290 32.500 -0.472 0.000 1.437 897 K HN 0.266 nan 8.250 nan 0.000 0.454 898 D N 0.098 119.945 120.400 -0.922 0.000 2.575 898 D HA 0.250 4.885 4.640 -0.008 0.000 0.236 898 D C -0.748 175.469 176.300 -0.138 0.000 1.075 898 D CA -0.584 53.188 54.000 -0.380 0.000 0.860 898 D CB 2.349 43.036 40.800 -0.187 0.000 1.475 898 D HN -0.015 nan 8.370 nan 0.000 0.474 899 V N 2.715 122.738 119.914 0.181 0.000 2.368 899 V HA 0.269 4.384 4.120 -0.008 0.000 0.266 899 V C -0.162 176.076 176.094 0.240 0.000 1.045 899 V CA -0.174 62.297 62.300 0.286 0.000 0.899 899 V CB 0.577 32.505 31.823 0.176 0.000 1.006 899 V HN 0.423 nan 8.190 nan 0.000 0.470 900 R N 4.437 125.105 120.500 0.281 0.000 2.494 900 R HA 0.435 4.770 4.340 -0.008 0.000 0.305 900 R C -0.536 175.910 176.300 0.244 0.000 0.959 900 R CA -0.452 55.783 56.100 0.224 0.000 0.864 900 R CB 1.643 32.002 30.300 0.099 0.000 1.159 900 R HN 0.681 nan 8.270 nan 0.000 0.446 901 T N 3.199 117.843 114.554 0.152 0.000 2.771 901 T HA 0.035 4.380 4.350 -0.008 0.000 0.277 901 T C 0.382 175.052 174.700 -0.051 0.000 0.919 901 T CA 0.010 62.067 62.100 -0.072 0.000 1.163 901 T CB 0.416 69.233 68.868 -0.086 0.000 0.876 901 T HN 0.549 nan 8.240 nan 0.000 0.545 902 E N 1.230 121.401 120.200 -0.048 0.000 3.601 902 E HA 0.261 4.606 4.350 -0.008 0.000 0.273 902 E C 0.944 177.521 176.600 -0.038 0.000 1.368 902 E CA -0.939 55.458 56.400 -0.006 0.000 1.286 902 E CB 0.579 30.311 29.700 0.054 0.000 1.383 902 E HN 0.856 nan 8.360 nan 0.000 0.746 903 C N 0.116 119.392 119.300 -0.039 0.000 2.775 903 C HA 0.284 4.739 4.460 -0.008 0.000 0.391 903 C C 0.136 175.178 174.990 0.087 0.000 1.295 903 C CA -0.727 58.257 59.018 -0.057 0.000 2.119 903 C CB -0.854 26.748 27.740 -0.229 0.000 2.705 903 C HN 0.550 nan 8.230 nan 0.000 0.710 904 N N -0.558 118.252 118.700 0.183 0.000 2.312 904 N HA 0.520 5.255 4.740 -0.008 0.000 0.296 904 N C -1.133 174.530 175.510 0.255 0.000 1.193 904 N CA -0.526 52.610 53.050 0.144 0.000 0.773 904 N CB 1.157 39.433 38.487 -0.353 0.000 1.435 904 N HN 0.931 nan 8.380 nan 0.000 0.484 905 H N 1.091 120.016 119.070 -0.243 0.000 2.589 905 H HA 0.248 4.799 4.556 -0.008 0.000 0.351 905 H C -0.706 174.398 175.328 -0.374 0.000 1.074 905 H CA -0.212 55.675 56.048 -0.269 0.000 1.203 905 H CB 0.881 30.378 29.762 -0.441 0.000 1.558 905 H HN 0.739 nan 8.280 nan 0.000 0.522 906 Y N 2.397 122.346 120.300 -0.584 0.000 2.483 906 Y HA 0.040 4.585 4.550 -0.008 0.000 0.258 906 Y C 1.160 176.850 175.900 -0.350 0.000 1.083 906 Y CA -0.201 57.705 58.100 -0.323 0.000 1.283 906 Y CB 0.648 38.998 38.460 -0.184 0.000 1.178 906 Y HN 0.458 nan 8.280 nan 0.000 0.515 907 N N 2.351 120.753 118.700 -0.497 0.000 3.050 907 N HA 0.073 4.808 4.740 -0.008 0.000 0.289 907 N C -1.438 174.076 175.510 0.007 0.000 1.209 907 N CA 0.137 53.081 53.050 -0.176 0.000 1.154 907 N CB -0.703 37.710 38.487 -0.123 0.000 1.444 907 N HN 0.248 nan 8.380 nan 0.000 0.529 908 N N 0.986 119.702 118.700 0.027 0.000 2.610 908 N HA 0.321 5.056 4.740 -0.008 0.000 0.264 908 N C 0.668 176.206 175.510 0.047 0.000 1.348 908 N CA -0.490 52.597 53.050 0.061 0.000 0.819 908 N CB 1.441 39.976 38.487 0.081 0.000 1.521 908 N HN 0.008 nan 8.380 nan 0.000 0.497 909 I N -0.027 120.569 120.570 0.044 0.000 2.685 909 I HA 0.090 4.255 4.170 -0.008 0.000 0.251 909 I C 1.671 177.813 176.117 0.042 0.000 1.102 909 I CA 0.699 62.026 61.300 0.044 0.000 1.442 909 I CB 0.087 38.112 38.000 0.043 0.000 1.194 909 I HN 0.367 nan 8.210 nan 0.000 0.448 910 M N 0.188 119.799 119.600 0.018 0.000 2.962 910 M HA 0.300 4.775 4.480 -0.008 0.000 0.242 910 M C 1.018 177.283 176.300 -0.058 0.000 1.396 910 M CA 0.936 56.210 55.300 -0.043 0.000 1.287 910 M CB -0.186 32.347 32.600 -0.112 0.000 1.168 910 M HN 0.205 nan 8.290 nan 0.000 0.557 911 A N 1.464 124.248 122.820 -0.060 0.000 2.815 911 A HA -0.164 4.151 4.320 -0.008 0.000 0.292 911 A C 0.755 178.262 177.584 -0.129 0.000 1.457 911 A CA 0.286 52.298 52.037 -0.043 0.000 0.735 911 A CB -2.177 16.838 19.000 0.026 0.000 1.056 911 A HN 0.396 nan 8.150 nan 0.000 0.474 912 L N -1.245 119.745 121.223 -0.388 0.000 2.270 912 L HA 0.243 4.578 4.340 -0.008 0.000 0.210 912 L C 0.662 177.113 176.870 -0.698 0.000 1.104 912 L CA 1.799 56.183 54.840 -0.760 0.000 0.804 912 L CB -0.079 41.172 42.059 -1.347 0.000 0.937 912 L HN 0.637 nan 8.230 nan 0.000 0.450 913 Y N -1.053 119.265 120.300 0.030 0.000 2.425 913 Y HA 0.630 5.175 4.550 -0.008 0.000 0.344 913 Y C -0.482 175.442 175.900 0.040 0.000 0.969 913 Y CA -1.048 57.083 58.100 0.052 0.000 1.052 913 Y CB 1.216 39.709 38.460 0.055 0.000 1.215 913 Y HN -0.310 nan 8.280 nan 0.000 0.451 914 L N 3.111 124.450 121.223 0.195 0.000 2.381 914 L HA 0.698 5.033 4.340 -0.008 0.000 0.268 914 L C -0.906 176.039 176.870 0.126 0.000 0.997 914 L CA -0.965 53.939 54.840 0.107 0.000 0.818 914 L CB 2.524 44.618 42.059 0.059 0.000 1.310 914 L HN 0.574 nan 8.230 nan 0.000 0.416 915 K N 1.040 121.497 120.400 0.095 0.000 2.588 915 K HA 0.424 4.739 4.320 -0.008 0.000 0.250 915 K C -0.881 175.791 176.600 0.119 0.000 0.972 915 K CA -0.424 55.940 56.287 0.128 0.000 0.821 915 K CB 2.176 34.772 32.500 0.160 0.000 1.249 915 K HN 0.695 nan 8.250 nan 0.000 0.442 916 T N -0.175 114.464 114.554 0.142 0.000 2.925 916 T HA 0.553 4.897 4.350 -0.008 0.000 0.285 916 T C -0.719 174.117 174.700 0.227 0.000 1.021 916 T CA -0.808 61.404 62.100 0.187 0.000 1.042 916 T CB 1.510 70.528 68.868 0.249 0.000 1.037 916 T HN 0.405 nan 8.240 nan 0.000 0.481 917 K N 1.331 121.900 120.400 0.282 0.000 2.652 917 K HA 0.486 4.801 4.320 -0.008 0.000 0.249 917 K C 0.779 177.512 176.600 0.222 0.000 0.986 917 K CA 0.126 56.545 56.287 0.219 0.000 0.867 917 K CB 0.828 33.455 32.500 0.212 0.000 1.201 917 K HN 1.182 nan 8.250 nan 0.000 0.450 918 G N 4.310 113.185 108.800 0.126 0.000 2.602 918 G HA2 -0.342 3.613 3.960 -0.008 0.000 0.310 918 G HA3 -0.342 3.613 3.960 -0.008 0.000 0.310 918 G C 0.280 175.243 174.900 0.106 0.000 1.183 918 G CA 0.692 45.808 45.100 0.026 0.000 0.979 918 G HN 0.700 nan 8.290 nan 0.000 0.545 919 D N 0.583 120.999 120.400 0.026 0.000 2.349 919 D HA 0.334 4.969 4.640 -0.008 0.000 0.214 919 D C 0.552 177.078 176.300 0.376 0.000 1.063 919 D CA 0.034 54.168 54.000 0.224 0.000 0.847 919 D CB 0.014 40.837 40.800 0.038 0.000 0.933 919 D HN 0.112 nan 8.370 nan 0.000 0.513 920 F N 0.641 120.775 119.950 0.306 0.000 2.384 920 F HA 0.422 4.944 4.527 -0.008 0.000 0.338 920 F C 0.629 176.506 175.800 0.128 0.000 1.103 920 F CA -1.057 57.063 58.000 0.201 0.000 1.157 920 F CB 0.726 39.837 39.000 0.185 0.000 1.167 920 F HN -0.294 nan 8.300 nan 0.000 0.529 921 I N 4.174 124.882 120.570 0.229 0.000 2.468 921 I HA 0.233 4.398 4.170 -0.008 0.000 0.285 921 I C -0.947 175.114 176.117 -0.094 0.000 1.039 921 I CA -0.318 60.980 61.300 -0.003 0.000 1.074 921 I CB 1.721 39.624 38.000 -0.160 0.000 1.228 921 I HN 0.320 nan 8.210 nan 0.000 0.436 922 L N 7.141 128.323 121.223 -0.068 0.000 2.326 922 L HA 0.582 4.917 4.340 -0.008 0.000 0.278 922 L C -0.887 175.931 176.870 -0.088 0.000 1.092 922 L CA -0.541 54.216 54.840 -0.139 0.000 0.810 922 L CB 1.489 43.520 42.059 -0.046 0.000 1.153 922 L HN 0.306 nan 8.230 nan 0.000 0.439 923 V N 3.455 123.304 119.914 -0.108 0.000 2.482 923 V HA 0.375 4.490 4.120 -0.008 0.000 0.295 923 V C 0.443 176.554 176.094 0.028 0.000 1.026 923 V CA -0.652 61.621 62.300 -0.045 0.000 0.856 923 V CB 1.587 33.344 31.823 -0.110 0.000 1.001 923 V HN 0.881 nan 8.190 nan 0.000 0.424 924 G N 2.235 111.123 108.800 0.147 0.000 2.391 924 G HA2 0.398 4.353 3.960 -0.008 0.000 0.305 924 G HA3 0.398 4.353 3.960 -0.008 0.000 0.305 924 G C -0.571 174.448 174.900 0.198 0.000 1.072 924 G CA -0.099 45.160 45.100 0.264 0.000 1.016 924 G HN 0.645 nan 8.290 nan 0.000 0.418 925 D N 2.933 123.405 120.400 0.121 0.000 2.359 925 D HA 0.091 4.726 4.640 -0.008 0.000 0.230 925 D C 1.402 177.762 176.300 0.100 0.000 1.118 925 D CA -0.775 53.265 54.000 0.067 0.000 0.844 925 D CB 1.550 42.378 40.800 0.047 0.000 1.059 925 D HN 0.119 nan 8.370 nan 0.000 0.493 926 L N 4.193 125.468 121.223 0.086 0.000 2.079 926 L HA 0.000 4.335 4.340 -0.008 0.000 0.210 926 L C 1.298 178.315 176.870 0.244 0.000 1.081 926 L CA 1.691 56.642 54.840 0.185 0.000 0.752 926 L CB -0.288 41.829 42.059 0.097 0.000 0.896 926 L HN 0.556 nan 8.230 nan 0.000 0.433 927 M N 0.986 120.679 119.600 0.155 0.000 3.443 927 M HA 0.285 4.760 4.480 -0.008 0.000 0.228 927 M C -0.631 175.687 176.300 0.031 0.000 1.227 927 M CA -0.013 55.386 55.300 0.165 0.000 1.321 927 M CB -0.238 32.454 32.600 0.154 0.000 1.134 927 M HN 0.256 nan 8.290 nan 0.000 0.567 928 R N -1.747 118.729 120.500 -0.039 0.000 7.717 928 R HA 0.033 4.368 4.340 -0.008 0.000 0.243 928 R C -0.745 175.527 176.300 -0.046 0.000 0.849 928 R CA -0.073 55.974 56.100 -0.089 0.000 1.889 928 R CB -0.914 29.356 30.300 -0.050 0.000 1.146 928 R HN 0.287 nan 8.270 nan 0.000 0.933 929 S N 2.044 117.695 115.700 -0.083 0.000 2.688 929 S HA 0.308 4.773 4.470 -0.008 0.000 0.248 929 S C 1.229 175.844 174.600 0.025 0.000 1.361 929 S CA -0.182 57.988 58.200 -0.049 0.000 0.979 929 S CB -0.055 63.047 63.200 -0.162 0.000 0.947 929 S HN 1.362 nan 8.310 nan 0.000 0.545 930 V N -0.635 119.314 119.914 0.058 0.000 3.185 930 V HA 0.712 4.827 4.120 -0.008 0.000 0.305 930 V C -0.199 175.867 176.094 -0.046 0.000 1.090 930 V CA -0.621 61.702 62.300 0.039 0.000 1.107 930 V CB -0.075 31.794 31.823 0.078 0.000 1.061 930 V HN 1.137 nan 8.190 nan 0.000 0.480 931 L N 1.540 122.693 121.223 -0.116 0.000 2.465 931 L HA 0.859 5.194 4.340 -0.008 0.000 0.257 931 L C -1.229 175.465 176.870 -0.293 0.000 0.988 931 L CA -0.916 53.820 54.840 -0.172 0.000 0.827 931 L CB 1.883 43.882 42.059 -0.099 0.000 1.397 931 L HN 0.740 nan 8.230 nan 0.000 0.410 932 L N 2.452 123.476 121.223 -0.332 0.000 2.313 932 L HA 0.749 5.084 4.340 -0.008 0.000 0.283 932 L C -1.255 175.466 176.870 -0.248 0.000 1.013 932 L CA -0.211 54.395 54.840 -0.391 0.000 0.816 932 L CB 1.419 43.149 42.059 -0.548 0.000 1.236 932 L HN 0.712 nan 8.230 nan 0.000 0.419 933 L N 4.263 125.371 121.223 -0.192 0.000 2.333 933 L HA 0.893 5.228 4.340 -0.008 0.000 0.269 933 L C -0.376 176.585 176.870 0.152 0.000 1.010 933 L CA -0.818 53.965 54.840 -0.095 0.000 0.818 933 L CB 1.971 43.866 42.059 -0.273 0.000 1.306 933 L HN 0.742 nan 8.230 nan 0.000 0.430 934 A N 1.480 124.459 122.820 0.265 0.000 2.350 934 A HA 0.507 4.822 4.320 -0.008 0.000 0.324 934 A C -1.581 176.249 177.584 0.411 0.000 1.118 934 A CA -0.386 51.898 52.037 0.412 0.000 0.783 934 A CB 0.945 20.194 19.000 0.415 0.000 1.236 934 A HN 0.617 nan 8.150 nan 0.000 0.457 935 Y N 1.875 122.377 120.300 0.336 0.000 2.365 935 Y HA 0.418 4.963 4.550 -0.008 0.000 0.340 935 Y C 0.148 176.125 175.900 0.128 0.000 1.016 935 Y CA 0.353 58.586 58.100 0.222 0.000 1.196 935 Y CB 0.676 39.347 38.460 0.352 0.000 1.167 935 Y HN 0.571 nan 8.280 nan 0.000 0.509 936 K N 9.250 129.554 120.400 -0.160 0.000 2.263 936 K HA 0.338 4.653 4.320 -0.008 0.000 0.272 936 K C -2.508 173.977 176.600 -0.191 0.000 1.033 936 K CA -1.891 54.348 56.287 -0.080 0.000 0.884 936 K CB 1.104 33.564 32.500 -0.067 0.000 1.107 936 K HN 0.427 nan 8.250 nan 0.000 0.460 937 P HA 0.162 nan 4.420 nan 0.000 0.297 937 P C 0.084 177.393 177.300 0.014 0.000 1.303 937 P CA -0.411 62.762 63.100 0.120 0.000 0.753 937 P CB 0.374 32.178 31.700 0.173 0.000 1.281 938 M N -3.655 115.957 119.600 0.019 0.000 2.843 938 M HA -0.242 4.233 4.480 -0.008 0.000 0.171 938 M C 0.470 176.756 176.300 -0.024 0.000 0.656 938 M CA 1.605 56.904 55.300 -0.002 0.000 0.629 938 M CB -2.772 29.827 32.600 -0.002 0.000 2.287 938 M HN 0.568 nan 8.290 nan 0.000 0.348 939 E N -0.494 119.673 120.200 -0.054 0.000 3.566 939 E HA 0.430 4.775 4.350 -0.008 0.000 0.241 939 E C 1.007 177.515 176.600 -0.154 0.000 1.208 939 E CA 2.129 58.469 56.400 -0.099 0.000 1.773 939 E CB -0.162 29.465 29.700 -0.121 0.000 1.818 939 E HN 0.715 nan 8.360 nan 0.000 0.865 940 G N 1.757 110.390 108.800 -0.279 0.000 2.248 940 G HA2 -0.197 3.758 3.960 -0.008 0.000 0.263 940 G HA3 -0.197 3.758 3.960 -0.008 0.000 0.263 940 G C -0.387 174.244 174.900 -0.448 0.000 1.082 940 G CA 0.566 45.472 45.100 -0.323 0.000 0.863 940 G HN 0.677 nan 8.290 nan 0.000 0.495 941 N N -1.546 116.744 118.700 -0.684 0.000 3.116 941 N HA 0.688 5.423 4.740 -0.008 0.000 0.244 941 N C -0.721 174.473 175.510 -0.527 0.000 1.485 941 N CA -1.463 51.268 53.050 -0.532 0.000 0.884 941 N CB 0.483 38.844 38.487 -0.210 0.000 1.415 941 N HN 0.007 nan 8.380 nan 0.000 0.524 942 F N -0.328 119.575 119.950 -0.078 0.000 2.375 942 F HA 0.423 4.945 4.527 -0.008 0.000 0.333 942 F C 0.850 176.664 175.800 0.023 0.000 1.104 942 F CA -0.230 57.768 58.000 -0.002 0.000 1.149 942 F CB 1.189 40.225 39.000 0.059 0.000 1.190 942 F HN 0.442 nan 8.300 nan 0.000 0.533 943 E N 3.025 123.379 120.200 0.257 0.000 2.281 943 E HA 0.119 4.464 4.350 -0.008 0.000 0.266 943 E C -1.174 175.498 176.600 0.120 0.000 0.893 943 E CA -0.606 55.892 56.400 0.163 0.000 0.798 943 E CB 1.180 30.948 29.700 0.113 0.000 1.245 943 E HN 0.635 nan 8.360 nan 0.000 0.410 944 E N 4.144 124.405 120.200 0.102 0.000 2.465 944 E HA -0.008 4.337 4.350 -0.008 0.000 0.260 944 E C 0.672 177.293 176.600 0.035 0.000 0.980 944 E CA 0.510 56.932 56.400 0.036 0.000 0.927 944 E CB 0.995 30.750 29.700 0.091 0.000 0.934 944 E HN 0.557 nan 8.360 nan 0.000 0.459 945 I N 1.590 122.152 120.570 -0.013 0.000 3.194 945 I HA 0.157 4.322 4.170 -0.008 0.000 0.271 945 I C 0.534 176.629 176.117 -0.038 0.000 1.150 945 I CA 0.244 61.535 61.300 -0.015 0.000 1.440 945 I CB 0.528 38.499 38.000 -0.049 0.000 1.276 945 I HN 0.411 nan 8.210 nan 0.000 0.457 946 A N 0.656 123.425 122.820 -0.085 0.000 2.566 946 A HA 0.710 5.025 4.320 -0.008 0.000 0.297 946 A C -0.964 176.570 177.584 -0.083 0.000 1.059 946 A CA -0.463 51.528 52.037 -0.077 0.000 0.691 946 A CB 1.474 20.400 19.000 -0.123 0.000 1.282 946 A HN 0.095 nan 8.150 nan 0.000 0.401 947 R N 0.693 121.194 120.500 0.002 0.000 2.589 947 R HA 0.474 4.809 4.340 -0.008 0.000 0.293 947 R C -1.190 175.113 176.300 0.004 0.000 0.963 947 R CA -0.586 55.543 56.100 0.047 0.000 0.905 947 R CB 1.407 31.822 30.300 0.191 0.000 1.144 947 R HN 0.832 nan 8.270 nan 0.000 0.459 948 D N 2.514 122.909 120.400 -0.009 0.000 2.351 948 D HA 0.088 4.723 4.640 -0.008 0.000 0.251 948 D C -0.594 175.817 176.300 0.185 0.000 1.137 948 D CA 0.087 54.070 54.000 -0.029 0.000 0.879 948 D CB 0.485 41.260 40.800 -0.042 0.000 1.181 948 D HN 0.104 nan 8.370 nan 0.000 0.448 949 F N 2.487 122.473 119.950 0.060 0.000 2.362 949 F HA 0.301 4.823 4.527 -0.008 0.000 0.311 949 F C 0.954 176.704 175.800 -0.084 0.000 1.161 949 F CA -1.157 56.825 58.000 -0.030 0.000 1.085 949 F CB -0.468 38.493 39.000 -0.065 0.000 1.311 949 F HN 0.676 nan 8.300 nan 0.000 0.524 950 N N -0.623 118.126 118.700 0.081 0.000 3.923 950 N HA -0.155 4.580 4.740 -0.008 0.000 0.306 950 N C -2.882 172.518 175.510 -0.184 0.000 2.133 950 N CA -0.100 52.902 53.050 -0.080 0.000 2.838 950 N CB -0.947 37.483 38.487 -0.096 0.000 0.433 950 N HN 0.254 nan 8.380 nan 0.000 0.727 951 P HA 0.094 nan 4.420 nan 0.000 0.262 951 P C -0.614 176.437 177.300 -0.414 0.000 1.304 951 P CA -0.165 62.748 63.100 -0.311 0.000 0.859 951 P CB 0.054 31.542 31.700 -0.353 0.000 1.310 952 N N 0.569 119.014 118.700 -0.425 0.000 2.026 952 N HA -0.188 4.547 4.740 -0.008 0.000 0.394 952 N C -0.688 174.704 175.510 -0.198 0.000 1.169 952 N CA 0.934 53.770 53.050 -0.356 0.000 0.990 952 N CB -0.006 38.149 38.487 -0.553 0.000 0.938 952 N HN 0.292 nan 8.380 nan 0.000 0.585 953 W N 3.644 124.940 121.300 -0.007 0.000 1.738 953 W HA 0.167 4.822 4.660 -0.008 0.000 0.399 953 W C 0.092 176.646 176.519 0.058 0.000 0.744 953 W CA -0.570 56.792 57.345 0.029 0.000 1.695 953 W CB -0.666 28.802 29.460 0.012 0.000 1.820 953 W HN 0.373 nan 8.180 nan 0.000 0.262 954 M N 0.017 119.788 119.600 0.285 0.000 2.252 954 M HA 0.013 4.488 4.480 -0.008 0.000 0.333 954 M C 1.437 177.759 176.300 0.036 0.000 1.111 954 M CA 0.503 55.919 55.300 0.192 0.000 1.140 954 M CB 0.266 32.996 32.600 0.217 0.000 1.538 954 M HN -0.001 nan 8.290 nan 0.000 0.448 955 S N 0.543 116.109 115.700 -0.223 0.000 2.412 955 S HA 0.599 5.064 4.470 -0.008 0.000 0.223 955 S C 0.445 174.666 174.600 -0.632 0.000 1.048 955 S CA 0.552 58.484 58.200 -0.447 0.000 0.954 955 S CB 0.205 62.870 63.200 -0.891 0.000 0.840 955 S HN 0.918 nan 8.310 nan 0.000 0.503 956 A N -0.230 122.211 122.820 -0.631 0.000 2.602 956 A HA 0.743 5.058 4.320 -0.008 0.000 0.290 956 A C -1.480 175.971 177.584 -0.222 0.000 1.114 956 A CA -0.464 51.162 52.037 -0.684 0.000 0.683 956 A CB 1.307 20.045 19.000 -0.437 0.000 1.281 956 A HN 0.353 nan 8.150 nan 0.000 0.416 957 V N -0.235 119.629 119.914 -0.083 0.000 3.040 957 V HA 0.903 5.018 4.120 -0.008 0.000 0.312 957 V C -1.345 174.784 176.094 0.057 0.000 1.115 957 V CA -0.302 61.993 62.300 -0.008 0.000 0.998 957 V CB 2.159 33.983 31.823 0.001 0.000 1.042 957 V HN 1.203 nan 8.190 nan 0.000 0.433 958 E N 2.538 122.657 120.200 -0.134 0.000 2.378 958 E HA 0.473 4.818 4.350 -0.008 0.000 0.283 958 E C -1.636 174.935 176.600 -0.047 0.000 0.979 958 E CA -0.407 55.916 56.400 -0.128 0.000 0.795 958 E CB 1.572 31.001 29.700 -0.451 0.000 1.221 958 E HN 0.579 nan 8.360 nan 0.000 0.428 959 I N 5.621 126.260 120.570 0.115 0.000 2.428 959 I HA 0.219 4.384 4.170 -0.008 0.000 0.289 959 I C 0.827 176.977 176.117 0.054 0.000 1.019 959 I CA -0.283 61.102 61.300 0.141 0.000 1.351 959 I CB 0.818 38.960 38.000 0.238 0.000 1.412 959 I HN 0.595 nan 8.210 nan 0.000 0.513 960 L N 3.730 124.880 121.223 -0.121 0.000 2.500 960 L HA 0.271 4.606 4.340 -0.008 0.000 0.219 960 L C -0.373 176.439 176.870 -0.097 0.000 1.057 960 L CA 0.173 54.954 54.840 -0.099 0.000 0.854 960 L CB -0.058 41.876 42.059 -0.209 0.000 1.078 960 L HN 0.752 nan 8.230 nan 0.000 0.480 961 D N -3.231 117.044 120.400 -0.209 0.000 2.710 961 D HA 0.049 4.684 4.640 -0.008 0.000 0.276 961 D C -0.797 175.357 176.300 -0.244 0.000 1.267 961 D CA -0.599 53.306 54.000 -0.157 0.000 0.772 961 D CB 0.297 41.011 40.800 -0.144 0.000 1.299 961 D HN -0.055 nan 8.370 nan 0.000 0.421 962 D N -0.932 119.435 120.400 -0.053 0.000 2.400 962 D HA 0.002 4.637 4.640 -0.008 0.000 0.242 962 D C 0.020 176.248 176.300 -0.120 0.000 1.077 962 D CA 0.524 54.577 54.000 0.087 0.000 0.943 962 D CB -0.058 40.988 40.800 0.409 0.000 0.882 962 D HN 0.338 nan 8.370 nan 0.000 0.529 963 D N -0.894 119.278 120.400 -0.380 0.000 2.415 963 D HA 0.064 4.699 4.640 -0.008 0.000 0.269 963 D C -0.037 175.866 176.300 -0.662 0.000 1.099 963 D CA -0.078 53.699 54.000 -0.371 0.000 0.865 963 D CB 0.298 40.973 40.800 -0.210 0.000 1.359 963 D HN 0.178 nan 8.370 nan 0.000 0.506 964 N N 0.262 118.419 118.700 -0.905 0.000 2.321 964 N HA 0.428 5.163 4.740 -0.008 0.000 0.299 964 N C -1.282 173.577 175.510 -1.084 0.000 1.048 964 N CA -0.324 52.257 53.050 -0.782 0.000 0.836 964 N CB 1.737 39.950 38.487 -0.456 0.000 1.269 964 N HN -0.204 nan 8.380 nan 0.000 0.486 965 F N 1.583 121.447 119.950 -0.143 0.000 2.547 965 F HA 0.431 4.953 4.527 -0.008 0.000 0.316 965 F C -0.157 175.517 175.800 -0.210 0.000 1.121 965 F CA -0.775 57.134 58.000 -0.151 0.000 0.911 965 F CB 1.719 40.653 39.000 -0.110 0.000 1.179 965 F HN 0.110 nan 8.300 nan 0.000 0.443 966 L N 2.631 123.749 121.223 -0.176 0.000 2.307 966 L HA 0.844 5.179 4.340 -0.008 0.000 0.284 966 L C -0.213 176.292 176.870 -0.610 0.000 1.023 966 L CA -0.267 54.319 54.840 -0.423 0.000 0.810 966 L CB 1.427 43.127 42.059 -0.599 0.000 1.231 966 L HN 0.845 nan 8.230 nan 0.000 0.423 967 G N 2.878 111.065 108.800 -1.022 0.000 2.591 967 G HA2 0.723 4.678 3.960 -0.008 0.000 0.306 967 G HA3 0.723 4.678 3.960 -0.008 0.000 0.306 967 G C -1.595 172.690 174.900 -1.025 0.000 1.334 967 G CA -0.420 43.873 45.100 -1.345 0.000 0.981 967 G HN 0.773 nan 8.290 nan 0.000 0.491 968 A N 1.608 124.212 122.820 -0.361 0.000 2.330 968 A HA 0.803 5.118 4.320 -0.008 0.000 0.313 968 A C -0.065 177.462 177.584 -0.095 0.000 1.124 968 A CA -0.632 51.292 52.037 -0.188 0.000 0.774 968 A CB 1.619 20.485 19.000 -0.223 0.000 1.198 968 A HN 0.798 nan 8.150 nan 0.000 0.465 969 E N 2.068 122.282 120.200 0.023 0.000 2.334 969 E HA 0.173 4.518 4.350 -0.008 0.000 0.256 969 E C 0.196 176.696 176.600 -0.166 0.000 0.958 969 E CA -0.554 55.861 56.400 0.025 0.000 0.821 969 E CB 0.358 30.186 29.700 0.214 0.000 1.269 969 E HN 0.569 nan 8.360 nan 0.000 0.413 970 N N 0.337 119.006 118.700 -0.051 0.000 2.503 970 N HA -0.179 4.556 4.740 -0.008 0.000 0.189 970 N C 0.980 176.197 175.510 -0.488 0.000 1.048 970 N CA 1.377 54.379 53.050 -0.080 0.000 0.905 970 N CB -0.404 38.111 38.487 0.047 0.000 0.951 970 N HN 0.456 nan 8.380 nan 0.000 0.446 971 A N -0.334 122.250 122.820 -0.394 0.000 2.307 971 A HA 0.306 4.621 4.320 -0.008 0.000 0.218 971 A C -0.040 177.315 177.584 -0.382 0.000 1.228 971 A CA -0.498 51.288 52.037 -0.419 0.000 0.857 971 A CB -0.885 17.959 19.000 -0.260 0.000 0.897 971 A HN 0.255 nan 8.150 nan 0.000 0.495 972 F N -1.234 118.715 119.950 -0.001 0.000 3.091 972 F HA -0.232 4.290 4.527 -0.008 0.000 0.288 972 F C 0.182 175.812 175.800 -0.283 0.000 0.907 972 F CA 0.428 58.350 58.000 -0.130 0.000 1.028 972 F CB -2.481 36.447 39.000 -0.121 0.000 1.022 972 F HN 0.300 nan 8.300 nan 0.000 0.665 973 N N 0.746 119.364 118.700 -0.137 0.000 2.471 973 N HA 0.865 5.600 4.740 -0.008 0.000 0.288 973 N C -0.400 175.090 175.510 -0.033 0.000 1.220 973 N CA -0.675 52.293 53.050 -0.136 0.000 0.893 973 N CB 1.734 40.065 38.487 -0.259 0.000 1.256 973 N HN 0.122 nan 8.380 nan 0.000 0.534 974 L N 0.733 121.958 121.223 0.003 0.000 2.362 974 L HA 0.610 4.945 4.340 -0.008 0.000 0.271 974 L C -0.982 175.988 176.870 0.167 0.000 1.002 974 L CA -0.967 53.832 54.840 -0.068 0.000 0.818 974 L CB 1.214 43.097 42.059 -0.293 0.000 1.298 974 L HN 0.514 nan 8.230 nan 0.000 0.420 975 F N 0.503 120.509 119.950 0.094 0.000 2.588 975 F HA 0.894 5.416 4.527 -0.008 0.000 0.314 975 F C -0.982 174.886 175.800 0.114 0.000 1.069 975 F CA -1.270 56.800 58.000 0.115 0.000 0.931 975 F CB 1.412 40.449 39.000 0.061 0.000 1.260 975 F HN -0.005 nan 8.300 nan 0.000 0.465 976 V N 1.662 121.733 119.914 0.263 0.000 2.531 976 V HA 0.441 4.556 4.120 -0.008 0.000 0.301 976 V C -0.401 175.754 176.094 0.102 0.000 1.034 976 V CA -0.705 61.653 62.300 0.097 0.000 0.865 976 V CB 1.327 33.145 31.823 -0.008 0.000 0.995 976 V HN 1.148 nan 8.190 nan 0.000 0.424 977 C N 3.220 122.591 119.300 0.120 0.000 2.325 977 C HA 0.783 5.238 4.460 -0.008 0.000 0.370 977 C C 0.119 175.139 174.990 0.051 0.000 1.217 977 C CA -0.381 58.707 59.018 0.116 0.000 2.254 977 C CB 1.492 29.365 27.740 0.222 0.000 2.282 977 C HN 0.914 nan 8.230 nan 0.000 0.564 978 Q N 0.647 120.450 119.800 0.004 0.000 2.345 978 Q HA 0.400 4.735 4.340 -0.008 0.000 0.275 978 Q C -0.571 175.407 176.000 -0.037 0.000 1.063 978 Q CA -0.341 55.422 55.803 -0.067 0.000 0.819 978 Q CB 1.414 30.066 28.738 -0.145 0.000 1.356 978 Q HN 0.617 nan 8.270 nan 0.000 0.418 979 K N 1.052 121.435 120.400 -0.029 0.000 2.761 979 K HA 0.537 4.852 4.320 -0.008 0.000 0.286 979 K C -0.745 175.814 176.600 -0.067 0.000 1.019 979 K CA -0.143 56.123 56.287 -0.034 0.000 1.070 979 K CB 0.519 33.005 32.500 -0.023 0.000 1.387 979 K HN 0.815 nan 8.250 nan 0.000 0.509 980 D N -2.170 118.202 120.400 -0.046 0.000 2.959 980 D HA 0.050 4.685 4.640 -0.008 0.000 0.325 980 D C -2.169 174.123 176.300 -0.014 0.000 1.351 980 D CA -0.189 53.788 54.000 -0.038 0.000 0.734 980 D CB 0.396 41.164 40.800 -0.054 0.000 1.303 980 D HN 0.477 nan 8.370 nan 0.000 0.450 981 S N -0.236 115.460 115.700 -0.008 0.000 2.543 981 S HA 0.846 5.311 4.470 -0.008 0.000 0.271 981 S C -1.342 173.260 174.600 0.004 0.000 1.148 981 S CA -0.483 57.720 58.200 0.005 0.000 0.914 981 S CB 1.584 64.793 63.200 0.015 0.000 1.096 981 S HN 0.928 nan 8.310 nan 0.000 0.471 982 A N 1.922 124.748 122.820 0.010 0.000 2.365 982 A HA 0.965 5.279 4.320 -0.008 0.000 0.318 982 A C 0.397 177.989 177.584 0.014 0.000 1.091 982 A CA -0.529 51.515 52.037 0.011 0.000 0.763 982 A CB 1.058 20.067 19.000 0.016 0.000 1.248 982 A HN 1.866 nan 8.150 nan 0.000 0.442 983 A N 1.017 123.844 122.820 0.012 0.000 2.429 983 A HA 0.517 4.832 4.320 -0.008 0.000 0.242 983 A C 0.874 178.466 177.584 0.013 0.000 1.088 983 A CA 0.757 52.801 52.037 0.012 0.000 0.784 983 A CB -0.831 18.175 19.000 0.009 0.000 1.038 983 A HN 2.170 nan 8.150 nan 0.000 0.501 984 T N 1.366 115.927 114.554 0.012 0.000 3.110 984 T HA -0.158 4.187 4.350 -0.008 0.000 0.445 984 T C 1.022 175.730 174.700 0.014 0.000 0.772 984 T CA 1.335 63.442 62.100 0.012 0.000 2.271 984 T CB -2.510 66.364 68.868 0.010 0.000 1.657 984 T HN 1.931 nan 8.240 nan 0.000 0.594 985 T N -1.531 113.032 114.554 0.015 0.000 11.150 985 T HA -0.329 4.016 4.350 -0.008 0.000 0.417 985 T C 0.329 175.041 174.700 0.020 0.000 1.460 985 T CA 1.878 63.988 62.100 0.017 0.000 2.433 985 T CB -1.076 67.801 68.868 0.014 0.000 2.893 985 T HN 0.953 nan 8.240 nan 0.000 1.015 986 D N 2.437 122.849 120.400 0.020 0.000 2.312 986 D HA 0.319 4.954 4.640 -0.008 0.000 0.252 986 D C -0.345 175.973 176.300 0.029 0.000 1.150 986 D CA 0.090 54.105 54.000 0.024 0.000 0.870 986 D CB 0.704 41.517 40.800 0.022 0.000 1.153 986 D HN 0.313 nan 8.370 nan 0.000 0.457 987 E N 2.483 122.706 120.200 0.037 0.000 2.113 987 E HA 0.121 4.466 4.350 -0.008 0.000 0.273 987 E C 0.105 176.739 176.600 0.058 0.000 0.924 987 E CA -0.388 56.037 56.400 0.041 0.000 0.764 987 E CB 1.697 31.421 29.700 0.040 0.000 1.104 987 E HN 0.358 nan 8.360 nan 0.000 0.406 988 E N 2.602 122.835 120.200 0.055 0.000 2.474 988 E HA 0.025 4.370 4.350 -0.008 0.000 0.194 988 E C 1.865 178.488 176.600 0.039 0.000 1.041 988 E CA 0.491 56.937 56.400 0.077 0.000 0.874 988 E CB 0.137 29.884 29.700 0.078 0.000 0.914 988 E HN 0.460 nan 8.360 nan 0.000 0.498 989 R N 0.618 121.130 120.500 0.020 0.000 2.241 989 R HA -0.066 4.269 4.340 -0.008 0.000 0.224 989 R C 1.772 178.072 176.300 -0.001 0.000 1.101 989 R CA 1.606 57.706 56.100 -0.001 0.000 0.995 989 R CB -1.016 29.289 30.300 0.009 0.000 0.870 989 R HN 0.323 nan 8.270 nan 0.000 0.463 990 Q N -1.047 118.772 119.800 0.033 0.000 2.425 990 Q HA 0.042 4.377 4.340 -0.008 0.000 0.204 990 Q C -0.000 176.025 176.000 0.043 0.000 0.933 990 Q CA 0.021 55.852 55.803 0.048 0.000 0.939 990 Q CB 0.267 29.057 28.738 0.088 0.000 1.044 990 Q HN 0.873 nan 8.270 nan 0.000 0.513 991 H N 0.380 119.349 119.070 -0.169 0.000 2.597 991 H HA 0.254 4.805 4.556 -0.008 0.000 0.303 991 H C -0.749 174.355 175.328 -0.373 0.000 1.057 991 H CA -0.595 55.174 56.048 -0.464 0.000 1.261 991 H CB 0.428 29.895 29.762 -0.491 0.000 1.397 991 H HN 0.072 nan 8.280 nan 0.000 0.461 992 L N 5.605 126.614 121.223 -0.357 0.000 2.536 992 L HA -0.006 4.329 4.340 -0.008 0.000 0.282 992 L C 0.342 176.902 176.870 -0.517 0.000 1.174 992 L CA -0.070 54.574 54.840 -0.326 0.000 0.989 992 L CB 0.101 42.039 42.059 -0.200 0.000 1.311 992 L HN 0.607 nan 8.230 nan 0.000 0.455 993 Q N 3.663 123.083 119.800 -0.632 0.000 2.330 993 Q HA 0.018 4.353 4.340 -0.008 0.000 0.279 993 Q C -0.279 175.544 176.000 -0.296 0.000 1.024 993 Q CA 0.257 55.677 55.803 -0.639 0.000 0.900 993 Q CB 0.706 29.163 28.738 -0.468 0.000 1.221 993 Q HN 0.554 nan 8.270 nan 0.000 0.396 994 E N 2.036 122.108 120.200 -0.213 0.000 2.134 994 E HA 0.362 4.707 4.350 -0.008 0.000 0.278 994 E C -0.227 176.329 176.600 -0.074 0.000 0.959 994 E CA -0.542 55.806 56.400 -0.086 0.000 0.783 994 E CB 1.146 30.826 29.700 -0.033 0.000 1.095 994 E HN 0.442 nan 8.360 nan 0.000 0.399 995 V N 0.195 120.079 119.914 -0.050 0.000 3.477 995 V HA 0.459 4.574 4.120 -0.008 0.000 0.297 995 V C 0.527 176.611 176.094 -0.016 0.000 1.433 995 V CA 0.286 62.547 62.300 -0.065 0.000 1.052 995 V CB 0.494 32.240 31.823 -0.128 0.000 0.895 995 V HN 0.620 nan 8.190 nan 0.000 0.438 996 G N 1.037 109.880 108.800 0.072 0.000 2.707 996 G HA2 0.714 4.669 3.960 -0.008 0.000 0.299 996 G HA3 0.714 4.669 3.960 -0.008 0.000 0.299 996 G C -1.402 173.723 174.900 0.374 0.000 1.442 996 G CA -0.590 44.652 45.100 0.238 0.000 1.009 996 G HN 0.217 nan 8.290 nan 0.000 0.515 997 L N 1.463 122.893 121.223 0.345 0.000 2.354 997 L HA 0.789 5.124 4.340 -0.008 0.000 0.269 997 L C -1.213 175.830 176.870 0.290 0.000 1.005 997 L CA -1.051 53.944 54.840 0.258 0.000 0.819 997 L CB 2.560 44.640 42.059 0.035 0.000 1.311 997 L HN 0.500 nan 8.230 nan 0.000 0.423 998 F N 1.528 121.428 119.950 -0.084 0.000 2.651 998 F HA 0.202 4.724 4.527 -0.008 0.000 0.327 998 F C -0.713 174.934 175.800 -0.255 0.000 1.133 998 F CA -0.601 57.204 58.000 -0.324 0.000 1.076 998 F CB 1.108 39.497 39.000 -1.018 0.000 1.315 998 F HN 0.466 nan 8.300 nan 0.000 0.499 999 H N 7.690 126.223 119.070 -0.894 0.000 2.846 999 H HA 0.237 4.788 4.556 -0.008 0.000 0.278 999 H C 0.361 174.977 175.328 -1.186 0.000 1.117 999 H CA 0.079 55.601 56.048 -0.876 0.000 1.406 999 H CB 1.200 30.476 29.762 -0.810 0.000 1.445 999 H HN 0.934 nan 8.280 nan 0.000 0.469 1000 L N 4.192 124.810 121.223 -1.008 0.000 2.007 1000 L HA -0.016 4.319 4.340 -0.008 0.000 0.205 1000 L C 1.536 177.959 176.870 -0.745 0.000 1.073 1000 L CA 1.889 56.340 54.840 -0.649 0.000 0.744 1000 L CB -0.244 41.650 42.059 -0.274 0.000 0.898 1000 L HN 1.006 nan 8.230 nan 0.000 0.435 1001 G N -0.831 107.493 108.800 -0.792 0.000 2.184 1001 G HA2 -0.152 3.803 3.960 -0.008 0.000 0.206 1001 G HA3 -0.152 3.803 3.960 -0.008 0.000 0.206 1001 G C 0.043 174.810 174.900 -0.222 0.000 0.995 1001 G CA -0.084 44.743 45.100 -0.456 0.000 0.651 1001 G HN 0.390 nan 8.290 nan 0.000 0.511 1002 E N -1.017 119.146 120.200 -0.061 0.000 2.355 1002 E HA 0.705 5.050 4.350 -0.008 0.000 0.261 1002 E C -1.371 175.439 176.600 0.350 0.000 0.943 1002 E CA -0.937 55.514 56.400 0.085 0.000 0.806 1002 E CB 1.941 31.702 29.700 0.102 0.000 1.286 1002 E HN 0.172 nan 8.360 nan 0.000 0.424 1003 F N 1.015 121.086 119.950 0.201 0.000 2.449 1003 F HA 0.312 4.834 4.527 -0.008 0.000 0.342 1003 F C -0.838 174.958 175.800 -0.005 0.000 1.127 1003 F CA -0.715 57.393 58.000 0.181 0.000 0.975 1003 F CB 1.048 40.206 39.000 0.264 0.000 1.146 1003 F HN 0.035 nan 8.300 nan 0.000 0.444 1004 V N 6.496 126.109 119.914 -0.502 0.000 2.311 1004 V HA 0.303 4.418 4.120 -0.008 0.000 0.275 1004 V C -0.423 175.372 176.094 -0.498 0.000 1.022 1004 V CA -0.903 61.112 62.300 -0.474 0.000 0.830 1004 V CB 0.625 31.979 31.823 -0.781 0.000 1.012 1004 V HN 0.653 nan 8.190 nan 0.000 0.452 1005 N N 3.383 121.956 118.700 -0.211 0.000 2.524 1005 N HA 0.484 5.219 4.740 -0.008 0.000 0.283 1005 N C -0.043 175.337 175.510 -0.217 0.000 1.142 1005 N CA -0.212 52.751 53.050 -0.145 0.000 0.984 1005 N CB 1.896 40.404 38.487 0.034 0.000 1.155 1005 N HN 0.974 nan 8.380 nan 0.000 0.467 1006 V N -1.576 118.226 119.914 -0.187 0.000 3.673 1006 V HA -0.243 3.872 4.120 -0.008 0.000 0.512 1006 V C -1.073 174.868 176.094 -0.256 0.000 0.682 1006 V CA 0.380 62.607 62.300 -0.122 0.000 2.054 1006 V CB -2.092 29.737 31.823 0.009 0.000 2.469 1006 V HN 0.514 nan 8.190 nan 0.000 0.511 1007 F N 5.057 125.018 119.950 0.019 0.000 2.483 1007 F HA 0.931 5.453 4.527 -0.008 0.000 0.329 1007 F C 0.870 176.688 175.800 0.031 0.000 1.064 1007 F CA 0.247 58.267 58.000 0.032 0.000 0.986 1007 F CB 1.929 40.907 39.000 -0.038 0.000 1.218 1007 F HN 1.339 nan 8.300 nan 0.000 0.484 1008 C N -0.245 119.183 119.300 0.213 0.000 3.302 1008 C HA 0.549 5.004 4.460 -0.008 0.000 0.347 1008 C C -0.814 174.209 174.990 0.054 0.000 1.218 1008 C CA -1.134 57.971 59.018 0.145 0.000 1.234 1008 C CB 0.326 28.170 27.740 0.172 0.000 1.551 1008 C HN 0.903 nan 8.230 nan 0.000 0.501 1009 H N 0.744 119.882 119.070 0.113 0.000 2.581 1009 H HA 0.734 5.285 4.556 -0.008 0.000 0.369 1009 H C 1.000 176.370 175.328 0.070 0.000 1.351 1009 H CA 1.884 57.981 56.048 0.081 0.000 1.434 1009 H CB 0.421 30.220 29.762 0.062 0.000 1.558 1009 H HN 1.886 nan 8.280 nan 0.000 0.608 1010 G N -0.877 108.032 108.800 0.182 0.000 2.555 1010 G HA2 0.254 4.209 3.960 -0.008 0.000 0.686 1010 G HA3 0.254 4.209 3.960 -0.008 0.000 0.686 1010 G C -0.668 174.275 174.900 0.073 0.000 1.275 1010 G CA -0.402 44.762 45.100 0.107 0.000 0.871 1010 G HN 1.045 nan 8.290 nan 0.000 0.603 1011 S N -1.348 114.384 115.700 0.053 0.000 2.720 1011 S HA 0.811 5.276 4.470 -0.008 0.000 0.287 1011 S C 0.557 175.177 174.600 0.035 0.000 1.168 1011 S CA -0.262 57.963 58.200 0.041 0.000 0.832 1011 S CB 1.767 64.989 63.200 0.037 0.000 1.166 1011 S HN 1.269 nan 8.310 nan 0.000 0.493 1012 L N 0.458 121.703 121.223 0.036 0.000 2.701 1012 L HA 0.410 4.745 4.340 -0.008 0.000 0.238 1012 L C -0.325 176.561 176.870 0.027 0.000 1.106 1012 L CA -0.012 54.848 54.840 0.034 0.000 0.898 1012 L CB 0.537 42.622 42.059 0.044 0.000 1.188 1012 L HN 0.452 nan 8.230 nan 0.000 0.508 1013 V N 0.052 119.980 119.914 0.022 0.000 2.834 1013 V HA 0.363 4.478 4.120 -0.008 0.000 0.313 1013 V C 0.225 176.318 176.094 -0.002 0.000 1.060 1013 V CA -0.780 61.524 62.300 0.007 0.000 0.989 1013 V CB 1.745 33.568 31.823 0.001 0.000 1.041 1013 V HN 0.078 nan 8.190 nan 0.000 0.459 1014 M N 2.147 121.739 119.600 -0.013 0.000 2.216 1014 M HA 0.492 4.967 4.480 -0.008 0.000 0.356 1014 M C -0.478 175.805 176.300 -0.028 0.000 1.205 1014 M CA -0.091 55.192 55.300 -0.028 0.000 1.122 1014 M CB 0.326 32.896 32.600 -0.049 0.000 1.571 1014 M HN 0.584 nan 8.290 nan 0.000 0.464 1015 Q N 1.707 121.488 119.800 -0.031 0.000 2.235 1015 Q HA 0.410 4.745 4.340 -0.008 0.000 0.256 1015 Q C -1.045 174.932 176.000 -0.037 0.000 0.951 1015 Q CA -0.557 55.229 55.803 -0.029 0.000 0.890 1015 Q CB 1.734 30.458 28.738 -0.023 0.000 1.279 1015 Q HN 0.543 nan 8.270 nan 0.000 0.444 1016 N N 0.301 118.984 118.700 -0.028 0.000 2.372 1016 N HA 0.570 5.305 4.740 -0.008 0.000 0.291 1016 N C -1.224 174.274 175.510 -0.019 0.000 1.024 1016 N CA -0.184 52.851 53.050 -0.025 0.000 0.873 1016 N CB 1.275 39.761 38.487 -0.001 0.000 1.206 1016 N HN 0.491 nan 8.380 nan 0.000 0.486 1017 L N 1.010 122.218 121.223 -0.025 0.000 2.418 1017 L HA 0.729 5.064 4.340 -0.008 0.000 0.265 1017 L C 1.750 178.616 176.870 -0.007 0.000 1.143 1017 L CA 0.211 55.039 54.840 -0.019 0.000 0.809 1017 L CB -0.448 41.594 42.059 -0.028 0.000 1.124 1017 L HN 0.840 nan 8.230 nan 0.000 0.456 1018 G N -0.389 108.411 108.800 -0.001 0.000 4.328 1018 G HA2 -0.167 3.788 3.960 -0.008 0.000 0.222 1018 G HA3 -0.167 3.788 3.960 -0.008 0.000 0.222 1018 G C 0.651 175.564 174.900 0.021 0.000 1.366 1018 G CA 1.694 46.800 45.100 0.009 0.000 1.115 1018 G HN 2.259 nan 8.290 nan 0.000 0.667 1019 E N -0.467 119.749 120.200 0.027 0.000 4.367 1019 E HA 0.753 5.098 4.350 -0.008 0.000 0.345 1019 E C 1.862 178.479 176.600 0.028 0.000 1.312 1019 E CA 1.584 58.008 56.400 0.039 0.000 2.005 1019 E CB -1.116 28.619 29.700 0.059 0.000 1.642 1019 E HN 2.638 nan 8.360 nan 0.000 0.783 1020 T N -1.489 113.082 114.554 0.028 0.000 2.274 1020 T HA 0.163 4.508 4.350 -0.008 0.000 0.767 1020 T C 0.680 175.390 174.700 0.016 0.000 1.005 1020 T CA 3.335 65.441 62.100 0.010 0.000 4.044 1020 T CB -2.273 66.590 68.868 -0.008 0.000 2.315 1020 T HN 2.279 nan 8.240 nan 0.000 0.394 1021 S N -1.442 114.251 115.700 -0.012 0.000 2.547 1021 S HA 0.670 5.135 4.470 -0.008 0.000 0.270 1021 S C -0.019 174.536 174.600 -0.074 0.000 1.150 1021 S CA 0.577 58.774 58.200 -0.005 0.000 0.850 1021 S CB 1.650 64.873 63.200 0.038 0.000 1.118 1021 S HN 1.587 nan 8.310 nan 0.000 0.461 1022 T N 1.113 115.642 114.554 -0.042 0.000 3.264 1022 T HA 0.314 4.659 4.350 -0.008 0.000 0.257 1022 T C -1.708 172.848 174.700 -0.239 0.000 0.976 1022 T CA -0.714 61.335 62.100 -0.084 0.000 0.908 1022 T CB -0.425 68.448 68.868 0.008 0.000 1.082 1022 T HN 0.529 nan 8.240 nan 0.000 0.567 1023 P HA 0.000 nan 4.420 nan 0.000 0.223 1023 P C 0.320 177.276 177.300 -0.574 0.000 1.151 1023 P CA 0.729 63.177 63.100 -1.086 0.000 0.787 1023 P CB -0.256 30.387 31.700 -1.761 0.000 0.788 1024 T N 0.319 114.640 114.554 -0.388 0.000 2.856 1024 T HA 0.233 4.578 4.350 -0.008 0.000 0.292 1024 T C 0.741 175.359 174.700 -0.138 0.000 0.980 1024 T CA -0.055 61.906 62.100 -0.231 0.000 1.091 1024 T CB 2.139 70.906 68.868 -0.168 0.000 0.936 1024 T HN -0.041 nan 8.240 nan 0.000 0.503 1025 Q N 1.947 121.694 119.800 -0.089 0.000 2.546 1025 Q HA 0.357 4.692 4.340 -0.008 0.000 0.203 1025 Q C 1.001 176.985 176.000 -0.027 0.000 0.740 1025 Q CA 0.571 56.344 55.803 -0.051 0.000 0.879 1025 Q CB -0.153 28.560 28.738 -0.042 0.000 1.265 1025 Q HN 0.801 nan 8.270 nan 0.000 0.585 1026 G N -0.139 108.649 108.800 -0.020 0.000 2.535 1026 G HA2 0.501 4.456 3.960 -0.008 0.000 0.303 1026 G HA3 0.501 4.456 3.960 -0.008 0.000 0.303 1026 G C -1.165 173.749 174.900 0.023 0.000 1.237 1026 G CA -0.044 45.062 45.100 0.010 0.000 0.986 1026 G HN 0.131 nan 8.290 nan 0.000 0.494 1027 S N -0.874 114.857 115.700 0.051 0.000 2.673 1027 S HA 0.461 4.926 4.470 -0.008 0.000 0.256 1027 S C -1.109 173.505 174.600 0.024 0.000 1.141 1027 S CA -0.585 57.642 58.200 0.045 0.000 1.109 1027 S CB 0.762 63.992 63.200 0.051 0.000 1.101 1027 S HN 0.591 nan 8.310 nan 0.000 0.471 1028 V N 6.545 126.455 119.914 -0.007 0.000 2.378 1028 V HA 0.514 4.629 4.120 -0.008 0.000 0.288 1028 V C -0.163 175.983 176.094 0.086 0.000 1.016 1028 V CA -0.663 61.606 62.300 -0.051 0.000 0.840 1028 V CB 1.189 32.919 31.823 -0.155 0.000 0.994 1028 V HN 0.785 nan 8.190 nan 0.000 0.431 1029 L N 5.509 126.770 121.223 0.064 0.000 2.379 1029 L HA 0.727 5.062 4.340 -0.008 0.000 0.269 1029 L C -0.467 176.487 176.870 0.140 0.000 1.084 1029 L CA -0.385 54.456 54.840 0.002 0.000 0.802 1029 L CB 1.175 43.216 42.059 -0.030 0.000 1.175 1029 L HN 0.732 nan 8.230 nan 0.000 0.448 1030 F N -0.898 119.067 119.950 0.026 0.000 2.608 1030 F HA 0.778 5.300 4.527 -0.008 0.000 0.309 1030 F C -0.058 175.666 175.800 -0.128 0.000 1.103 1030 F CA -1.165 56.770 58.000 -0.108 0.000 0.954 1030 F CB 0.916 39.777 39.000 -0.232 0.000 1.267 1030 F HN 0.379 nan 8.300 nan 0.000 0.444 1031 G N 1.377 110.226 108.800 0.082 0.000 2.356 1031 G HA2 0.527 4.482 3.960 -0.008 0.000 0.298 1031 G HA3 0.527 4.482 3.960 -0.008 0.000 0.298 1031 G C -0.962 173.996 174.900 0.095 0.000 1.145 1031 G CA -0.542 44.590 45.100 0.053 0.000 0.850 1031 G HN 0.794 nan 8.290 nan 0.000 0.487 1032 T N 1.325 115.946 114.554 0.112 0.000 2.945 1032 T HA 0.178 4.523 4.350 -0.008 0.000 0.286 1032 T C 1.353 176.122 174.700 0.115 0.000 1.025 1032 T CA -0.491 61.690 62.100 0.135 0.000 1.039 1032 T CB 2.055 71.013 68.868 0.149 0.000 1.068 1032 T HN 0.263 nan 8.240 nan 0.000 0.497 1033 V N 2.031 122.043 119.914 0.164 0.000 2.913 1033 V HA -0.077 4.038 4.120 -0.008 0.000 0.260 1033 V C 1.442 177.570 176.094 0.057 0.000 1.098 1033 V CA 1.797 64.167 62.300 0.116 0.000 1.121 1033 V CB -0.698 31.205 31.823 0.133 0.000 0.714 1033 V HN 0.777 nan 8.190 nan 0.000 0.487 1034 N N -0.643 118.095 118.700 0.063 0.000 2.280 1034 N HA 0.223 4.958 4.740 -0.008 0.000 0.192 1034 N C 1.185 176.716 175.510 0.036 0.000 1.109 1034 N CA 0.571 53.643 53.050 0.036 0.000 0.855 1034 N CB 0.664 39.167 38.487 0.026 0.000 0.974 1034 N HN 0.542 nan 8.380 nan 0.000 0.482 1035 G N 1.137 109.962 108.800 0.042 0.000 2.157 1035 G HA2 -0.269 3.686 3.960 -0.008 0.000 0.248 1035 G HA3 -0.269 3.686 3.960 -0.008 0.000 0.248 1035 G C 0.127 175.041 174.900 0.022 0.000 0.979 1035 G CA -0.150 44.968 45.100 0.029 0.000 0.650 1035 G HN 0.230 nan 8.290 nan 0.000 0.529 1036 M N 1.696 121.318 119.600 0.037 0.000 2.233 1036 M HA 0.552 5.027 4.480 -0.008 0.000 0.350 1036 M C 0.562 176.859 176.300 -0.005 0.000 1.176 1036 M CA -0.168 55.146 55.300 0.024 0.000 1.150 1036 M CB 0.230 32.868 32.600 0.064 0.000 1.530 1036 M HN 0.713 nan 8.290 nan 0.000 0.459 1037 I N 2.847 123.353 120.570 -0.105 0.000 2.796 1037 I HA 0.490 4.655 4.170 -0.008 0.000 0.279 1037 I C 0.286 176.089 176.117 -0.524 0.000 1.289 1037 I CA -0.877 60.268 61.300 -0.258 0.000 1.021 1037 I CB 0.383 38.284 38.000 -0.165 0.000 1.414 1037 I HN 0.653 nan 8.210 nan 0.000 0.562 1038 G N 3.994 112.237 108.800 -0.928 0.000 2.667 1038 G HA2 0.467 4.422 3.960 -0.008 0.000 0.250 1038 G HA3 0.467 4.422 3.960 -0.008 0.000 0.250 1038 G C -0.857 173.304 174.900 -1.232 0.000 1.212 1038 G CA -0.569 43.917 45.100 -1.024 0.000 0.874 1038 G HN 0.695 nan 8.290 nan 0.000 0.561 1039 L N 0.078 121.009 121.223 -0.486 0.000 2.354 1039 L HA 0.795 5.130 4.340 -0.008 0.000 0.269 1039 L C -0.487 176.443 176.870 0.099 0.000 1.005 1039 L CA -1.021 53.725 54.840 -0.156 0.000 0.819 1039 L CB 2.309 44.323 42.059 -0.075 0.000 1.311 1039 L HN 0.463 nan 8.230 nan 0.000 0.423 1040 V N 0.669 120.699 119.914 0.193 0.000 2.715 1040 V HA 0.764 4.879 4.120 -0.008 0.000 0.310 1040 V C -0.211 175.944 176.094 0.102 0.000 1.054 1040 V CA -0.384 62.025 62.300 0.180 0.000 0.928 1040 V CB 1.474 33.415 31.823 0.197 0.000 1.007 1040 V HN 0.849 nan 8.190 nan 0.000 0.437 1041 T N 1.523 116.139 114.554 0.102 0.000 2.916 1041 T HA 0.468 4.813 4.350 -0.008 0.000 0.305 1041 T C -0.361 174.338 174.700 -0.000 0.000 1.119 1041 T CA -0.340 61.794 62.100 0.056 0.000 1.008 1041 T CB 1.856 70.773 68.868 0.082 0.000 1.129 1041 T HN 0.860 nan 8.240 nan 0.000 0.480 1042 S N 2.949 118.624 115.700 -0.041 0.000 2.474 1042 S HA 0.484 4.949 4.470 -0.008 0.000 0.276 1042 S C -0.147 174.430 174.600 -0.038 0.000 1.227 1042 S CA -0.561 57.602 58.200 -0.061 0.000 1.050 1042 S CB 0.049 63.206 63.200 -0.072 0.000 0.939 1042 S HN 0.413 nan 8.310 nan 0.000 0.490 1043 L N 2.039 123.272 121.223 0.017 0.000 2.352 1043 L HA 0.469 4.804 4.340 -0.008 0.000 0.269 1043 L C 0.809 177.781 176.870 0.170 0.000 1.034 1043 L CA -0.572 54.306 54.840 0.063 0.000 0.806 1043 L CB 1.511 43.660 42.059 0.151 0.000 1.244 1043 L HN 0.569 nan 8.230 nan 0.000 0.447 1044 S N 0.306 116.138 115.700 0.220 0.000 2.576 1044 S HA -0.002 4.463 4.470 -0.008 0.000 0.276 1044 S C 1.040 175.788 174.600 0.246 0.000 1.339 1044 S CA -0.299 58.075 58.200 0.291 0.000 1.039 1044 S CB 0.843 64.326 63.200 0.472 0.000 0.902 1044 S HN 0.709 nan 8.310 nan 0.000 0.516 1045 E N 2.451 122.767 120.200 0.194 0.000 2.049 1045 E HA -0.147 4.198 4.350 -0.008 0.000 0.198 1045 E C 2.121 178.689 176.600 -0.054 0.000 1.007 1045 E CA 1.707 58.111 56.400 0.007 0.000 0.809 1045 E CB -0.656 29.132 29.700 0.146 0.000 0.749 1045 E HN 0.735 nan 8.360 nan 0.000 0.450 1046 S N -0.514 115.185 115.700 -0.002 0.000 2.359 1046 S HA -0.200 4.265 4.470 -0.008 0.000 0.223 1046 S C 1.837 176.380 174.600 -0.095 0.000 1.039 1046 S CA 1.879 60.027 58.200 -0.087 0.000 1.042 1046 S CB -0.564 62.543 63.200 -0.155 0.000 0.915 1046 S HN 0.439 nan 8.310 nan 0.000 0.439 1047 W N 0.207 121.495 121.300 -0.020 0.000 2.355 1047 W HA -0.060 4.595 4.660 -0.008 0.000 0.309 1047 W C 2.317 178.817 176.519 -0.030 0.000 1.206 1047 W CA 1.088 58.422 57.345 -0.019 0.000 1.284 1047 W CB -0.874 28.575 29.460 -0.019 0.000 1.145 1047 W HN 0.485 nan 8.180 nan 0.000 0.502 1048 Y N 2.031 122.373 120.300 0.069 0.000 2.069 1048 Y HA -0.397 4.148 4.550 -0.008 0.000 0.278 1048 Y C 2.235 178.086 175.900 -0.081 0.000 1.175 1048 Y CA 2.394 60.444 58.100 -0.083 0.000 1.134 1048 Y CB -0.992 37.191 38.460 -0.461 0.000 0.965 1048 Y HN -0.085 nan 8.280 nan 0.000 0.498 1049 N N 0.485 119.118 118.700 -0.111 0.000 2.069 1049 N HA -0.225 4.510 4.740 -0.008 0.000 0.191 1049 N C 1.932 177.355 175.510 -0.145 0.000 1.031 1049 N CA 1.717 54.672 53.050 -0.159 0.000 0.852 1049 N CB -0.873 37.569 38.487 -0.075 0.000 1.018 1049 N HN 0.450 nan 8.380 nan 0.000 0.423 1050 L N 1.659 122.828 121.223 -0.090 0.000 1.990 1050 L HA -0.126 4.209 4.340 -0.008 0.000 0.213 1050 L C 2.160 178.992 176.870 -0.064 0.000 1.072 1050 L CA 1.495 56.293 54.840 -0.071 0.000 0.755 1050 L CB -0.751 41.265 42.059 -0.072 0.000 0.889 1050 L HN 0.123 nan 8.230 nan 0.000 0.432 1051 L N -1.386 119.820 121.223 -0.029 0.000 2.056 1051 L HA -0.187 4.148 4.340 -0.008 0.000 0.207 1051 L C 2.547 179.352 176.870 -0.110 0.000 1.078 1051 L CA 0.562 55.384 54.840 -0.029 0.000 0.749 1051 L CB -0.706 41.389 42.059 0.060 0.000 0.901 1051 L HN 0.357 nan 8.230 nan 0.000 0.433 1052 L N 0.363 121.436 121.223 -0.250 0.000 2.013 1052 L HA -0.303 4.032 4.340 -0.008 0.000 0.212 1052 L C 2.333 179.128 176.870 -0.126 0.000 1.073 1052 L CA 2.123 56.804 54.840 -0.265 0.000 0.753 1052 L CB -1.006 40.783 42.059 -0.449 0.000 0.890 1052 L HN 0.375 nan 8.230 nan 0.000 0.432 1053 D N -0.766 119.567 120.400 -0.112 0.000 2.092 1053 D HA -0.222 4.413 4.640 -0.008 0.000 0.193 1053 D C 2.324 178.592 176.300 -0.055 0.000 0.994 1053 D CA 1.152 55.112 54.000 -0.066 0.000 0.828 1053 D CB 0.055 40.817 40.800 -0.063 0.000 0.963 1053 D HN 0.116 nan 8.370 nan 0.000 0.450 1054 M N 0.526 120.083 119.600 -0.071 0.000 2.088 1054 M HA -0.229 4.246 4.480 -0.008 0.000 0.256 1054 M C 2.272 178.546 176.300 -0.042 0.000 1.071 1054 M CA 1.583 56.839 55.300 -0.075 0.000 1.097 1054 M CB -1.335 31.202 32.600 -0.105 0.000 1.315 1054 M HN 0.233 nan 8.290 nan 0.000 0.406 1055 Q N -0.172 119.604 119.800 -0.041 0.000 2.062 1055 Q HA -0.213 4.122 4.340 -0.008 0.000 0.209 1055 Q C 1.872 177.857 176.000 -0.025 0.000 0.996 1055 Q CA 1.577 57.353 55.803 -0.044 0.000 0.859 1055 Q CB -0.475 28.243 28.738 -0.033 0.000 0.920 1055 Q HN 0.573 nan 8.270 nan 0.000 0.415 1056 N N 0.512 119.209 118.700 -0.004 0.000 2.149 1056 N HA -0.149 4.586 4.740 -0.008 0.000 0.188 1056 N C 1.708 177.231 175.510 0.023 0.000 1.019 1056 N CA 1.216 54.277 53.050 0.019 0.000 0.857 1056 N CB -0.151 38.348 38.487 0.020 0.000 0.997 1056 N HN 0.297 nan 8.380 nan 0.000 0.426 1057 R N 0.382 120.891 120.500 0.015 0.000 2.093 1057 R HA 0.112 4.447 4.340 -0.008 0.000 0.224 1057 R C 2.329 178.656 176.300 0.045 0.000 1.101 1057 R CA 0.401 56.518 56.100 0.028 0.000 0.979 1057 R CB -0.377 29.936 30.300 0.021 0.000 0.877 1057 R HN 0.138 nan 8.270 nan 0.000 0.441 1058 L N 1.318 122.567 121.223 0.044 0.000 2.131 1058 L HA -0.189 4.146 4.340 -0.008 0.000 0.210 1058 L C 1.732 178.636 176.870 0.057 0.000 1.092 1058 L CA 1.110 55.990 54.840 0.068 0.000 0.759 1058 L CB -0.365 41.730 42.059 0.060 0.000 0.903 1058 L HN 0.176 nan 8.230 nan 0.000 0.435 1059 N N -0.204 118.517 118.700 0.036 0.000 2.244 1059 N HA -0.137 4.598 4.740 -0.008 0.000 0.183 1059 N C 1.676 177.232 175.510 0.076 0.000 1.016 1059 N CA 0.964 54.049 53.050 0.059 0.000 0.866 1059 N CB -0.060 38.461 38.487 0.057 0.000 0.980 1059 N HN 0.322 nan 8.380 nan 0.000 0.430 1060 K N 0.309 120.745 120.400 0.061 0.000 2.097 1060 K HA 0.006 4.321 4.320 -0.008 0.000 0.205 1060 K C 0.827 177.457 176.600 0.051 0.000 1.050 1060 K CA 0.596 56.915 56.287 0.055 0.000 0.938 1060 K CB 0.039 32.566 32.500 0.045 0.000 0.718 1060 K HN 0.003 nan 8.250 nan 0.000 0.442 1061 V N 1.070 121.015 119.914 0.053 0.000 3.610 1061 V HA 0.170 4.285 4.120 -0.008 0.000 0.285 1061 V C 0.825 176.953 176.094 0.057 0.000 1.012 1061 V CA -0.684 61.643 62.300 0.046 0.000 0.975 1061 V CB 0.291 32.142 31.823 0.045 0.000 1.247 1061 V HN 0.311 nan 8.190 nan 0.000 0.424 1062 I N 0.006 120.601 120.570 0.041 0.000 7.320 1062 I HA -0.132 4.033 4.170 -0.008 0.000 0.126 1062 I C 0.008 176.145 176.117 0.034 0.000 1.838 1062 I CA -0.090 61.236 61.300 0.044 0.000 2.037 1062 I CB -0.318 37.738 38.000 0.093 0.000 3.632 1062 I HN 0.681 nan 8.210 nan 0.000 0.169 1063 K N 4.607 125.001 120.400 -0.009 0.000 2.315 1063 K HA 0.154 4.469 4.320 -0.008 0.000 0.281 1063 K C 0.585 177.149 176.600 -0.061 0.000 1.086 1063 K CA 0.171 56.439 56.287 -0.033 0.000 1.042 1063 K CB 0.758 33.225 32.500 -0.056 0.000 0.949 1063 K HN 0.556 nan 8.250 nan 0.000 0.450 1064 S N 1.726 117.409 115.700 -0.027 0.000 2.568 1064 S HA 0.013 4.478 4.470 -0.008 0.000 0.282 1064 S C 0.760 175.263 174.600 -0.163 0.000 1.338 1064 S CA -0.714 57.435 58.200 -0.086 0.000 1.045 1064 S CB 0.511 63.773 63.200 0.103 0.000 0.873 1064 S HN 0.319 nan 8.310 nan 0.000 0.516 1065 V N 4.087 123.842 119.914 -0.266 0.000 3.099 1065 V HA 0.479 4.594 4.120 -0.008 0.000 0.387 1065 V C 1.373 177.370 176.094 -0.162 0.000 1.358 1065 V CA 0.344 62.515 62.300 -0.214 0.000 1.528 1065 V CB -0.907 30.763 31.823 -0.256 0.000 1.342 1065 V HN 1.110 nan 8.190 nan 0.000 0.513 1066 G N 0.200 108.920 108.800 -0.133 0.000 3.698 1066 G HA2 -0.053 3.902 3.960 -0.008 0.000 0.222 1066 G HA3 -0.053 3.902 3.960 -0.008 0.000 0.222 1066 G C 0.248 175.079 174.900 -0.115 0.000 0.908 1066 G CA -0.412 44.630 45.100 -0.096 0.000 1.077 1066 G HN 0.266 nan 8.290 nan 0.000 0.709 1067 K N -0.477 119.813 120.400 -0.184 0.000 3.003 1067 K HA -0.214 4.101 4.320 -0.008 0.000 0.257 1067 K C 0.173 176.799 176.600 0.044 0.000 0.958 1067 K CA 0.812 56.996 56.287 -0.172 0.000 0.707 1067 K CB -0.965 31.174 32.500 -0.602 0.000 1.279 1067 K HN 0.511 nan 8.250 nan 0.000 0.479 1068 I N 1.329 121.963 120.570 0.106 0.000 2.396 1068 I HA 0.012 4.177 4.170 -0.008 0.000 0.289 1068 I C 0.912 177.213 176.117 0.306 0.000 1.056 1068 I CA 0.180 61.601 61.300 0.202 0.000 1.365 1068 I CB 0.893 39.022 38.000 0.215 0.000 1.407 1068 I HN 0.065 nan 8.210 nan 0.000 0.509 1069 E N 5.600 125.953 120.200 0.255 0.000 2.299 1069 E HA -0.057 4.288 4.350 -0.008 0.000 0.272 1069 E C 1.195 177.970 176.600 0.292 0.000 1.043 1069 E CA -0.023 56.534 56.400 0.261 0.000 0.895 1069 E CB 0.485 30.301 29.700 0.194 0.000 1.011 1069 E HN 0.603 nan 8.360 nan 0.000 0.432 1070 H N 3.861 122.966 119.070 0.059 0.000 2.265 1070 H HA -0.190 4.361 4.556 -0.008 0.000 0.295 1070 H C 1.583 176.923 175.328 0.019 0.000 1.084 1070 H CA 2.528 58.458 56.048 -0.198 0.000 1.261 1070 H CB 0.016 29.539 29.762 -0.399 0.000 1.360 1070 H HN 0.615 nan 8.280 nan 0.000 0.487 1071 S N 0.640 116.410 115.700 0.115 0.000 2.389 1071 S HA -0.253 4.212 4.470 -0.008 0.000 0.231 1071 S C 2.154 176.769 174.600 0.026 0.000 1.052 1071 S CA 1.677 59.920 58.200 0.071 0.000 1.053 1071 S CB -1.341 61.955 63.200 0.161 0.000 0.886 1071 S HN 0.529 nan 8.310 nan 0.000 0.456 1072 F N 2.513 122.459 119.950 -0.007 0.000 2.051 1072 F HA -0.092 4.430 4.527 -0.008 0.000 0.296 1072 F C 2.386 178.167 175.800 -0.033 0.000 1.122 1072 F CA 1.582 59.581 58.000 -0.002 0.000 1.201 1072 F CB -0.819 38.208 39.000 0.046 0.000 0.978 1072 F HN 0.377 nan 8.300 nan 0.000 0.472 1073 W N 1.728 122.870 121.300 -0.263 0.000 2.290 1073 W HA -0.322 4.333 4.660 -0.008 0.000 0.318 1073 W C 1.855 178.108 176.519 -0.444 0.000 1.248 1073 W CA 1.654 58.778 57.345 -0.369 0.000 1.263 1073 W CB -0.342 28.998 29.460 -0.201 0.000 1.147 1073 W HN 0.011 nan 8.180 nan 0.000 0.494 1074 R N 0.869 120.873 120.500 -0.826 0.000 2.161 1074 R HA -0.034 4.301 4.340 -0.008 0.000 0.213 1074 R C 1.443 177.364 176.300 -0.631 0.000 1.055 1074 R CA 1.049 56.545 56.100 -1.006 0.000 0.996 1074 R CB -1.274 28.542 30.300 -0.806 0.000 0.901 1074 R HN 0.191 nan 8.270 nan 0.000 0.456 1075 S N 1.003 116.450 115.700 -0.422 0.000 2.552 1075 S HA -0.035 4.430 4.470 -0.008 0.000 0.289 1075 S C 0.181 174.670 174.600 -0.185 0.000 1.304 1075 S CA -0.638 57.439 58.200 -0.205 0.000 1.063 1075 S CB 0.014 63.152 63.200 -0.104 0.000 0.848 1075 S HN 0.200 nan 8.310 nan 0.000 0.499 1076 F N 3.712 123.570 119.950 -0.153 0.000 2.602 1076 F HA 0.247 4.769 4.527 -0.008 0.000 0.385 1076 F C 0.313 176.079 175.800 -0.057 0.000 1.063 1076 F CA 0.509 58.455 58.000 -0.091 0.000 1.233 1076 F CB 0.239 39.221 39.000 -0.029 0.000 1.067 1076 F HN 0.883 nan 8.300 nan 0.000 0.564 1077 H N 3.917 122.581 119.070 -0.678 0.000 2.689 1077 H HA 0.490 5.041 4.556 -0.008 0.000 0.346 1077 H C -1.028 174.034 175.328 -0.443 0.000 1.037 1077 H CA -0.415 55.361 56.048 -0.453 0.000 1.234 1077 H CB 1.438 30.894 29.762 -0.509 0.000 1.572 1077 H HN 0.670 nan 8.280 nan 0.000 0.524 1078 T N 2.978 117.122 114.554 -0.683 0.000 2.888 1078 T HA 0.158 4.503 4.350 -0.008 0.000 0.288 1078 T C 0.982 175.343 174.700 -0.566 0.000 1.063 1078 T CA -0.921 60.903 62.100 -0.459 0.000 1.010 1078 T CB 1.563 70.349 68.868 -0.137 0.000 1.214 1078 T HN 0.667 nan 8.240 nan 0.000 0.533 1079 E N 0.086 120.148 120.200 -0.229 0.000 2.265 1079 E HA -0.129 4.216 4.350 -0.008 0.000 0.196 1079 E C 1.695 178.267 176.600 -0.046 0.000 0.996 1079 E CA 1.014 57.363 56.400 -0.085 0.000 0.832 1079 E CB 0.113 29.831 29.700 0.030 0.000 0.756 1079 E HN 0.390 nan 8.360 nan 0.000 0.491 1080 R N -0.299 120.170 120.500 -0.052 0.000 2.225 1080 R HA 0.202 4.537 4.340 -0.008 0.000 0.194 1080 R C 0.790 177.093 176.300 0.005 0.000 0.949 1080 R CA 0.103 56.199 56.100 -0.007 0.000 1.088 1080 R CB 0.585 30.889 30.300 0.006 0.000 1.106 1080 R HN -0.182 nan 8.270 nan 0.000 0.566 1081 K N 1.238 121.640 120.400 0.003 0.000 2.203 1081 K HA 0.380 4.695 4.320 -0.008 0.000 0.251 1081 K C -1.084 175.582 176.600 0.109 0.000 0.944 1081 K CA -0.274 56.062 56.287 0.082 0.000 0.829 1081 K CB 2.300 34.903 32.500 0.172 0.000 1.125 1081 K HN -0.134 nan 8.250 nan 0.000 0.430 1082 T N 2.446 117.102 114.554 0.171 0.000 3.050 1082 T HA 0.275 4.620 4.350 -0.008 0.000 0.310 1082 T C -1.197 173.614 174.700 0.185 0.000 0.978 1082 T CA -0.741 61.494 62.100 0.226 0.000 1.013 1082 T CB 1.151 70.177 68.868 0.264 0.000 1.000 1082 T HN 0.491 nan 8.240 nan 0.000 0.447 1083 E N 3.033 123.362 120.200 0.215 0.000 2.317 1083 E HA 0.356 4.701 4.350 -0.008 0.000 0.270 1083 E C -1.753 174.921 176.600 0.123 0.000 0.885 1083 E CA -2.635 53.842 56.400 0.128 0.000 0.760 1083 E CB 2.449 32.175 29.700 0.043 0.000 1.227 1083 E HN 0.185 nan 8.360 nan 0.000 0.434 1084 P HA -0.272 nan 4.420 nan 0.000 0.218 1084 P C -0.311 177.055 177.300 0.109 0.000 1.154 1084 P CA 1.829 64.987 63.100 0.097 0.000 0.872 1084 P CB 0.017 31.777 31.700 0.101 0.000 0.790 1085 A N -1.368 121.538 122.820 0.143 0.000 2.433 1085 A HA 0.186 4.501 4.320 -0.008 0.000 0.685 1085 A C 0.217 177.964 177.584 0.272 0.000 0.140 1085 A CA 0.053 52.218 52.037 0.214 0.000 0.034 1085 A CB -2.130 16.989 19.000 0.198 0.000 3.970 1085 A HN 0.444 nan 8.150 nan 0.000 0.547 1086 T N 0.175 114.913 114.554 0.307 0.000 2.906 1086 T HA 0.928 5.273 4.350 -0.008 0.000 0.295 1086 T C 1.451 176.390 174.700 0.398 0.000 1.075 1086 T CA 0.549 62.848 62.100 0.332 0.000 1.005 1086 T CB 1.532 70.535 68.868 0.224 0.000 1.136 1086 T HN 2.688 nan 8.240 nan 0.000 0.498 1087 G N 0.262 109.300 108.800 0.395 0.000 2.199 1087 G HA2 -0.181 3.774 3.960 -0.008 0.000 0.254 1087 G HA3 -0.181 3.774 3.960 -0.008 0.000 0.254 1087 G C -0.228 174.695 174.900 0.038 0.000 0.982 1087 G CA -0.035 45.129 45.100 0.108 0.000 0.632 1087 G HN 0.745 nan 8.290 nan 0.000 0.529 1088 F N -0.115 119.986 119.950 0.252 0.000 2.579 1088 F HA 0.838 5.360 4.527 -0.008 0.000 0.324 1088 F C 0.460 176.285 175.800 0.042 0.000 1.058 1088 F CA -1.073 56.931 58.000 0.006 0.000 0.944 1088 F CB 1.842 40.610 39.000 -0.388 0.000 1.245 1088 F HN -0.030 nan 8.300 nan 0.000 0.477 1089 I N 1.715 122.339 120.570 0.090 0.000 2.607 1089 I HA 0.209 4.374 4.170 -0.008 0.000 0.290 1089 I C -1.635 174.391 176.117 -0.151 0.000 1.129 1089 I CA -0.944 60.397 61.300 0.069 0.000 1.042 1089 I CB 2.222 40.346 38.000 0.206 0.000 1.242 1089 I HN 0.474 nan 8.210 nan 0.000 0.421 1090 D N 5.034 125.414 120.400 -0.033 0.000 2.317 1090 D HA 0.189 4.824 4.640 -0.008 0.000 0.234 1090 D C 1.114 177.339 176.300 -0.126 0.000 1.112 1090 D CA -0.638 53.317 54.000 -0.075 0.000 0.840 1090 D CB 1.832 42.806 40.800 0.290 0.000 1.078 1090 D HN 0.664 nan 8.370 nan 0.000 0.486 1091 G N 2.809 111.333 108.800 -0.460 0.000 2.462 1091 G HA2 -0.322 3.633 3.960 -0.008 0.000 0.220 1091 G HA3 -0.322 3.633 3.960 -0.008 0.000 0.220 1091 G C 0.946 175.868 174.900 0.038 0.000 1.121 1091 G CA 0.500 45.464 45.100 -0.227 0.000 0.758 1091 G HN 0.462 nan 8.290 nan 0.000 0.559 1092 D N -0.174 120.253 120.400 0.045 0.000 2.221 1092 D HA -0.069 4.566 4.640 -0.008 0.000 0.204 1092 D C 2.256 178.657 176.300 0.169 0.000 0.982 1092 D CA 0.295 54.373 54.000 0.130 0.000 0.857 1092 D CB -0.048 40.857 40.800 0.175 0.000 0.934 1092 D HN 0.318 nan 8.370 nan 0.000 0.475 1093 L N -0.309 121.007 121.223 0.155 0.000 2.127 1093 L HA -0.051 4.284 4.340 -0.008 0.000 0.203 1093 L C 1.797 178.738 176.870 0.119 0.000 1.080 1093 L CA 0.459 55.365 54.840 0.110 0.000 0.768 1093 L CB 0.038 42.075 42.059 -0.038 0.000 0.924 1093 L HN -0.025 nan 8.230 nan 0.000 0.444 1094 I N 0.447 121.093 120.570 0.127 0.000 2.226 1094 I HA -0.302 3.863 4.170 -0.008 0.000 0.245 1094 I C 2.413 178.652 176.117 0.203 0.000 1.100 1094 I CA 1.547 62.940 61.300 0.154 0.000 1.374 1094 I CB -0.355 37.775 38.000 0.218 0.000 1.057 1094 I HN 0.247 nan 8.210 nan 0.000 0.413 1095 E N -0.268 120.051 120.200 0.198 0.000 2.152 1095 E HA -0.129 4.216 4.350 -0.008 0.000 0.192 1095 E C 2.041 178.749 176.600 0.180 0.000 0.983 1095 E CA 1.250 57.769 56.400 0.197 0.000 0.818 1095 E CB -0.195 29.615 29.700 0.184 0.000 0.758 1095 E HN 0.539 nan 8.360 nan 0.000 0.467 1096 S N 0.414 116.211 115.700 0.163 0.000 2.595 1096 S HA -0.105 4.360 4.470 -0.008 0.000 0.235 1096 S C 1.528 176.210 174.600 0.137 0.000 0.974 1096 S CA 0.050 58.324 58.200 0.123 0.000 0.942 1096 S CB -0.436 62.832 63.200 0.113 0.000 0.766 1096 S HN 0.286 nan 8.310 nan 0.000 0.536 1097 F N 2.376 122.349 119.950 0.039 0.000 2.206 1097 F HA 0.232 4.754 4.527 -0.008 0.000 0.298 1097 F C 1.492 177.301 175.800 0.016 0.000 1.090 1097 F CA 0.916 58.931 58.000 0.025 0.000 1.323 1097 F CB -0.223 38.793 39.000 0.027 0.000 1.028 1097 F HN 0.176 nan 8.300 nan 0.000 0.492 1098 L N 0.316 121.530 121.223 -0.014 0.000 2.675 1098 L HA -0.020 4.315 4.340 -0.008 0.000 0.238 1098 L C 0.057 176.847 176.870 -0.133 0.000 1.155 1098 L CA 0.507 55.275 54.840 -0.120 0.000 0.881 1098 L CB -0.644 41.430 42.059 0.024 0.000 1.008 1098 L HN 0.112 nan 8.230 nan 0.000 0.443 1099 D N 0.494 120.818 120.400 -0.126 0.000 2.650 1099 D HA 0.292 4.927 4.640 -0.008 0.000 0.265 1099 D C 0.275 176.510 176.300 -0.108 0.000 1.339 1099 D CA 0.090 54.035 54.000 -0.093 0.000 0.816 1099 D CB 0.726 41.500 40.800 -0.043 0.000 1.091 1099 D HN 0.297 nan 8.370 nan 0.000 0.483 1100 I N -2.305 118.163 120.570 -0.171 0.000 3.067 1100 I HA 0.554 4.719 4.170 -0.008 0.000 0.312 1100 I C 0.418 176.445 176.117 -0.150 0.000 1.073 1100 I CA -1.127 60.088 61.300 -0.142 0.000 1.016 1100 I CB 1.838 39.762 38.000 -0.125 0.000 1.227 1100 I HN -0.210 nan 8.210 nan 0.000 0.456 1101 S N 1.888 117.526 115.700 -0.103 0.000 2.585 1101 S HA 0.321 4.786 4.470 -0.008 0.000 0.273 1101 S C 0.855 175.398 174.600 -0.094 0.000 1.339 1101 S CA -0.502 57.646 58.200 -0.086 0.000 1.028 1101 S CB 1.200 64.366 63.200 -0.057 0.000 0.906 1101 S HN 0.777 nan 8.310 nan 0.000 0.528 1102 R N 1.251 121.704 120.500 -0.078 0.000 2.152 1102 R HA -0.031 4.304 4.340 -0.008 0.000 0.232 1102 R C -0.907 175.373 176.300 -0.034 0.000 1.117 1102 R CA 1.335 57.397 56.100 -0.064 0.000 0.981 1102 R CB -1.534 28.738 30.300 -0.046 0.000 0.870 1102 R HN 0.600 nan 8.270 nan 0.000 0.451 1103 P HA -0.123 nan 4.420 nan 0.000 0.214 1103 P C 0.726 178.023 177.300 -0.005 0.000 1.162 1103 P CA 1.302 64.395 63.100 -0.011 0.000 0.874 1103 P CB -0.010 31.683 31.700 -0.012 0.000 0.784 1104 K N -1.100 119.291 120.400 -0.014 0.000 2.147 1104 K HA -0.106 4.209 4.320 -0.008 0.000 0.205 1104 K C 2.245 178.854 176.600 0.015 0.000 1.049 1104 K CA 1.301 57.586 56.287 -0.002 0.000 0.936 1104 K CB -0.489 32.002 32.500 -0.015 0.000 0.722 1104 K HN 0.125 nan 8.250 nan 0.000 0.446 1105 M N 0.864 120.453 119.600 -0.020 0.000 2.086 1105 M HA -0.251 4.224 4.480 -0.008 0.000 0.261 1105 M C 2.085 178.443 176.300 0.098 0.000 1.067 1105 M CA 1.746 57.051 55.300 0.009 0.000 1.116 1105 M CB 0.063 32.584 32.600 -0.131 0.000 1.348 1105 M HN 0.090 nan 8.290 nan 0.000 0.407 1106 Q N -0.519 119.311 119.800 0.049 0.000 2.224 1106 Q HA -0.210 4.125 4.340 -0.008 0.000 0.203 1106 Q C 1.795 177.824 176.000 0.048 0.000 0.970 1106 Q CA 1.448 57.281 55.803 0.051 0.000 0.865 1106 Q CB -0.048 28.708 28.738 0.029 0.000 0.922 1106 Q HN 0.537 nan 8.270 nan 0.000 0.445 1107 E N -0.313 119.914 120.200 0.045 0.000 2.072 1107 E HA -0.169 4.176 4.350 -0.008 0.000 0.191 1107 E C 1.697 178.327 176.600 0.049 0.000 0.985 1107 E CA 1.156 57.580 56.400 0.040 0.000 0.801 1107 E CB 0.226 29.946 29.700 0.033 0.000 0.750 1107 E HN 0.173 nan 8.360 nan 0.000 0.452 1108 V N 0.515 120.475 119.914 0.077 0.000 2.515 1108 V HA -0.173 3.942 4.120 -0.008 0.000 0.250 1108 V C 2.160 178.280 176.094 0.044 0.000 1.058 1108 V CA 1.159 63.506 62.300 0.078 0.000 1.064 1108 V CB 0.207 32.120 31.823 0.149 0.000 0.675 1108 V HN 0.206 nan 8.190 nan 0.000 0.461 1109 V N 0.024 119.970 119.914 0.055 0.000 3.235 1109 V HA 0.240 4.355 4.120 -0.008 0.000 0.259 1109 V C 1.404 177.506 176.094 0.013 0.000 1.133 1109 V CA 0.393 62.702 62.300 0.016 0.000 1.128 1109 V CB -0.805 31.036 31.823 0.029 0.000 0.757 1109 V HN 0.430 nan 8.190 nan 0.000 0.469 1110 A N 1.647 124.481 122.820 0.023 0.000 2.567 1110 A HA 0.160 4.475 4.320 -0.008 0.000 0.240 1110 A C 1.207 178.799 177.584 0.013 0.000 1.053 1110 A CA 0.587 52.636 52.037 0.019 0.000 0.755 1110 A CB -0.381 18.631 19.000 0.021 0.000 0.978 1110 A HN 0.670 nan 8.150 nan 0.000 0.507 1111 N N -1.504 117.204 118.700 0.013 0.000 2.936 1111 N HA -0.174 4.561 4.740 -0.008 0.000 0.236 1111 N C -0.294 175.221 175.510 0.009 0.000 0.930 1111 N CA 1.301 54.357 53.050 0.011 0.000 0.966 1111 N CB -1.534 36.959 38.487 0.010 0.000 1.090 1111 N HN 0.690 nan 8.380 nan 0.000 0.592 1112 L N 2.717 123.944 121.223 0.007 0.000 2.315 1112 L HA 0.188 4.523 4.340 -0.008 0.000 0.283 1112 L C 0.154 177.040 176.870 0.028 0.000 1.089 1112 L CA 0.138 54.981 54.840 0.004 0.000 0.833 1112 L CB 0.727 42.774 42.059 -0.019 0.000 1.170 1112 L HN -0.044 nan 8.230 nan 0.000 0.442 1113 Q N 5.010 124.825 119.800 0.025 0.000 2.323 1113 Q HA 0.156 4.491 4.340 -0.008 0.000 0.257 1113 Q C -1.240 174.801 176.000 0.068 0.000 1.022 1113 Q CA 0.081 55.903 55.803 0.032 0.000 0.919 1113 Q CB 0.853 29.593 28.738 0.002 0.000 1.220 1113 Q HN 0.588 nan 8.270 nan 0.000 0.427 1114 Y N 2.099 122.353 120.300 -0.078 0.000 2.393 1114 Y HA 0.288 4.833 4.550 -0.008 0.000 0.341 1114 Y C -0.773 175.058 175.900 -0.115 0.000 0.988 1114 Y CA -1.448 56.586 58.100 -0.110 0.000 1.078 1114 Y CB 1.434 39.837 38.460 -0.094 0.000 1.203 1114 Y HN 0.437 nan 8.280 nan 0.000 0.453 1115 D N 4.912 124.958 120.400 -0.591 0.000 2.373 1115 D HA 0.096 4.731 4.640 -0.008 0.000 0.227 1115 D C -0.379 175.253 176.300 -1.114 0.000 1.091 1115 D CA -0.177 53.430 54.000 -0.656 0.000 0.840 1115 D CB 0.924 41.489 40.800 -0.392 0.000 1.060 1115 D HN 0.784 nan 8.370 nan 0.000 0.502 1116 D N 2.581 122.418 120.400 -0.937 0.000 2.370 1116 D HA 0.135 4.770 4.640 -0.008 0.000 0.230 1116 D C 1.301 177.429 176.300 -0.287 0.000 1.143 1116 D CA -0.003 53.588 54.000 -0.682 0.000 0.834 1116 D CB 0.061 40.645 40.800 -0.361 0.000 0.944 1116 D HN 0.669 nan 8.370 nan 0.000 0.504 1117 G N 0.207 108.839 108.800 -0.279 0.000 2.241 1117 G HA2 -0.372 3.583 3.960 -0.008 0.000 0.244 1117 G HA3 -0.372 3.583 3.960 -0.008 0.000 0.244 1117 G C 1.081 175.913 174.900 -0.113 0.000 0.998 1117 G CA 0.473 45.487 45.100 -0.144 0.000 0.621 1117 G HN 0.479 nan 8.290 nan 0.000 0.519 1118 S N 0.378 116.001 115.700 -0.130 0.000 2.515 1118 S HA 0.320 4.785 4.470 -0.008 0.000 0.231 1118 S C 2.493 177.039 174.600 -0.090 0.000 0.987 1118 S CA 1.972 60.118 58.200 -0.091 0.000 0.936 1118 S CB -0.548 62.603 63.200 -0.083 0.000 0.766 1118 S HN 2.367 nan 8.310 nan 0.000 0.528 1119 G N 0.831 109.560 108.800 -0.119 0.000 2.435 1119 G HA2 -0.303 3.652 3.960 -0.008 0.000 0.245 1119 G HA3 -0.303 3.652 3.960 -0.008 0.000 0.245 1119 G C 0.240 175.084 174.900 -0.094 0.000 1.073 1119 G CA 0.573 45.612 45.100 -0.102 0.000 0.638 1119 G HN 0.535 nan 8.290 nan 0.000 0.521 1120 M N 1.360 120.909 119.600 -0.085 0.000 2.156 1120 M HA 0.365 4.840 4.480 -0.008 0.000 0.345 1120 M C 0.560 176.808 176.300 -0.087 0.000 1.398 1120 M CA -0.280 54.978 55.300 -0.070 0.000 1.148 1120 M CB 1.134 33.704 32.600 -0.051 0.000 1.663 1120 M HN 0.172 nan 8.290 nan 0.000 0.464 1121 K N 3.247 123.600 120.400 -0.079 0.000 2.380 1121 K HA 0.274 4.589 4.320 -0.008 0.000 0.267 1121 K C -0.490 176.080 176.600 -0.050 0.000 0.990 1121 K CA 0.547 56.787 56.287 -0.079 0.000 0.946 1121 K CB 0.673 33.138 32.500 -0.058 0.000 0.937 1121 K HN 0.617 nan 8.250 nan 0.000 0.491 1122 R N 1.344 121.824 120.500 -0.033 0.000 2.734 1122 R HA 0.180 4.515 4.340 -0.008 0.000 0.271 1122 R C -1.140 175.183 176.300 0.038 0.000 1.021 1122 R CA -0.785 55.316 56.100 0.002 0.000 0.893 1122 R CB 1.147 31.450 30.300 0.004 0.000 1.244 1122 R HN 0.631 nan 8.270 nan 0.000 0.464 1123 E N 0.967 121.192 120.200 0.041 0.000 2.366 1123 E HA 0.217 4.562 4.350 -0.008 0.000 0.266 1123 E C -0.578 176.071 176.600 0.081 0.000 1.015 1123 E CA 0.192 56.623 56.400 0.051 0.000 0.906 1123 E CB 1.197 30.918 29.700 0.035 0.000 0.979 1123 E HN 0.523 nan 8.360 nan 0.000 0.443 1124 A N 3.397 126.272 122.820 0.092 0.000 2.388 1124 A HA 0.424 4.739 4.320 -0.008 0.000 0.257 1124 A C 0.355 177.959 177.584 0.033 0.000 1.095 1124 A CA -0.367 51.721 52.037 0.084 0.000 0.791 1124 A CB 0.263 19.261 19.000 -0.004 0.000 1.029 1124 A HN 0.640 nan 8.150 nan 0.000 0.489 1125 T N -1.398 113.173 114.554 0.028 0.000 2.952 1125 T HA 0.593 4.938 4.350 -0.008 0.000 0.286 1125 T C 1.179 175.894 174.700 0.026 0.000 1.024 1125 T CA -0.076 62.043 62.100 0.031 0.000 1.029 1125 T CB 1.487 70.383 68.868 0.046 0.000 1.094 1125 T HN 1.276 nan 8.240 nan 0.000 0.515 1126 A N 0.932 123.787 122.820 0.057 0.000 1.986 1126 A HA -0.115 4.200 4.320 -0.008 0.000 0.220 1126 A C 1.862 179.520 177.584 0.124 0.000 1.171 1126 A CA 1.981 54.087 52.037 0.114 0.000 0.640 1126 A CB -1.099 17.953 19.000 0.087 0.000 0.811 1126 A HN 0.886 nan 8.150 nan 0.000 0.451 1127 D N 0.049 120.493 120.400 0.072 0.000 2.183 1127 D HA -0.080 4.555 4.640 -0.008 0.000 0.203 1127 D C 1.349 177.683 176.300 0.057 0.000 0.969 1127 D CA 1.087 55.127 54.000 0.067 0.000 0.842 1127 D CB -0.336 40.495 40.800 0.052 0.000 0.957 1127 D HN 0.405 nan 8.370 nan 0.000 0.484 1128 D N 0.085 120.497 120.400 0.021 0.000 2.149 1128 D HA -0.117 4.518 4.640 -0.008 0.000 0.198 1128 D C 1.989 178.210 176.300 -0.132 0.000 0.990 1128 D CA 0.463 54.445 54.000 -0.030 0.000 0.839 1128 D CB 0.058 40.804 40.800 -0.090 0.000 0.948 1128 D HN 0.165 nan 8.370 nan 0.000 0.460 1129 L N 0.566 121.699 121.223 -0.150 0.000 2.209 1129 L HA 0.047 4.382 4.340 -0.008 0.000 0.207 1129 L C 2.445 179.327 176.870 0.021 0.000 1.094 1129 L CA 0.603 55.317 54.840 -0.210 0.000 0.790 1129 L CB -0.766 41.041 42.059 -0.420 0.000 0.932 1129 L HN 0.053 nan 8.230 nan 0.000 0.447 1130 I N 0.692 121.412 120.570 0.249 0.000 2.226 1130 I HA -0.339 3.826 4.170 -0.008 0.000 0.245 1130 I C 2.301 178.505 176.117 0.145 0.000 1.100 1130 I CA 1.477 62.957 61.300 0.299 0.000 1.374 1130 I CB -0.151 37.963 38.000 0.190 0.000 1.057 1130 I HN 0.279 nan 8.210 nan 0.000 0.413 1131 K N 0.290 120.745 120.400 0.090 0.000 2.432 1131 K HA 0.007 4.322 4.320 -0.008 0.000 0.196 1131 K C 1.483 178.130 176.600 0.078 0.000 1.038 1131 K CA 0.779 57.108 56.287 0.070 0.000 0.986 1131 K CB -0.398 32.138 32.500 0.059 0.000 0.782 1131 K HN 0.079 nan 8.250 nan 0.000 0.485 1132 V N 0.360 120.321 119.914 0.077 0.000 2.379 1132 V HA -0.121 3.994 4.120 -0.008 0.000 0.243 1132 V C 2.131 178.245 176.094 0.034 0.000 1.035 1132 V CA 0.996 63.355 62.300 0.098 0.000 1.035 1132 V CB 0.157 32.066 31.823 0.143 0.000 0.673 1132 V HN 0.201 nan 8.190 nan 0.000 0.457 1133 V N -0.080 119.857 119.914 0.039 0.000 2.358 1133 V HA -0.225 3.890 4.120 -0.008 0.000 0.246 1133 V C 2.470 178.611 176.094 0.079 0.000 1.047 1133 V CA 2.092 64.433 62.300 0.068 0.000 1.035 1133 V CB -0.613 31.309 31.823 0.164 0.000 0.658 1133 V HN 0.594 nan 8.190 nan 0.000 0.452 1134 E N 0.612 120.866 120.200 0.089 0.000 2.086 1134 E HA -0.296 4.049 4.350 -0.008 0.000 0.205 1134 E C 2.275 178.892 176.600 0.028 0.000 1.027 1134 E CA 2.044 58.480 56.400 0.061 0.000 0.830 1134 E CB -0.348 29.386 29.700 0.056 0.000 0.751 1134 E HN 0.553 nan 8.360 nan 0.000 0.456 1135 E N 0.228 120.435 120.200 0.012 0.000 2.038 1135 E HA -0.179 4.166 4.350 -0.008 0.000 0.195 1135 E C 2.218 178.787 176.600 -0.052 0.000 1.000 1135 E CA 1.257 57.643 56.400 -0.023 0.000 0.803 1135 E CB -0.379 29.302 29.700 -0.031 0.000 0.750 1135 E HN 0.410 nan 8.360 nan 0.000 0.448 1136 L N 0.889 122.071 121.223 -0.068 0.000 2.353 1136 L HA -0.148 4.187 4.340 -0.008 0.000 0.220 1136 L C 2.661 179.552 176.870 0.035 0.000 1.133 1136 L CA 1.548 56.338 54.840 -0.084 0.000 0.798 1136 L CB -0.500 41.477 42.059 -0.137 0.000 0.922 1136 L HN 0.267 nan 8.230 nan 0.000 0.445 1137 T N -2.951 111.623 114.554 0.033 0.000 3.014 1137 T HA -0.114 4.231 4.350 -0.008 0.000 0.263 1137 T C 1.577 176.177 174.700 -0.167 0.000 1.078 1137 T CA 0.292 62.398 62.100 0.008 0.000 1.135 1137 T CB -0.077 68.798 68.868 0.012 0.000 0.895 1137 T HN 0.213 nan 8.240 nan 0.000 0.480 1138 R N 1.327 121.770 120.500 -0.095 0.000 3.541 1138 R HA 0.393 4.728 4.340 -0.008 0.000 0.277 1138 R C 0.883 177.142 176.300 -0.069 0.000 1.539 1138 R CA -0.065 55.972 56.100 -0.106 0.000 1.338 1138 R CB -0.441 29.830 30.300 -0.050 0.000 1.343 1138 R HN 0.693 nan 8.270 nan 0.000 0.623 1139 I N -3.253 117.294 120.570 -0.038 0.000 4.025 1139 I HA 0.240 4.405 4.170 -0.008 0.000 0.336 1139 I C 0.342 176.527 176.117 0.113 0.000 1.390 1139 I CA -0.437 60.882 61.300 0.031 0.000 1.099 1139 I CB 0.062 38.089 38.000 0.045 0.000 1.049 1139 I HN 0.074 nan 8.210 nan 0.000 0.394 1140 H N 0.000 119.082 119.070 0.021 0.000 2.539 1140 H HA 0.000 4.551 4.556 -0.008 0.000 0.296 1140 H CA 0.000 56.056 56.048 0.013 0.000 1.023 1140 H CB 0.000 29.768 29.762 0.010 0.000 1.292 1140 H HN 0.000 nan 8.280 nan 0.000 0.496