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 2otg_1_A DATA FIRST_RESID 6 DATA SEQUENCE NDPDFQYLAV DRKKMMKEQT APFDGKKNCW VPDPKEGFAS AEIQSSKGEE DATA SEQUENCE ITVKIVSDNS TRTVKKDDIQ QMNPPKFEKL EDMANMTYLN EASVLNNLRG DATA SEQUENCE RYTAGLIYTY SGLFCIAVNP YRRLPIYTDS VIAKYRGKRK TEIPPHLFSV DATA SEQUENCE ADNAYQNMVT DRENQSCLIT GESGAGKTES TKKVIMYFAR VAANLXXXXX DATA SEQUENCE XXXXXXXSNL EDQIIEANPV LEAFGNAKTV RNNNSSRFGK FIRIHFGPTG DATA SEQUENCE KIAGADIETY LLEKSRVTYQ QSAERNYHIF YQICSNAIPE LNEVMLITPD DATA SEQUENCE SGLYSFINQG CLTVDNIDDV EEFKLCDEAF DILGFTKEEK TSMFKCTASI DATA SEQUENCE LHMGEMKFKQ RPREEQAESD GTAEAEKVAF LCGINAGDLL KALLKPKVKV DATA SEQUENCE GTEMVTKGQN LQQVINSVGA LSKSLYDRMF NWLVKRVNRT LDTKAKRNYY DATA SEQUENCE IGVLDIAGFE IFDFNSFEQL CINYTNERLQ QFFNHHMFVL EQEEYKKEGI DATA SEQUENCE QWEFIDFGMD LQMCIDLIEK PMGILSILEE ECMFPKADDK SFQDYSYQNH DATA SEQUENCE IGKNRMFTKP GKPTRPNQGH AHFELHHYAG NVPYSIAGWL DKNKDPINEN DATA SEQUENCE VVSLLAVSKE PLVAELFRAP DXXXXXXXXX XXXXXXXQTI SAVHRESLNK DATA SEQUENCE LMCNLRRTNP HFVRCIIPNL EKDPGLVDAE LVLHQLQCNG VLEGIRICRK DATA SEQUENCE GFPSRLIYSE FKQRYSILAP NAIPQXXXDG KTVSEKILTG LQMDPSEYRL DATA SEQUENCE GTTKVFFKAG VLGNLEEMRD ERLSKIISMF QAHIRGYLIR KAYKKLQDQR DATA SEQUENCE IGLSVIQRNI RKWLVLRNWQ WWKLYAKVKP L 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 6 N HA 0.000 nan 4.740 nan 0.000 0.220 6 N C 0.000 175.596 175.510 0.144 0.000 1.280 6 N CA 0.000 53.104 53.050 0.090 0.000 0.885 6 N CB 0.000 38.522 38.487 0.059 0.000 1.341 7 D N 0.325 120.873 120.400 0.247 0.000 2.371 7 D HA 0.178 4.816 4.640 -0.003 0.000 0.242 7 D C -1.546 174.864 176.300 0.183 0.000 1.218 7 D CA -1.171 52.962 54.000 0.221 0.000 0.945 7 D CB 0.920 41.872 40.800 0.255 0.000 1.137 7 D HN 0.135 nan 8.370 nan 0.000 0.464 8 P HA 0.064 nan 4.420 nan 0.000 0.239 8 P C 0.143 177.484 177.300 0.069 0.000 1.188 8 P CA 0.365 63.523 63.100 0.097 0.000 0.794 8 P CB 0.404 32.149 31.700 0.075 0.000 0.937 9 D N -1.184 119.194 120.400 -0.036 0.000 2.378 9 D HA -0.007 4.632 4.640 -0.003 0.000 0.222 9 D C 0.523 176.604 176.300 -0.364 0.000 0.980 9 D CA 0.909 54.778 54.000 -0.220 0.000 0.907 9 D CB -0.210 40.360 40.800 -0.383 0.000 0.899 9 D HN 0.292 nan 8.370 nan 0.000 0.527 10 F N -0.046 119.982 119.950 0.130 0.000 2.735 10 F HA 0.179 4.708 4.527 0.003 0.000 0.304 10 F C 2.035 177.894 175.800 0.098 0.000 1.119 10 F CA -0.455 57.618 58.000 0.122 0.000 1.280 10 F CB 0.468 39.520 39.000 0.087 0.000 0.994 10 F HN -0.216 nan 8.300 nan 0.000 0.520 11 Q N 0.140 120.079 119.800 0.231 0.000 2.020 11 Q HA -0.179 4.160 4.340 -0.003 0.000 0.202 11 Q C 0.502 176.510 176.000 0.013 0.000 0.982 11 Q CA 1.885 57.773 55.803 0.141 0.000 0.838 11 Q CB -0.011 28.869 28.738 0.237 0.000 0.899 11 Q HN 0.478 nan 8.270 nan 0.000 0.423 12 Y N -0.143 120.194 120.300 0.063 0.000 2.756 12 Y HA 0.278 4.830 4.550 0.003 0.000 0.300 12 Y C 0.539 176.470 175.900 0.051 0.000 1.113 12 Y CA -0.117 58.002 58.100 0.032 0.000 1.291 12 Y CB 0.527 38.983 38.460 -0.006 0.000 1.175 12 Y HN 0.129 nan 8.280 nan 0.000 0.534 13 L N -1.229 120.122 121.223 0.214 0.000 2.663 13 L HA 0.546 4.884 4.340 -0.003 0.000 0.218 13 L C 0.734 177.714 176.870 0.184 0.000 1.043 13 L CA -0.025 54.961 54.840 0.243 0.000 0.876 13 L CB 0.387 42.698 42.059 0.419 0.000 1.263 13 L HN 0.082 nan 8.230 nan 0.000 0.486 14 A N 0.239 123.154 122.820 0.158 0.000 2.374 14 A HA 0.663 4.982 4.320 -0.003 0.000 0.305 14 A C -0.321 177.280 177.584 0.029 0.000 1.053 14 A CA -0.419 51.660 52.037 0.070 0.000 0.726 14 A CB 1.397 20.411 19.000 0.023 0.000 1.229 14 A HN -0.118 nan 8.150 nan 0.000 0.431 15 V N 0.688 120.604 119.914 0.003 0.000 3.894 15 V HA 0.262 4.381 4.120 -0.003 0.000 0.268 15 V C -0.146 175.937 176.094 -0.019 0.000 0.956 15 V CA -0.558 61.731 62.300 -0.018 0.000 0.843 15 V CB 0.353 32.163 31.823 -0.022 0.000 1.198 15 V HN 0.823 nan 8.190 nan 0.000 0.393 16 D N 0.429 120.815 120.400 -0.025 0.000 2.317 16 D HA 0.288 4.927 4.640 -0.003 0.000 0.234 16 D C 1.181 177.464 176.300 -0.028 0.000 1.112 16 D CA -0.567 53.418 54.000 -0.025 0.000 0.840 16 D CB 1.027 41.812 40.800 -0.024 0.000 1.078 16 D HN 0.414 nan 8.370 nan 0.000 0.486 17 R N 3.245 123.726 120.500 -0.033 0.000 2.096 17 R HA -0.155 4.183 4.340 -0.003 0.000 0.235 17 R C 1.326 177.604 176.300 -0.037 0.000 1.127 17 R CA 1.173 57.250 56.100 -0.038 0.000 0.968 17 R CB -0.449 29.825 30.300 -0.043 0.000 0.861 17 R HN 0.240 nan 8.270 nan 0.000 0.440 18 K N 1.118 121.499 120.400 -0.032 0.000 2.128 18 K HA 0.041 4.360 4.320 -0.003 0.000 0.202 18 K C 1.949 178.533 176.600 -0.026 0.000 1.050 18 K CA 0.826 57.096 56.287 -0.030 0.000 0.966 18 K CB -0.046 32.438 32.500 -0.025 0.000 0.759 18 K HN 0.111 nan 8.250 nan 0.000 0.454 19 K N 0.379 120.765 120.400 -0.024 0.000 2.148 19 K HA -0.084 4.234 4.320 -0.003 0.000 0.204 19 K C 2.301 178.888 176.600 -0.022 0.000 1.050 19 K CA 1.457 57.732 56.287 -0.021 0.000 0.942 19 K CB -0.061 32.427 32.500 -0.020 0.000 0.724 19 K HN 0.186 nan 8.250 nan 0.000 0.446 20 M N -0.303 119.282 119.600 -0.025 0.000 2.319 20 M HA -0.014 4.464 4.480 -0.003 0.000 0.265 20 M C 2.040 178.321 176.300 -0.032 0.000 1.068 20 M CA 1.465 56.750 55.300 -0.025 0.000 1.118 20 M CB -0.842 31.742 32.600 -0.027 0.000 1.395 20 M HN 0.202 nan 8.290 nan 0.000 0.435 21 M N -0.180 119.400 119.600 -0.035 0.000 2.562 21 M HA 0.089 4.568 4.480 -0.003 0.000 0.257 21 M C 1.137 177.419 176.300 -0.029 0.000 1.099 21 M CA 0.986 56.262 55.300 -0.039 0.000 1.099 21 M CB 0.075 32.651 32.600 -0.041 0.000 1.427 21 M HN 0.325 nan 8.290 nan 0.000 0.489 22 K N 1.031 121.418 120.400 -0.023 0.000 2.520 22 K HA 0.071 4.390 4.320 -0.003 0.000 0.205 22 K C 0.484 177.077 176.600 -0.012 0.000 1.035 22 K CA 0.115 56.392 56.287 -0.017 0.000 1.188 22 K CB -0.184 32.307 32.500 -0.015 0.000 0.894 22 K HN 0.420 nan 8.250 nan 0.000 0.497 23 E N 0.949 121.140 120.200 -0.014 0.000 2.351 23 E HA -0.043 4.306 4.350 -0.003 0.000 0.236 23 E C 0.033 176.630 176.600 -0.004 0.000 1.341 23 E CA 0.062 56.458 56.400 -0.008 0.000 1.579 23 E CB -0.068 29.625 29.700 -0.011 0.000 1.393 23 E HN 0.164 nan 8.360 nan 0.000 0.438 24 Q N 0.713 120.511 119.800 -0.004 0.000 2.307 24 Q HA 0.035 4.373 4.340 -0.003 0.000 0.216 24 Q C 0.290 176.294 176.000 0.007 0.000 0.931 24 Q CA 0.224 56.027 55.803 -0.000 0.000 0.953 24 Q CB 0.118 28.853 28.738 -0.005 0.000 1.006 24 Q HN 0.350 nan 8.270 nan 0.000 0.472 25 T N 0.609 115.170 114.554 0.011 0.000 3.379 25 T HA 0.100 4.449 4.350 -0.003 0.000 0.194 25 T C 0.600 175.314 174.700 0.023 0.000 0.806 25 T CA 0.242 62.351 62.100 0.015 0.000 2.531 25 T CB -0.143 68.734 68.868 0.016 0.000 1.786 25 T HN 0.381 nan 8.240 nan 0.000 0.360 26 A N 3.156 125.994 122.820 0.031 0.000 2.477 26 A HA 0.447 4.766 4.320 -0.003 0.000 0.246 26 A C -1.354 176.273 177.584 0.071 0.000 1.078 26 A CA -1.024 51.039 52.037 0.043 0.000 0.770 26 A CB -0.567 18.461 19.000 0.046 0.000 1.011 26 A HN 0.487 nan 8.150 nan 0.000 0.494 27 P HA 0.535 nan 4.420 nan 0.000 0.318 27 P C -1.005 176.418 177.300 0.205 0.000 1.309 27 P CA -0.144 63.018 63.100 0.103 0.000 0.736 27 P CB 0.421 32.155 31.700 0.056 0.000 1.440 28 F N -0.678 119.269 119.950 -0.006 0.000 2.588 28 F HA 0.313 4.838 4.527 -0.002 0.000 0.318 28 F C -1.504 174.298 175.800 0.003 0.000 1.155 28 F CA -0.788 57.211 58.000 -0.002 0.000 0.967 28 F CB 1.576 40.586 39.000 0.017 0.000 1.236 28 F HN 0.097 nan 8.300 nan 0.000 0.455 29 D N 3.223 123.242 120.400 -0.635 0.000 2.440 29 D HA 0.380 5.018 4.640 -0.003 0.000 0.239 29 D C 1.060 176.987 176.300 -0.622 0.000 1.084 29 D CA 0.021 53.768 54.000 -0.421 0.000 0.843 29 D CB 1.709 42.351 40.800 -0.265 0.000 1.097 29 D HN 0.712 nan 8.370 nan 0.000 0.531 30 G N 3.310 111.922 108.800 -0.313 0.000 2.535 30 G HA2 -0.226 3.733 3.960 -0.003 0.000 0.218 30 G HA3 -0.226 3.733 3.960 -0.003 0.000 0.218 30 G C 1.253 176.072 174.900 -0.136 0.000 1.122 30 G CA 0.515 45.536 45.100 -0.133 0.000 0.769 30 G HN 0.402 nan 8.290 nan 0.000 0.549 31 K N -0.054 120.253 120.400 -0.155 0.000 2.211 31 K HA 0.121 4.440 4.320 -0.003 0.000 0.201 31 K C 1.909 178.421 176.600 -0.147 0.000 1.052 31 K CA 0.676 56.895 56.287 -0.113 0.000 0.973 31 K CB 0.101 32.553 32.500 -0.080 0.000 0.766 31 K HN 0.099 nan 8.250 nan 0.000 0.466 32 K N 0.571 120.842 120.400 -0.215 0.000 2.365 32 K HA 0.102 4.420 4.320 -0.003 0.000 0.195 32 K C -0.053 176.401 176.600 -0.244 0.000 1.079 32 K CA 0.167 56.334 56.287 -0.200 0.000 0.979 32 K CB 0.307 32.702 32.500 -0.176 0.000 0.929 32 K HN 0.045 nan 8.250 nan 0.000 0.523 33 N N 0.053 118.528 118.700 -0.375 0.000 2.499 33 N HA 0.317 5.056 4.740 -0.003 0.000 0.281 33 N C -0.616 174.720 175.510 -0.290 0.000 1.098 33 N CA -0.439 52.395 53.050 -0.359 0.000 0.979 33 N CB 1.186 39.375 38.487 -0.497 0.000 1.121 33 N HN 0.274 nan 8.380 nan 0.000 0.466 34 C N -1.116 117.984 119.300 -0.332 0.000 3.266 34 C HA 0.634 5.093 4.460 -0.003 0.000 0.369 34 C C -1.793 172.866 174.990 -0.553 0.000 1.580 34 C CA -1.399 57.406 59.018 -0.354 0.000 1.165 34 C CB 0.072 27.705 27.740 -0.179 0.000 1.835 34 C HN 0.748 nan 8.230 nan 0.000 0.433 35 W N 0.295 121.553 121.300 -0.069 0.000 2.639 35 W HA 0.755 5.414 4.660 -0.002 0.000 0.347 35 W C -0.655 175.876 176.519 0.020 0.000 1.067 35 W CA -0.555 56.752 57.345 -0.065 0.000 1.218 35 W CB 1.999 31.287 29.460 -0.286 0.000 1.393 35 W HN 0.685 nan 8.180 nan 0.000 0.557 36 V N 1.496 121.678 119.914 0.446 0.000 2.971 36 V HA 0.396 4.515 4.120 -0.003 0.000 0.309 36 V C -2.564 173.805 176.094 0.459 0.000 1.130 36 V CA -2.872 59.643 62.300 0.358 0.000 0.964 36 V CB 1.934 33.867 31.823 0.183 0.000 1.029 36 V HN 0.284 nan 8.190 nan 0.000 0.427 37 P HA 0.215 nan 4.420 nan 0.000 0.262 37 P C -1.115 176.201 177.300 0.026 0.000 1.199 37 P CA 0.607 63.757 63.100 0.083 0.000 0.763 37 P CB 0.265 31.998 31.700 0.055 0.000 0.790 38 D N 3.828 124.187 120.400 -0.068 0.000 2.896 38 D HA 0.242 4.880 4.640 -0.003 0.000 0.241 38 D C -1.529 174.725 176.300 -0.077 0.000 1.188 38 D CA -2.090 51.893 54.000 -0.028 0.000 0.879 38 D CB 1.467 42.291 40.800 0.039 0.000 1.553 38 D HN 0.107 nan 8.370 nan 0.000 0.515 39 P HA -0.138 nan 4.420 nan 0.000 0.219 39 P C 0.936 178.208 177.300 -0.047 0.000 1.150 39 P CA 0.841 63.909 63.100 -0.054 0.000 0.814 39 P CB 0.481 32.161 31.700 -0.033 0.000 0.787 40 K N -0.417 119.968 120.400 -0.025 0.000 2.128 40 K HA 0.024 4.342 4.320 -0.003 0.000 0.202 40 K C 1.361 177.956 176.600 -0.008 0.000 1.050 40 K CA 0.887 57.166 56.287 -0.013 0.000 0.966 40 K CB 0.263 32.765 32.500 0.004 0.000 0.759 40 K HN 0.070 nan 8.250 nan 0.000 0.454 41 E N -0.363 119.839 120.200 0.003 0.000 2.569 41 E HA 0.140 4.488 4.350 -0.003 0.000 0.205 41 E C 0.879 177.473 176.600 -0.009 0.000 1.006 41 E CA 0.169 56.584 56.400 0.024 0.000 0.985 41 E CB 0.937 30.685 29.700 0.081 0.000 1.060 41 E HN 0.446 nan 8.360 nan 0.000 0.460 42 G N 1.024 109.756 108.800 -0.114 0.000 3.163 42 G HA2 -0.350 3.608 3.960 -0.003 0.000 0.227 42 G HA3 -0.350 3.608 3.960 -0.003 0.000 0.227 42 G C 0.278 174.828 174.900 -0.584 0.000 1.300 42 G CA 0.911 45.819 45.100 -0.320 0.000 0.867 42 G HN 0.284 nan 8.290 nan 0.000 0.533 43 F N 0.015 119.992 119.950 0.045 0.000 2.824 43 F HA 0.820 5.345 4.527 -0.003 0.000 0.330 43 F C 0.178 176.126 175.800 0.246 0.000 1.175 43 F CA -0.360 57.722 58.000 0.137 0.000 0.974 43 F CB 1.940 40.992 39.000 0.087 0.000 1.430 43 F HN 0.842 nan 8.300 nan 0.000 0.507 44 A N 0.864 124.062 122.820 0.630 0.000 2.485 44 A HA 0.535 4.854 4.320 -0.003 0.000 0.285 44 A C -0.736 177.003 177.584 0.259 0.000 1.045 44 A CA -0.567 51.715 52.037 0.408 0.000 0.792 44 A CB 1.073 20.205 19.000 0.220 0.000 1.307 44 A HN 0.635 nan 8.150 nan 0.000 0.406 45 S N 0.997 116.735 115.700 0.063 0.000 2.558 45 S HA 0.546 5.014 4.470 -0.003 0.000 0.287 45 S C 0.418 174.912 174.600 -0.176 0.000 1.321 45 S CA 0.912 58.880 58.200 -0.386 0.000 1.048 45 S CB 0.354 63.358 63.200 -0.327 0.000 0.844 45 S HN 2.387 nan 8.310 nan 0.000 0.512 46 A N 3.404 126.086 122.820 -0.231 0.000 2.586 46 A HA 0.650 4.969 4.320 -0.003 0.000 0.291 46 A C -1.508 175.988 177.584 -0.147 0.000 1.062 46 A CA -0.775 51.185 52.037 -0.129 0.000 0.666 46 A CB 1.015 19.974 19.000 -0.067 0.000 1.281 46 A HN 0.729 nan 8.150 nan 0.000 0.421 47 E N 0.630 120.768 120.200 -0.104 0.000 2.176 47 E HA 0.567 4.916 4.350 -0.003 0.000 0.267 47 E C -0.763 175.787 176.600 -0.083 0.000 0.893 47 E CA -0.406 55.930 56.400 -0.107 0.000 0.761 47 E CB 1.462 31.109 29.700 -0.087 0.000 1.133 47 E HN 0.535 nan 8.360 nan 0.000 0.409 48 I N 3.543 124.059 120.570 -0.091 0.000 2.634 48 I HA -0.024 4.145 4.170 -0.003 0.000 0.284 48 I C 1.075 177.159 176.117 -0.055 0.000 1.124 48 I CA -0.070 61.190 61.300 -0.066 0.000 1.417 48 I CB 0.713 38.672 38.000 -0.069 0.000 1.396 48 I HN 0.566 nan 8.210 nan 0.000 0.571 49 Q N 3.406 123.182 119.800 -0.040 0.000 2.652 49 Q HA 0.180 4.519 4.340 -0.003 0.000 0.211 49 Q C 0.441 176.424 176.000 -0.027 0.000 0.858 49 Q CA 0.582 56.365 55.803 -0.033 0.000 0.895 49 Q CB 0.399 29.121 28.738 -0.026 0.000 1.194 49 Q HN 0.823 nan 8.270 nan 0.000 0.645 50 S N 0.079 115.766 115.700 -0.022 0.000 2.667 50 S HA 0.749 5.217 4.470 -0.003 0.000 0.292 50 S C -0.591 174.000 174.600 -0.015 0.000 1.126 50 S CA -0.442 57.747 58.200 -0.018 0.000 0.881 50 S CB 2.241 65.433 63.200 -0.013 0.000 1.132 50 S HN 0.197 nan 8.310 nan 0.000 0.492 51 S N 0.110 115.802 115.700 -0.013 0.000 2.541 51 S HA 0.702 5.170 4.470 -0.003 0.000 0.280 51 S C -1.293 173.303 174.600 -0.007 0.000 1.112 51 S CA -0.950 57.244 58.200 -0.010 0.000 0.925 51 S CB 1.474 64.667 63.200 -0.011 0.000 1.067 51 S HN 0.777 nan 8.310 nan 0.000 0.479 52 K N 1.630 122.027 120.400 -0.004 0.000 2.992 52 K HA 0.482 4.800 4.320 -0.003 0.000 0.178 52 K C 0.726 177.326 176.600 -0.001 0.000 1.122 52 K CA 0.014 56.300 56.287 -0.003 0.000 0.926 52 K CB 0.585 33.084 32.500 -0.002 0.000 1.121 52 K HN 1.200 nan 8.250 nan 0.000 0.610 53 G N 2.001 110.800 108.800 -0.001 0.000 4.163 53 G HA2 -0.345 3.614 3.960 -0.003 0.000 0.300 53 G HA3 -0.345 3.614 3.960 -0.003 0.000 0.300 53 G C 0.340 175.241 174.900 0.002 0.000 1.488 53 G CA 0.166 45.267 45.100 0.001 0.000 1.052 53 G HN 0.520 nan 8.290 nan 0.000 0.687 54 E N 1.585 121.786 120.200 0.003 0.000 2.789 54 E HA 0.290 4.638 4.350 -0.003 0.000 0.208 54 E C -0.502 176.101 176.600 0.005 0.000 0.988 54 E CA -0.059 56.343 56.400 0.005 0.000 1.092 54 E CB 0.772 30.476 29.700 0.007 0.000 1.066 54 E HN 0.500 nan 8.360 nan 0.000 0.465 55 E N 1.871 122.072 120.200 0.003 0.000 2.437 55 E HA 0.207 4.555 4.350 -0.003 0.000 0.238 55 E C -0.630 175.970 176.600 0.000 0.000 0.969 55 E CA -0.433 55.968 56.400 0.003 0.000 0.759 55 E CB 1.194 30.895 29.700 0.002 0.000 1.283 55 E HN 0.092 nan 8.360 nan 0.000 0.416 56 I N 2.410 122.980 120.570 0.001 0.000 2.342 56 I HA 0.190 4.358 4.170 -0.003 0.000 0.291 56 I C 0.638 176.753 176.117 -0.003 0.000 1.010 56 I CA -0.278 61.020 61.300 -0.004 0.000 1.308 56 I CB 0.971 38.968 38.000 -0.005 0.000 1.400 56 I HN 0.144 nan 8.210 nan 0.000 0.488 57 T N 6.545 121.094 114.554 -0.008 0.000 2.829 57 T HA 0.690 5.038 4.350 -0.003 0.000 0.282 57 T C 0.197 174.889 174.700 -0.013 0.000 0.990 57 T CA -0.497 61.598 62.100 -0.007 0.000 1.028 57 T CB 1.964 70.827 68.868 -0.008 0.000 0.951 57 T HN 0.494 nan 8.240 nan 0.000 0.460 58 V N 0.209 120.116 119.914 -0.011 0.000 3.167 58 V HA 0.797 4.915 4.120 -0.003 0.000 0.310 58 V C -1.021 175.064 176.094 -0.016 0.000 1.207 58 V CA -1.272 61.016 62.300 -0.019 0.000 1.059 58 V CB 2.228 34.039 31.823 -0.021 0.000 1.079 58 V HN 0.754 nan 8.190 nan 0.000 0.446 59 K N 1.146 121.532 120.400 -0.023 0.000 2.443 59 K HA 0.633 4.951 4.320 -0.003 0.000 0.252 59 K C -1.477 175.110 176.600 -0.020 0.000 0.933 59 K CA -0.857 55.420 56.287 -0.018 0.000 0.792 59 K CB 1.779 34.266 32.500 -0.021 0.000 1.185 59 K HN 0.697 nan 8.250 nan 0.000 0.425 60 I N 5.040 125.606 120.570 -0.007 0.000 2.379 60 I HA 0.012 4.180 4.170 -0.003 0.000 0.290 60 I C 1.691 177.805 176.117 -0.005 0.000 1.063 60 I CA -0.130 61.169 61.300 -0.001 0.000 1.351 60 I CB 0.552 38.563 38.000 0.019 0.000 1.410 60 I HN 0.502 nan 8.210 nan 0.000 0.505 61 V N 5.017 124.922 119.914 -0.016 0.000 2.370 61 V HA -0.321 3.798 4.120 -0.003 0.000 0.252 61 V C 2.389 178.486 176.094 0.005 0.000 1.068 61 V CA 2.462 64.756 62.300 -0.011 0.000 1.061 61 V CB -0.796 31.016 31.823 -0.018 0.000 0.656 61 V HN 0.985 nan 8.190 nan 0.000 0.455 62 S N 2.209 117.919 115.700 0.017 0.000 2.329 62 S HA -0.202 4.266 4.470 -0.003 0.000 0.215 62 S C 1.507 176.118 174.600 0.018 0.000 1.031 62 S CA 1.547 59.762 58.200 0.025 0.000 0.985 62 S CB -0.613 62.610 63.200 0.039 0.000 0.917 62 S HN 0.768 nan 8.310 nan 0.000 0.441 63 D N -0.056 120.355 120.400 0.018 0.000 2.340 63 D HA 0.203 4.841 4.640 -0.003 0.000 0.217 63 D C 0.371 176.676 176.300 0.008 0.000 1.081 63 D CA -0.242 53.766 54.000 0.014 0.000 0.842 63 D CB -0.811 39.998 40.800 0.016 0.000 0.934 63 D HN 0.274 nan 8.370 nan 0.000 0.511 64 N N 0.189 118.892 118.700 0.005 0.000 2.686 64 N HA -0.212 4.526 4.740 -0.003 0.000 0.249 64 N C -0.325 175.185 175.510 0.000 0.000 1.082 64 N CA 1.073 54.123 53.050 0.000 0.000 0.725 64 N CB -1.030 37.457 38.487 -0.001 0.000 1.009 64 N HN 0.631 nan 8.380 nan 0.000 0.545 65 S N -2.122 113.579 115.700 0.003 0.000 2.666 65 S HA 0.683 5.151 4.470 -0.003 0.000 0.279 65 S C 0.334 174.935 174.600 0.001 0.000 1.149 65 S CA -0.306 57.896 58.200 0.003 0.000 1.020 65 S CB 1.929 65.134 63.200 0.007 0.000 1.127 65 S HN 0.095 nan 8.310 nan 0.000 0.537 66 T N 1.237 115.792 114.554 0.002 0.000 2.886 66 T HA 0.730 5.079 4.350 -0.003 0.000 0.292 66 T C -0.751 173.951 174.700 0.005 0.000 1.012 66 T CA -0.828 61.273 62.100 0.001 0.000 0.982 66 T CB 1.285 70.152 68.868 -0.002 0.000 1.018 66 T HN 0.859 nan 8.240 nan 0.000 0.451 67 R N 0.263 120.767 120.500 0.006 0.000 2.764 67 R HA 0.814 5.152 4.340 -0.003 0.000 0.270 67 R C -1.410 174.895 176.300 0.009 0.000 1.014 67 R CA -1.041 55.065 56.100 0.010 0.000 0.904 67 R CB 1.055 31.365 30.300 0.016 0.000 1.236 67 R HN 0.418 nan 8.270 nan 0.000 0.466 68 T N 1.335 115.896 114.554 0.011 0.000 2.797 68 T HA 0.552 4.901 4.350 -0.003 0.000 0.279 68 T C -0.695 174.015 174.700 0.016 0.000 0.991 68 T CA -0.685 61.421 62.100 0.010 0.000 0.979 68 T CB 1.518 70.391 68.868 0.007 0.000 0.943 68 T HN 0.559 nan 8.240 nan 0.000 0.444 69 V N 0.785 120.710 119.914 0.018 0.000 2.888 69 V HA 0.679 4.797 4.120 -0.003 0.000 0.309 69 V C -0.571 175.537 176.094 0.022 0.000 1.114 69 V CA -1.319 60.996 62.300 0.026 0.000 0.940 69 V CB 1.816 33.663 31.823 0.040 0.000 1.021 69 V HN 0.701 nan 8.190 nan 0.000 0.426 70 K N 2.021 122.436 120.400 0.024 0.000 2.319 70 K HA 0.224 4.543 4.320 -0.003 0.000 0.265 70 K C 1.094 177.707 176.600 0.021 0.000 1.000 70 K CA 0.157 56.456 56.287 0.020 0.000 0.943 70 K CB 0.672 33.184 32.500 0.020 0.000 0.950 70 K HN 0.866 nan 8.250 nan 0.000 0.485 71 K N 1.743 122.152 120.400 0.014 0.000 2.442 71 K HA -0.140 4.178 4.320 -0.003 0.000 0.198 71 K C 0.082 176.690 176.600 0.014 0.000 1.042 71 K CA 1.526 57.819 56.287 0.010 0.000 0.958 71 K CB 0.212 32.714 32.500 0.004 0.000 0.766 71 K HN 0.554 nan 8.250 nan 0.000 0.474 72 D N 0.063 120.476 120.400 0.021 0.000 2.346 72 D HA -0.079 4.559 4.640 -0.003 0.000 0.206 72 D C 0.706 177.029 176.300 0.039 0.000 1.001 72 D CA 0.351 54.366 54.000 0.025 0.000 0.871 72 D CB 0.102 40.916 40.800 0.024 0.000 0.943 72 D HN 0.172 nan 8.370 nan 0.000 0.518 73 D N 0.690 121.120 120.400 0.050 0.000 2.348 73 D HA 0.130 4.768 4.640 -0.003 0.000 0.211 73 D C 0.896 177.261 176.300 0.108 0.000 0.998 73 D CA -0.024 54.025 54.000 0.082 0.000 0.873 73 D CB 0.939 41.789 40.800 0.083 0.000 0.925 73 D HN 0.272 nan 8.370 nan 0.000 0.524 74 I N 1.420 122.031 120.570 0.068 0.000 2.529 74 I HA 0.036 4.204 4.170 -0.003 0.000 0.284 74 I C 0.560 176.692 176.117 0.025 0.000 1.082 74 I CA 0.111 61.445 61.300 0.058 0.000 1.406 74 I CB 0.691 38.701 38.000 0.017 0.000 1.405 74 I HN -0.319 nan 8.210 nan 0.000 0.548 75 Q N 4.971 124.784 119.800 0.022 0.000 2.377 75 Q HA 0.326 4.665 4.340 -0.003 0.000 0.271 75 Q C -0.941 175.039 176.000 -0.033 0.000 1.077 75 Q CA -1.071 54.711 55.803 -0.036 0.000 0.820 75 Q CB 2.248 30.911 28.738 -0.126 0.000 1.347 75 Q HN 0.436 nan 8.270 nan 0.000 0.444 76 Q N 1.533 121.230 119.800 -0.172 0.000 2.349 76 Q HA 0.063 4.401 4.340 -0.003 0.000 0.287 76 Q C -0.580 175.371 176.000 -0.081 0.000 1.044 76 Q CA 0.842 56.404 55.803 -0.403 0.000 0.918 76 Q CB 0.653 28.702 28.738 -1.149 0.000 1.242 76 Q HN 0.576 nan 8.270 nan 0.000 0.405 77 M N 2.619 122.198 119.600 -0.035 0.000 2.404 77 M HA 0.271 4.750 4.480 -0.003 0.000 0.338 77 M C -0.450 176.125 176.300 0.459 0.000 1.150 77 M CA -0.534 54.931 55.300 0.275 0.000 1.016 77 M CB 1.195 33.830 32.600 0.059 0.000 1.672 77 M HN 0.435 nan 8.290 nan 0.000 0.448 78 N N 3.964 122.896 118.700 0.387 0.000 2.518 78 N HA 0.437 5.175 4.740 -0.003 0.000 0.283 78 N C -2.560 172.859 175.510 -0.152 0.000 1.119 78 N CA -1.047 52.146 53.050 0.238 0.000 0.983 78 N CB 1.117 39.695 38.487 0.151 0.000 1.139 78 N HN 0.383 nan 8.380 nan 0.000 0.465 79 P HA 0.141 nan 4.420 nan 0.000 0.271 79 P C -1.736 175.325 177.300 -0.399 0.000 1.233 79 P CA -0.811 61.902 63.100 -0.645 0.000 0.789 79 P CB 0.240 31.921 31.700 -0.032 0.000 0.951 80 P HA -0.194 nan 4.420 nan 0.000 0.216 80 P C 1.158 178.367 177.300 -0.153 0.000 1.150 80 P CA 1.816 64.787 63.100 -0.215 0.000 0.837 80 P CB -0.278 31.334 31.700 -0.147 0.000 0.786 81 K N -0.945 119.312 120.400 -0.238 0.000 2.520 81 K HA -0.111 4.208 4.320 -0.003 0.000 0.197 81 K C 0.817 177.180 176.600 -0.395 0.000 1.043 81 K CA 1.301 57.386 56.287 -0.336 0.000 0.944 81 K CB -0.994 31.228 32.500 -0.463 0.000 0.770 81 K HN 0.175 nan 8.250 nan 0.000 0.480 82 F N 1.885 121.796 119.950 -0.066 0.000 2.641 82 F HA 0.216 4.741 4.527 -0.003 0.000 0.302 82 F C 0.334 176.123 175.800 -0.018 0.000 1.098 82 F CA -0.745 57.234 58.000 -0.034 0.000 1.318 82 F CB 0.328 39.312 39.000 -0.028 0.000 1.035 82 F HN -0.064 nan 8.300 nan 0.000 0.551 83 E N 1.423 121.681 120.200 0.098 0.000 2.392 83 E HA 0.010 4.358 4.350 -0.003 0.000 0.264 83 E C 0.280 176.919 176.600 0.066 0.000 1.024 83 E CA -0.037 56.408 56.400 0.075 0.000 0.903 83 E CB 0.471 30.191 29.700 0.034 0.000 0.963 83 E HN 0.193 nan 8.360 nan 0.000 0.432 84 K N 0.902 121.341 120.400 0.065 0.000 3.278 84 K HA -0.232 4.086 4.320 -0.003 0.000 0.270 84 K C -0.179 176.458 176.600 0.062 0.000 0.955 84 K CA -0.045 56.273 56.287 0.052 0.000 0.723 84 K CB -1.165 31.353 32.500 0.031 0.000 1.382 84 K HN 0.258 nan 8.250 nan 0.000 0.461 85 L N 1.390 122.667 121.223 0.090 0.000 2.426 85 L HA 0.017 4.355 4.340 -0.003 0.000 0.271 85 L C 1.591 178.515 176.870 0.091 0.000 1.169 85 L CA 0.523 55.431 54.840 0.113 0.000 0.836 85 L CB 0.749 42.905 42.059 0.161 0.000 1.112 85 L HN 0.196 nan 8.230 nan 0.000 0.465 86 E N 1.560 121.818 120.200 0.097 0.000 2.107 86 E HA -0.079 4.270 4.350 -0.003 0.000 0.191 86 E C -0.259 176.437 176.600 0.160 0.000 0.982 86 E CA 0.779 57.234 56.400 0.091 0.000 0.809 86 E CB 0.226 29.987 29.700 0.102 0.000 0.756 86 E HN 0.565 nan 8.360 nan 0.000 0.459 87 D N -0.024 120.493 120.400 0.196 0.000 2.440 87 D HA 0.152 4.790 4.640 -0.003 0.000 0.252 87 D C 0.574 176.965 176.300 0.151 0.000 1.180 87 D CA -0.248 53.894 54.000 0.237 0.000 0.894 87 D CB 0.824 41.766 40.800 0.237 0.000 1.111 87 D HN -0.115 nan 8.370 nan 0.000 0.544 88 M N 1.897 121.577 119.600 0.133 0.000 2.706 88 M HA -0.074 4.404 4.480 -0.003 0.000 0.253 88 M C 1.512 177.843 176.300 0.052 0.000 1.063 88 M CA 0.563 55.909 55.300 0.077 0.000 1.067 88 M CB 0.050 32.691 32.600 0.069 0.000 1.423 88 M HN 0.394 nan 8.290 nan 0.000 0.530 89 A N 0.099 122.961 122.820 0.071 0.000 2.218 89 A HA 0.025 4.343 4.320 -0.003 0.000 0.209 89 A C 1.526 179.121 177.584 0.018 0.000 1.168 89 A CA 0.581 52.642 52.037 0.041 0.000 0.804 89 A CB -0.226 18.799 19.000 0.042 0.000 0.834 89 A HN 0.436 nan 8.150 nan 0.000 0.482 90 N N -0.391 118.326 118.700 0.028 0.000 2.325 90 N HA 0.129 4.867 4.740 -0.003 0.000 0.182 90 N C 0.209 175.676 175.510 -0.072 0.000 1.088 90 N CA 0.162 53.229 53.050 0.028 0.000 0.879 90 N CB -0.096 38.453 38.487 0.103 0.000 0.983 90 N HN 0.478 nan 8.380 nan 0.000 0.471 91 M N 0.891 120.390 119.600 -0.168 0.000 2.252 91 M HA -0.005 4.474 4.480 -0.003 0.000 0.348 91 M C 1.435 177.459 176.300 -0.460 0.000 1.334 91 M CA 0.304 55.324 55.300 -0.467 0.000 1.071 91 M CB 0.436 32.859 32.600 -0.295 0.000 1.763 91 M HN -0.035 nan 8.290 nan 0.000 0.452 92 T N 1.917 116.007 114.554 -0.774 0.000 2.597 92 T HA -0.171 4.178 4.350 -0.003 0.000 0.267 92 T C -0.018 174.405 174.700 -0.462 0.000 1.053 92 T CA 1.713 63.478 62.100 -0.558 0.000 1.165 92 T CB -0.200 68.287 68.868 -0.635 0.000 0.863 92 T HN 0.437 nan 8.240 nan 0.000 0.427 93 Y N 0.485 120.676 120.300 -0.182 0.000 2.335 93 Y HA 0.548 5.097 4.550 -0.003 0.000 0.339 93 Y C -0.266 175.573 175.900 -0.102 0.000 0.987 93 Y CA -1.775 56.274 58.100 -0.084 0.000 1.140 93 Y CB 0.901 39.349 38.460 -0.020 0.000 1.173 93 Y HN 0.011 nan 8.280 nan 0.000 0.486 94 L N 6.399 127.665 121.223 0.073 0.000 2.387 94 L HA 0.471 4.809 4.340 -0.003 0.000 0.259 94 L C -0.995 175.882 176.870 0.012 0.000 1.050 94 L CA -0.363 54.486 54.840 0.015 0.000 0.922 94 L CB -0.655 41.406 42.059 0.004 0.000 1.280 94 L HN 0.819 nan 8.230 nan 0.000 0.449 95 N N 0.048 118.734 118.700 -0.022 0.000 3.102 95 N HA 0.384 5.123 4.740 -0.003 0.000 0.299 95 N C 0.340 175.781 175.510 -0.115 0.000 1.482 95 N CA -0.759 52.256 53.050 -0.058 0.000 0.785 95 N CB 0.483 38.929 38.487 -0.068 0.000 1.680 95 N HN 0.198 nan 8.380 nan 0.000 0.594 96 E N -0.396 119.740 120.200 -0.107 0.000 2.033 96 E HA -0.286 4.063 4.350 -0.003 0.000 0.199 96 E C 1.728 178.198 176.600 -0.216 0.000 1.011 96 E CA 2.062 58.420 56.400 -0.069 0.000 0.815 96 E CB -0.427 29.325 29.700 0.086 0.000 0.755 96 E HN 0.636 nan 8.360 nan 0.000 0.451 97 A N 1.050 123.484 122.820 -0.643 0.000 2.015 97 A HA -0.162 4.157 4.320 -0.003 0.000 0.219 97 A C 2.251 179.259 177.584 -0.960 0.000 1.163 97 A CA 1.804 53.145 52.037 -1.160 0.000 0.646 97 A CB -0.415 17.410 19.000 -1.958 0.000 0.806 97 A HN 0.335 nan 8.150 nan 0.000 0.448 98 S N -1.152 114.214 115.700 -0.556 0.000 2.470 98 S HA 0.018 4.487 4.470 -0.003 0.000 0.225 98 S C 1.592 176.078 174.600 -0.190 0.000 1.006 98 S CA 0.998 59.012 58.200 -0.311 0.000 0.934 98 S CB -0.258 62.885 63.200 -0.096 0.000 0.778 98 S HN 0.186 nan 8.310 nan 0.000 0.517 99 V N 1.619 121.432 119.914 -0.168 0.000 2.446 99 V HA 0.038 4.156 4.120 -0.003 0.000 0.244 99 V C 2.371 178.404 176.094 -0.101 0.000 1.039 99 V CA 1.281 63.526 62.300 -0.093 0.000 1.045 99 V CB -0.606 31.180 31.823 -0.061 0.000 0.681 99 V HN 0.497 nan 8.190 nan 0.000 0.459 100 L N 1.227 122.370 121.223 -0.132 0.000 1.989 100 L HA -0.215 4.123 4.340 -0.003 0.000 0.211 100 L C 2.250 179.050 176.870 -0.116 0.000 1.071 100 L CA 2.417 57.196 54.840 -0.101 0.000 0.749 100 L CB -1.121 40.901 42.059 -0.062 0.000 0.890 100 L HN 0.407 nan 8.230 nan 0.000 0.431 101 N N -0.242 118.326 118.700 -0.220 0.000 2.084 101 N HA -0.274 4.465 4.740 -0.003 0.000 0.190 101 N C 1.784 177.275 175.510 -0.033 0.000 1.030 101 N CA 1.742 54.694 53.050 -0.163 0.000 0.849 101 N CB -0.336 37.951 38.487 -0.333 0.000 1.012 101 N HN 0.519 nan 8.380 nan 0.000 0.423 102 N N 0.673 119.354 118.700 -0.031 0.000 2.188 102 N HA -0.027 4.712 4.740 -0.003 0.000 0.184 102 N C 2.010 177.533 175.510 0.021 0.000 1.018 102 N CA 0.701 53.761 53.050 0.017 0.000 0.858 102 N CB -0.226 38.273 38.487 0.020 0.000 0.989 102 N HN 0.277 nan 8.380 nan 0.000 0.426 103 L N -0.003 121.219 121.223 -0.001 0.000 2.005 103 L HA -0.052 4.287 4.340 -0.003 0.000 0.207 103 L C 2.678 179.575 176.870 0.045 0.000 1.072 103 L CA 0.935 55.776 54.840 0.001 0.000 0.744 103 L CB -0.473 41.563 42.059 -0.038 0.000 0.895 103 L HN 0.199 nan 8.230 nan 0.000 0.433 104 R N 0.218 120.745 120.500 0.045 0.000 2.096 104 R HA -0.185 4.153 4.340 -0.003 0.000 0.240 104 R C 2.130 178.501 176.300 0.117 0.000 1.139 104 R CA 1.758 57.920 56.100 0.104 0.000 0.952 104 R CB -0.670 29.671 30.300 0.068 0.000 0.854 104 R HN 0.462 nan 8.270 nan 0.000 0.436 105 G N 0.727 109.574 108.800 0.078 0.000 2.587 105 G HA2 -0.321 3.638 3.960 -0.003 0.000 0.217 105 G HA3 -0.321 3.638 3.960 -0.003 0.000 0.217 105 G C 1.451 176.390 174.900 0.066 0.000 1.240 105 G CA 1.108 46.250 45.100 0.070 0.000 0.794 105 G HN 0.353 nan 8.290 nan 0.000 0.580 106 R N -0.985 119.554 120.500 0.064 0.000 2.105 106 R HA -0.109 4.230 4.340 -0.003 0.000 0.239 106 R C 2.332 178.688 176.300 0.093 0.000 1.135 106 R CA 1.470 57.603 56.100 0.056 0.000 0.967 106 R CB -0.606 29.718 30.300 0.041 0.000 0.861 106 R HN 0.607 nan 8.270 nan 0.000 0.442 107 Y N 1.406 121.688 120.300 -0.030 0.000 2.070 107 Y HA -0.277 4.270 4.550 -0.004 0.000 0.280 107 Y C 2.585 178.479 175.900 -0.010 0.000 1.148 107 Y CA 1.749 59.831 58.100 -0.030 0.000 1.125 107 Y CB -0.242 38.202 38.460 -0.028 0.000 0.975 107 Y HN 0.169 nan 8.280 nan 0.000 0.492 108 T N -1.561 112.965 114.554 -0.048 0.000 3.118 108 T HA -0.046 4.303 4.350 -0.003 0.000 0.269 108 T C 1.049 175.676 174.700 -0.122 0.000 1.166 108 T CA 0.742 62.751 62.100 -0.151 0.000 1.073 108 T CB -0.447 68.397 68.868 -0.040 0.000 0.884 108 T HN 0.400 nan 8.240 nan 0.000 0.550 109 A N -0.573 122.195 122.820 -0.087 0.000 2.538 109 A HA 0.732 5.050 4.320 -0.003 0.000 0.269 109 A C 1.806 179.321 177.584 -0.115 0.000 1.231 109 A CA 0.298 52.282 52.037 -0.087 0.000 0.948 109 A CB -0.468 18.502 19.000 -0.050 0.000 1.110 109 A HN 1.142 nan 8.150 nan 0.000 0.529 110 G N -0.346 108.394 108.800 -0.099 0.000 2.299 110 G HA2 -0.231 3.727 3.960 -0.003 0.000 0.237 110 G HA3 -0.231 3.727 3.960 -0.003 0.000 0.237 110 G C 0.223 175.178 174.900 0.091 0.000 1.027 110 G CA 0.156 45.255 45.100 -0.003 0.000 0.619 110 G HN 0.592 nan 8.290 nan 0.000 0.513 111 L N 2.109 123.352 121.223 0.034 0.000 2.360 111 L HA 0.486 4.825 4.340 -0.003 0.000 0.276 111 L C 1.916 178.781 176.870 -0.008 0.000 1.121 111 L CA -0.026 54.827 54.840 0.022 0.000 0.845 111 L CB 0.624 42.691 42.059 0.013 0.000 1.143 111 L HN 0.398 nan 8.230 nan 0.000 0.452 112 I N -1.339 119.113 120.570 -0.196 0.000 4.018 112 I HA 0.165 4.334 4.170 -0.003 0.000 0.337 112 I C -0.348 175.391 176.117 -0.630 0.000 1.327 112 I CA -0.132 60.934 61.300 -0.391 0.000 1.100 112 I CB 0.186 37.859 38.000 -0.544 0.000 1.025 112 I HN 0.320 nan 8.210 nan 0.000 0.396 113 Y N 2.348 122.560 120.300 -0.147 0.000 2.328 113 Y HA 0.605 5.152 4.550 -0.005 0.000 0.337 113 Y C -0.111 175.662 175.900 -0.213 0.000 0.966 113 Y CA -1.092 56.884 58.100 -0.206 0.000 1.136 113 Y CB 1.668 39.935 38.460 -0.320 0.000 1.170 113 Y HN -0.041 nan 8.280 nan 0.000 0.470 114 T N 2.736 117.274 114.554 -0.027 0.000 2.921 114 T HA 0.464 4.812 4.350 -0.003 0.000 0.297 114 T C -1.044 173.662 174.700 0.010 0.000 1.013 114 T CA -0.890 61.169 62.100 -0.069 0.000 0.990 114 T CB 0.959 69.823 68.868 -0.007 0.000 1.023 114 T HN 0.161 nan 8.240 nan 0.000 0.447 115 Y N 1.143 121.521 120.300 0.129 0.000 2.334 115 Y HA 0.645 5.194 4.550 -0.003 0.000 0.325 115 Y C 1.207 177.185 175.900 0.131 0.000 1.308 115 Y CA -1.234 56.951 58.100 0.141 0.000 1.389 115 Y CB 1.297 39.833 38.460 0.126 0.000 1.328 115 Y HN 0.719 nan 8.280 nan 0.000 0.532 116 S N 0.277 116.190 115.700 0.354 0.000 2.753 116 S HA 0.478 4.947 4.470 -0.003 0.000 0.147 116 S C -0.080 174.646 174.600 0.210 0.000 0.980 116 S CA 0.308 58.657 58.200 0.249 0.000 1.044 116 S CB -0.904 62.444 63.200 0.248 0.000 1.715 116 S HN 1.506 nan 8.310 nan 0.000 0.515 117 G N 2.771 111.643 108.800 0.120 0.000 2.848 117 G HA2 -0.218 3.740 3.960 -0.003 0.000 0.246 117 G HA3 -0.218 3.740 3.960 -0.003 0.000 0.246 117 G C 0.416 175.304 174.900 -0.021 0.000 1.374 117 G CA 0.033 45.141 45.100 0.013 0.000 0.982 117 G HN 0.866 nan 8.290 nan 0.000 0.563 118 L N 0.776 121.937 121.223 -0.105 0.000 2.416 118 L HA 0.387 4.726 4.340 -0.003 0.000 0.216 118 L C 1.292 178.248 176.870 0.144 0.000 1.098 118 L CA -0.079 54.751 54.840 -0.017 0.000 0.840 118 L CB -0.142 41.894 42.059 -0.038 0.000 0.981 118 L HN 0.270 nan 8.230 nan 0.000 0.462 119 F N -0.165 119.910 119.950 0.209 0.000 2.518 119 F HA 0.007 4.532 4.527 -0.003 0.000 0.359 119 F C 0.563 176.522 175.800 0.266 0.000 1.118 119 F CA -0.497 57.624 58.000 0.201 0.000 1.287 119 F CB 0.745 39.793 39.000 0.080 0.000 1.132 119 F HN -0.047 nan 8.300 nan 0.000 0.587 120 C N 7.057 126.660 119.300 0.504 0.000 2.321 120 C HA 0.578 5.037 4.460 -0.003 0.000 0.323 120 C C -0.056 175.094 174.990 0.267 0.000 1.191 120 C CA -0.888 58.382 59.018 0.421 0.000 1.455 120 C CB -1.299 26.674 27.740 0.388 0.000 2.083 120 C HN 0.672 nan 8.230 nan 0.000 0.442 121 I N 5.185 125.872 120.570 0.196 0.000 2.428 121 I HA 0.494 4.662 4.170 -0.003 0.000 0.289 121 I C 0.644 176.811 176.117 0.083 0.000 1.019 121 I CA 0.427 61.775 61.300 0.080 0.000 1.351 121 I CB 1.211 39.221 38.000 0.016 0.000 1.412 121 I HN 0.767 nan 8.210 nan 0.000 0.513 122 A N 6.628 129.463 122.820 0.026 0.000 2.332 122 A HA 0.691 5.009 4.320 -0.003 0.000 0.300 122 A C -0.841 176.643 177.584 -0.168 0.000 1.153 122 A CA -0.497 51.519 52.037 -0.035 0.000 0.764 122 A CB 0.975 20.052 19.000 0.128 0.000 1.174 122 A HN 0.414 nan 8.150 nan 0.000 0.467 123 V N 3.007 122.744 119.914 -0.294 0.000 2.427 123 V HA 0.231 4.349 4.120 -0.003 0.000 0.286 123 V C 0.544 176.417 176.094 -0.368 0.000 1.034 123 V CA -1.055 61.015 62.300 -0.384 0.000 0.893 123 V CB 1.452 32.900 31.823 -0.625 0.000 0.982 123 V HN 0.890 nan 8.190 nan 0.000 0.452 124 N N 7.376 125.868 118.700 -0.347 0.000 2.417 124 N HA 0.037 4.775 4.740 -0.003 0.000 0.272 124 N C -1.098 174.276 175.510 -0.227 0.000 1.304 124 N CA -1.215 51.609 53.050 -0.376 0.000 0.906 124 N CB 1.382 39.501 38.487 -0.614 0.000 1.135 124 N HN 0.421 nan 8.380 nan 0.000 0.483 125 P HA -0.098 nan 4.420 nan 0.000 0.220 125 P C -0.355 177.067 177.300 0.202 0.000 1.152 125 P CA 0.689 63.883 63.100 0.156 0.000 0.812 125 P CB 0.114 31.850 31.700 0.060 0.000 0.792 126 Y N 0.122 120.464 120.300 0.071 0.000 3.477 126 Y HA -0.241 4.307 4.550 -0.003 0.000 0.216 126 Y C 0.481 176.397 175.900 0.028 0.000 1.296 126 Y CA 0.888 59.015 58.100 0.046 0.000 1.535 126 Y CB -2.294 36.202 38.460 0.060 0.000 1.482 126 Y HN 0.351 nan 8.280 nan 0.000 0.597 127 R N -1.051 119.520 120.500 0.118 0.000 4.167 127 R HA 0.437 4.775 4.340 -0.003 0.000 0.253 127 R C -1.000 175.309 176.300 0.014 0.000 1.057 127 R CA -1.209 54.929 56.100 0.063 0.000 1.305 127 R CB 0.792 31.127 30.300 0.058 0.000 1.245 127 R HN -0.090 nan 8.270 nan 0.000 0.550 128 R N 2.824 123.323 120.500 -0.001 0.000 2.638 128 R HA 0.215 4.554 4.340 -0.003 0.000 0.268 128 R C -0.158 176.115 176.300 -0.045 0.000 1.006 128 R CA 0.173 56.264 56.100 -0.016 0.000 1.088 128 R CB 0.009 30.297 30.300 -0.020 0.000 0.950 128 R HN 0.587 nan 8.270 nan 0.000 0.419 129 L N 3.523 124.738 121.223 -0.014 0.000 2.388 129 L HA 0.341 4.680 4.340 -0.003 0.000 0.264 129 L C -1.567 175.280 176.870 -0.038 0.000 0.998 129 L CA -2.079 52.677 54.840 -0.140 0.000 0.817 129 L CB 2.301 44.229 42.059 -0.219 0.000 1.338 129 L HN 0.311 nan 8.230 nan 0.000 0.414 130 P HA 0.012 nan 4.420 nan 0.000 0.242 130 P C 1.222 178.534 177.300 0.020 0.000 1.198 130 P CA 0.728 63.809 63.100 -0.031 0.000 0.756 130 P CB 0.064 31.730 31.700 -0.057 0.000 0.911 131 I N -2.758 117.799 120.570 -0.022 0.000 2.394 131 I HA -0.189 3.979 4.170 -0.003 0.000 0.251 131 I C 0.798 176.846 176.117 -0.114 0.000 1.136 131 I CA 1.207 62.422 61.300 -0.141 0.000 1.425 131 I CB -0.817 36.915 38.000 -0.446 0.000 1.079 131 I HN -0.026 nan 8.210 nan 0.000 0.425 132 Y N 2.091 122.439 120.300 0.079 0.000 2.718 132 Y HA 0.196 4.746 4.550 -0.001 0.000 0.322 132 Y C 1.388 177.478 175.900 0.316 0.000 1.122 132 Y CA -1.004 57.271 58.100 0.292 0.000 1.348 132 Y CB -1.311 37.322 38.460 0.288 0.000 1.174 132 Y HN 0.067 nan 8.280 nan 0.000 0.523 133 T N -3.964 110.783 114.554 0.321 0.000 2.849 133 T HA 0.086 4.434 4.350 -0.003 0.000 0.284 133 T C 1.047 175.838 174.700 0.152 0.000 1.004 133 T CA -0.613 61.602 62.100 0.192 0.000 1.021 133 T CB 1.234 70.169 68.868 0.112 0.000 1.013 133 T HN 0.236 nan 8.240 nan 0.000 0.527 134 D N 0.552 120.996 120.400 0.074 0.000 2.221 134 D HA -0.117 4.522 4.640 -0.003 0.000 0.204 134 D C 2.028 178.340 176.300 0.021 0.000 0.982 134 D CA 1.281 55.291 54.000 0.016 0.000 0.857 134 D CB -0.075 40.722 40.800 -0.005 0.000 0.934 134 D HN 0.618 nan 8.370 nan 0.000 0.475 135 S N -0.116 115.607 115.700 0.039 0.000 2.371 135 S HA -0.094 4.374 4.470 -0.003 0.000 0.224 135 S C 2.174 176.801 174.600 0.045 0.000 1.029 135 S CA 0.644 58.862 58.200 0.030 0.000 0.978 135 S CB -0.088 63.124 63.200 0.020 0.000 0.833 135 S HN 0.008 nan 8.310 nan 0.000 0.466 136 V N 2.587 122.548 119.914 0.079 0.000 2.261 136 V HA -0.154 3.964 4.120 -0.003 0.000 0.246 136 V C 2.315 178.549 176.094 0.235 0.000 1.047 136 V CA 1.991 64.369 62.300 0.129 0.000 1.015 136 V CB -0.724 31.197 31.823 0.162 0.000 0.642 136 V HN 0.528 nan 8.190 nan 0.000 0.446 137 I N 0.841 121.518 120.570 0.177 0.000 2.145 137 I HA -0.348 3.820 4.170 -0.003 0.000 0.244 137 I C 2.693 178.880 176.117 0.118 0.000 1.075 137 I CA 1.817 63.163 61.300 0.077 0.000 1.332 137 I CB -0.803 37.068 38.000 -0.215 0.000 1.033 137 I HN 0.334 nan 8.210 nan 0.000 0.410 138 A N 0.654 123.511 122.820 0.062 0.000 1.986 138 A HA -0.234 4.085 4.320 -0.003 0.000 0.220 138 A C 2.322 179.965 177.584 0.099 0.000 1.171 138 A CA 1.741 53.809 52.037 0.052 0.000 0.640 138 A CB -0.446 18.572 19.000 0.030 0.000 0.811 138 A HN 0.418 nan 8.150 nan 0.000 0.451 139 K N -2.006 118.483 120.400 0.149 0.000 2.167 139 K HA -0.033 4.285 4.320 -0.003 0.000 0.203 139 K C 1.465 178.123 176.600 0.097 0.000 1.052 139 K CA 1.181 57.549 56.287 0.134 0.000 0.956 139 K CB -0.179 32.402 32.500 0.134 0.000 0.735 139 K HN 0.605 nan 8.250 nan 0.000 0.451 140 Y N 1.193 121.574 120.300 0.136 0.000 2.544 140 Y HA 0.052 4.601 4.550 -0.001 0.000 0.286 140 Y C 0.665 176.658 175.900 0.155 0.000 1.141 140 Y CA 0.093 58.283 58.100 0.150 0.000 1.299 140 Y CB 0.092 38.636 38.460 0.140 0.000 1.030 140 Y HN -0.191 nan 8.280 nan 0.000 0.543 141 R N 0.841 121.492 120.500 0.252 0.000 2.504 141 R HA -0.007 4.332 4.340 -0.003 0.000 0.291 141 R C 1.218 177.598 176.300 0.133 0.000 0.974 141 R CA 0.963 57.173 56.100 0.183 0.000 1.077 141 R CB -0.297 30.059 30.300 0.094 0.000 0.926 141 R HN 0.591 nan 8.270 nan 0.000 0.407 142 G N 3.106 111.990 108.800 0.141 0.000 2.296 142 G HA2 -0.296 3.662 3.960 -0.003 0.000 0.282 142 G HA3 -0.296 3.662 3.960 -0.003 0.000 0.282 142 G C -0.113 174.833 174.900 0.077 0.000 1.014 142 G CA 0.507 45.669 45.100 0.104 0.000 0.812 142 G HN 0.435 nan 8.290 nan 0.000 0.508 143 K N 0.565 121.014 120.400 0.082 0.000 2.265 143 K HA 0.374 4.693 4.320 -0.003 0.000 0.267 143 K C 0.939 177.576 176.600 0.061 0.000 0.994 143 K CA -0.889 55.425 56.287 0.045 0.000 0.860 143 K CB 1.207 33.702 32.500 -0.007 0.000 1.099 143 K HN 0.153 nan 8.250 nan 0.000 0.448 144 R N 1.691 122.218 120.500 0.045 0.000 2.873 144 R HA -0.028 4.310 4.340 -0.003 0.000 0.267 144 R C 1.354 177.695 176.300 0.068 0.000 1.009 144 R CA 0.199 56.326 56.100 0.046 0.000 1.152 144 R CB 0.230 30.546 30.300 0.025 0.000 1.047 144 R HN 0.587 nan 8.270 nan 0.000 0.470 145 K N 0.439 120.876 120.400 0.061 0.000 2.063 145 K HA -0.153 4.165 4.320 -0.003 0.000 0.208 145 K C 1.916 178.602 176.600 0.144 0.000 1.048 145 K CA 2.240 58.584 56.287 0.094 0.000 0.928 145 K CB -0.161 32.282 32.500 -0.096 0.000 0.713 145 K HN 0.769 nan 8.250 nan 0.000 0.442 146 T N -0.242 114.355 114.554 0.072 0.000 2.915 146 T HA -0.131 4.217 4.350 -0.003 0.000 0.269 146 T C 1.008 175.752 174.700 0.073 0.000 1.071 146 T CA 0.945 63.095 62.100 0.084 0.000 1.132 146 T CB -0.258 68.633 68.868 0.039 0.000 0.878 146 T HN 0.390 nan 8.240 nan 0.000 0.479 147 E N 0.878 121.107 120.200 0.048 0.000 2.364 147 E HA 0.628 4.977 4.350 -0.003 0.000 0.270 147 E C -0.206 176.384 176.600 -0.016 0.000 1.398 147 E CA -0.565 55.842 56.400 0.011 0.000 1.721 147 E CB -0.481 29.218 29.700 -0.002 0.000 1.525 147 E HN 0.633 nan 8.360 nan 0.000 0.446 148 I N -0.157 120.422 120.570 0.015 0.000 2.526 148 I HA 0.087 4.256 4.170 -0.003 0.000 0.305 148 I C -2.830 173.357 176.117 0.117 0.000 1.951 148 I CA -2.007 59.275 61.300 -0.030 0.000 0.938 148 I CB 1.964 39.836 38.000 -0.213 0.000 1.543 148 I HN -0.009 nan 8.210 nan 0.000 0.609 149 P HA 0.164 nan 4.420 nan 0.000 0.262 149 P C -2.498 174.970 177.300 0.280 0.000 1.182 149 P CA -0.470 62.767 63.100 0.228 0.000 0.761 149 P CB -0.170 31.717 31.700 0.312 0.000 0.795 150 P HA -0.090 nan 4.420 nan 0.000 0.259 150 P C -0.479 176.792 177.300 -0.048 0.000 1.163 150 P CA 1.337 64.236 63.100 -0.334 0.000 0.760 150 P CB 0.109 31.421 31.700 -0.647 0.000 0.762 151 H N 2.577 121.560 119.070 -0.146 0.000 3.086 151 H HA 0.103 4.656 4.556 -0.005 0.000 0.353 151 H C 0.201 175.181 175.328 -0.580 0.000 1.134 151 H CA -0.665 55.078 56.048 -0.508 0.000 1.248 151 H CB 1.228 30.631 29.762 -0.598 0.000 1.878 151 H HN 0.170 nan 8.280 nan 0.000 0.527 152 L N 4.286 125.016 121.223 -0.823 0.000 2.079 152 L HA -0.102 4.237 4.340 -0.003 0.000 0.210 152 L C 1.387 178.205 176.870 -0.085 0.000 1.081 152 L CA 1.719 56.319 54.840 -0.401 0.000 0.752 152 L CB -0.788 40.965 42.059 -0.510 0.000 0.896 152 L HN 0.487 nan 8.230 nan 0.000 0.433 153 F N -0.587 119.236 119.950 -0.212 0.000 2.250 153 F HA -0.185 4.337 4.527 -0.009 0.000 0.301 153 F C 2.940 178.371 175.800 -0.614 0.000 1.077 153 F CA 1.241 58.782 58.000 -0.764 0.000 1.348 153 F CB -1.556 36.735 39.000 -1.181 0.000 1.040 153 F HN 0.261 nan 8.300 nan 0.000 0.509 154 S N -0.453 115.224 115.700 -0.037 0.000 2.406 154 S HA -0.066 4.403 4.470 -0.003 0.000 0.228 154 S C 2.265 176.906 174.600 0.069 0.000 1.020 154 S CA 0.843 59.137 58.200 0.157 0.000 0.965 154 S CB -0.307 63.132 63.200 0.399 0.000 0.798 154 S HN 0.068 nan 8.310 nan 0.000 0.488 155 V N 2.014 121.953 119.914 0.041 0.000 2.307 155 V HA -0.098 4.021 4.120 -0.003 0.000 0.245 155 V C 2.837 178.868 176.094 -0.105 0.000 1.045 155 V CA 1.769 64.067 62.300 -0.003 0.000 1.024 155 V CB -1.272 30.578 31.823 0.046 0.000 0.651 155 V HN 0.579 nan 8.190 nan 0.000 0.449 156 A N -0.390 122.382 122.820 -0.080 0.000 1.877 156 A HA -0.293 4.025 4.320 -0.003 0.000 0.216 156 A C 2.220 179.911 177.584 0.178 0.000 1.186 156 A CA 1.939 54.000 52.037 0.040 0.000 0.620 156 A CB -0.771 18.184 19.000 -0.076 0.000 0.822 156 A HN 0.577 nan 8.150 nan 0.000 0.443 157 D N -0.246 120.155 120.400 0.002 0.000 2.123 157 D HA -0.178 4.460 4.640 -0.003 0.000 0.196 157 D C 1.434 177.836 176.300 0.170 0.000 0.992 157 D CA 1.330 55.435 54.000 0.176 0.000 0.833 157 D CB -0.226 40.660 40.800 0.144 0.000 0.954 157 D HN 0.403 nan 8.370 nan 0.000 0.455 158 N N 0.171 118.909 118.700 0.063 0.000 2.396 158 N HA -0.076 4.663 4.740 -0.003 0.000 0.180 158 N C 1.698 177.192 175.510 -0.027 0.000 1.028 158 N CA 0.712 53.781 53.050 0.030 0.000 0.893 158 N CB 0.037 38.538 38.487 0.024 0.000 0.967 158 N HN 0.200 nan 8.380 nan 0.000 0.440 159 A N 0.083 122.822 122.820 -0.135 0.000 1.968 159 A HA -0.145 4.174 4.320 -0.003 0.000 0.217 159 A C 2.041 179.595 177.584 -0.050 0.000 1.169 159 A CA 0.732 52.673 52.037 -0.160 0.000 0.638 159 A CB -0.626 18.252 19.000 -0.203 0.000 0.812 159 A HN 0.351 nan 8.150 nan 0.000 0.446 160 Y N 0.053 120.256 120.300 -0.162 0.000 2.130 160 Y HA -0.173 4.378 4.550 0.002 0.000 0.287 160 Y C 2.520 178.289 175.900 -0.219 0.000 1.124 160 Y CA 2.331 60.253 58.100 -0.297 0.000 1.118 160 Y CB -0.448 37.853 38.460 -0.266 0.000 0.994 160 Y HN 0.308 nan 8.280 nan 0.000 0.497 161 Q N 0.600 120.357 119.800 -0.071 0.000 2.226 161 Q HA -0.172 4.167 4.340 -0.003 0.000 0.204 161 Q C 1.727 177.612 176.000 -0.192 0.000 0.975 161 Q CA 1.839 57.562 55.803 -0.132 0.000 0.866 161 Q CB -0.367 28.384 28.738 0.021 0.000 0.915 161 Q HN 0.489 nan 8.270 nan 0.000 0.440 162 N N -1.098 117.514 118.700 -0.146 0.000 2.216 162 N HA -0.066 4.673 4.740 -0.003 0.000 0.183 162 N C 1.345 176.710 175.510 -0.242 0.000 1.017 162 N CA 1.052 54.025 53.050 -0.129 0.000 0.861 162 N CB -0.145 38.335 38.487 -0.012 0.000 0.986 162 N HN 0.311 nan 8.380 nan 0.000 0.428 163 M N 0.198 119.588 119.600 -0.350 0.000 2.067 163 M HA -0.153 4.326 4.480 -0.003 0.000 0.260 163 M C 1.317 177.292 176.300 -0.540 0.000 1.069 163 M CA 1.404 56.422 55.300 -0.470 0.000 1.117 163 M CB -0.093 32.154 32.600 -0.589 0.000 1.334 163 M HN -0.062 nan 8.290 nan 0.000 0.407 164 V N 0.594 120.168 119.914 -0.566 0.000 2.231 164 V HA -0.301 3.818 4.120 -0.003 0.000 0.239 164 V C 2.275 178.179 176.094 -0.318 0.000 1.035 164 V CA 2.498 64.537 62.300 -0.434 0.000 0.989 164 V CB -1.587 29.991 31.823 -0.409 0.000 0.636 164 V HN 0.561 nan 8.190 nan 0.000 0.457 165 T N 0.418 114.825 114.554 -0.245 0.000 2.527 165 T HA -0.313 4.035 4.350 -0.003 0.000 0.258 165 T C 1.564 176.159 174.700 -0.174 0.000 1.175 165 T CA 2.302 64.300 62.100 -0.170 0.000 1.168 165 T CB -0.643 68.146 68.868 -0.132 0.000 0.860 165 T HN 0.550 nan 8.240 nan 0.000 0.429 166 D N 0.369 120.652 120.400 -0.196 0.000 2.312 166 D HA -0.010 4.629 4.640 -0.003 0.000 0.211 166 D C 0.711 176.865 176.300 -0.242 0.000 0.964 166 D CA 0.363 54.254 54.000 -0.182 0.000 0.877 166 D CB -0.091 40.616 40.800 -0.155 0.000 0.924 166 D HN 0.224 nan 8.370 nan 0.000 0.515 167 R N 0.530 120.798 120.500 -0.387 0.000 3.267 167 R HA -0.194 4.145 4.340 -0.003 0.000 0.254 167 R C -0.105 175.856 176.300 -0.564 0.000 0.993 167 R CA 0.553 56.289 56.100 -0.606 0.000 0.670 167 R CB -2.303 27.822 30.300 -0.292 0.000 1.125 167 R HN 0.455 nan 8.270 nan 0.000 0.434 168 E N -0.002 119.881 120.200 -0.529 0.000 2.413 168 E HA 0.326 4.674 4.350 -0.003 0.000 0.277 168 E C -0.818 175.633 176.600 -0.248 0.000 0.958 168 E CA -0.844 55.386 56.400 -0.282 0.000 0.779 168 E CB 1.189 30.788 29.700 -0.169 0.000 1.278 168 E HN 0.093 nan 8.360 nan 0.000 0.456 169 N N 2.525 121.133 118.700 -0.153 0.000 2.513 169 N HA 0.103 4.842 4.740 -0.003 0.000 0.268 169 N C -0.740 174.633 175.510 -0.229 0.000 1.180 169 N CA 0.060 52.950 53.050 -0.266 0.000 0.948 169 N CB 0.843 39.087 38.487 -0.405 0.000 1.083 169 N HN 0.390 nan 8.380 nan 0.000 0.455 170 Q N 0.216 119.889 119.800 -0.213 0.000 2.297 170 Q HA 0.613 4.952 4.340 -0.003 0.000 0.269 170 Q C -0.405 175.597 176.000 0.004 0.000 1.051 170 Q CA -0.713 55.063 55.803 -0.046 0.000 0.869 170 Q CB 1.839 30.615 28.738 0.063 0.000 1.346 170 Q HN 0.719 nan 8.270 nan 0.000 0.457 171 S N -1.336 114.427 115.700 0.106 0.000 2.533 171 S HA 0.436 4.904 4.470 -0.003 0.000 0.271 171 S C -1.052 173.622 174.600 0.123 0.000 1.143 171 S CA -0.900 57.382 58.200 0.137 0.000 0.891 171 S CB 1.094 64.336 63.200 0.070 0.000 1.105 171 S HN 0.690 nan 8.310 nan 0.000 0.468 172 C N 4.708 124.092 119.300 0.140 0.000 2.386 172 C HA 0.709 5.167 4.460 -0.003 0.000 0.318 172 C C -0.993 174.020 174.990 0.038 0.000 1.128 172 C CA -0.592 58.478 59.018 0.087 0.000 1.438 172 C CB -1.712 26.108 27.740 0.134 0.000 1.987 172 C HN 0.839 nan 8.230 nan 0.000 0.426 173 L N 6.740 127.915 121.223 -0.079 0.000 2.349 173 L HA 0.593 4.932 4.340 -0.003 0.000 0.275 173 L C 0.254 177.174 176.870 0.083 0.000 1.115 173 L CA 0.271 55.109 54.840 -0.003 0.000 0.820 173 L CB 0.774 42.832 42.059 -0.001 0.000 1.135 173 L HN 0.522 nan 8.230 nan 0.000 0.445 174 I N 2.234 122.854 120.570 0.082 0.000 2.478 174 I HA 0.560 4.729 4.170 -0.003 0.000 0.287 174 I C 0.004 176.155 176.117 0.057 0.000 1.042 174 I CA -0.299 61.051 61.300 0.084 0.000 1.067 174 I CB 1.986 40.028 38.000 0.070 0.000 1.233 174 I HN 0.774 nan 8.210 nan 0.000 0.431 175 T N 1.673 116.256 114.554 0.049 0.000 2.669 175 T HA 0.992 5.340 4.350 -0.003 0.000 0.283 175 T C -0.124 174.571 174.700 -0.008 0.000 1.019 175 T CA -0.475 61.637 62.100 0.020 0.000 1.039 175 T CB 2.314 71.199 68.868 0.028 0.000 1.374 175 T HN 1.132 nan 8.240 nan 0.000 0.523 176 G N -0.408 108.382 108.800 -0.016 0.000 2.359 176 G HA2 0.270 4.228 3.960 -0.003 0.000 0.303 176 G HA3 0.270 4.228 3.960 -0.003 0.000 0.303 176 G C -0.964 173.925 174.900 -0.019 0.000 1.293 176 G CA -0.626 44.454 45.100 -0.033 0.000 0.964 176 G HN 0.897 nan 8.290 nan 0.000 0.531 177 E N -0.743 119.445 120.200 -0.020 0.000 3.638 177 E HA 0.468 4.817 4.350 -0.003 0.000 0.289 177 E C 0.357 176.965 176.600 0.013 0.000 1.464 177 E CA 0.058 56.458 56.400 -0.000 0.000 1.396 177 E CB 0.540 30.243 29.700 0.005 0.000 1.303 177 E HN 0.415 nan 8.360 nan 0.000 0.785 178 S N -1.225 114.498 115.700 0.038 0.000 2.499 178 S HA 0.417 4.885 4.470 -0.003 0.000 0.279 178 S C 0.475 175.100 174.600 0.042 0.000 1.219 178 S CA 0.432 58.657 58.200 0.042 0.000 1.062 178 S CB 0.544 63.783 63.200 0.064 0.000 0.978 178 S HN 0.721 nan 8.310 nan 0.000 0.489 179 G N 3.076 111.893 108.800 0.030 0.000 2.143 179 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.249 179 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.249 179 G C 0.865 175.754 174.900 -0.018 0.000 0.981 179 G CA 0.282 45.402 45.100 0.034 0.000 0.665 179 G HN 1.254 nan 8.290 nan 0.000 0.528 180 A N -0.291 122.509 122.820 -0.033 0.000 2.014 180 A HA 0.522 4.840 4.320 -0.003 0.000 0.218 180 A C 2.520 180.041 177.584 -0.106 0.000 1.163 180 A CA 2.185 54.179 52.037 -0.073 0.000 0.652 180 A CB -0.335 18.633 19.000 -0.053 0.000 0.808 180 A HN 2.498 nan 8.150 nan 0.000 0.449 181 G N -0.401 108.354 108.800 -0.075 0.000 2.173 181 G HA2 -0.185 3.774 3.960 -0.003 0.000 0.174 181 G HA3 -0.185 3.774 3.960 -0.003 0.000 0.174 181 G C 0.538 175.419 174.900 -0.031 0.000 1.025 181 G CA 0.428 45.485 45.100 -0.072 0.000 0.706 181 G HN 0.650 nan 8.290 nan 0.000 0.499 182 K N -0.891 119.498 120.400 -0.017 0.000 2.167 182 K HA 0.061 4.379 4.320 -0.003 0.000 0.203 182 K C 2.170 178.774 176.600 0.005 0.000 1.052 182 K CA 1.393 57.681 56.287 0.002 0.000 0.956 182 K CB -0.282 32.219 32.500 0.003 0.000 0.735 182 K HN 0.188 nan 8.250 nan 0.000 0.451 183 T N 2.098 116.649 114.554 -0.004 0.000 2.708 183 T HA -0.190 4.158 4.350 -0.003 0.000 0.266 183 T C 1.816 176.519 174.700 0.005 0.000 1.037 183 T CA 1.818 63.919 62.100 0.002 0.000 1.146 183 T CB -0.148 68.724 68.868 0.006 0.000 0.865 183 T HN 0.463 nan 8.240 nan 0.000 0.435 184 E N 0.350 120.546 120.200 -0.006 0.000 2.347 184 E HA -0.024 4.324 4.350 -0.003 0.000 0.196 184 E C 2.144 178.737 176.600 -0.011 0.000 1.008 184 E CA 0.531 56.918 56.400 -0.021 0.000 0.852 184 E CB -0.010 29.663 29.700 -0.044 0.000 0.783 184 E HN 0.260 nan 8.360 nan 0.000 0.505 185 S N -0.651 115.061 115.700 0.020 0.000 2.388 185 S HA -0.073 4.395 4.470 -0.003 0.000 0.223 185 S C 1.809 176.437 174.600 0.046 0.000 1.034 185 S CA 1.198 59.435 58.200 0.062 0.000 0.963 185 S CB -0.098 63.151 63.200 0.083 0.000 0.827 185 S HN 0.374 nan 8.310 nan 0.000 0.481 186 T N 2.530 117.102 114.554 0.030 0.000 2.665 186 T HA -0.140 4.208 4.350 -0.003 0.000 0.268 186 T C 1.767 176.469 174.700 0.003 0.000 1.035 186 T CA 1.266 63.380 62.100 0.022 0.000 1.151 186 T CB -0.259 68.627 68.868 0.030 0.000 0.862 186 T HN 0.365 nan 8.240 nan 0.000 0.438 187 K N 0.698 121.100 120.400 0.004 0.000 2.044 187 K HA -0.140 4.179 4.320 -0.003 0.000 0.210 187 K C 2.449 179.048 176.600 -0.003 0.000 1.049 187 K CA 1.366 57.649 56.287 -0.007 0.000 0.927 187 K CB -0.164 32.328 32.500 -0.014 0.000 0.713 187 K HN 0.134 nan 8.250 nan 0.000 0.443 188 K N 0.547 120.962 120.400 0.026 0.000 2.147 188 K HA -0.092 4.226 4.320 -0.003 0.000 0.205 188 K C 1.847 178.521 176.600 0.123 0.000 1.049 188 K CA 0.739 57.098 56.287 0.120 0.000 0.936 188 K CB -0.131 32.493 32.500 0.206 0.000 0.722 188 K HN -0.062 nan 8.250 nan 0.000 0.446 189 V N 0.962 120.874 119.914 -0.003 0.000 2.548 189 V HA -0.172 3.947 4.120 -0.003 0.000 0.249 189 V C 1.885 177.700 176.094 -0.465 0.000 1.055 189 V CA 1.153 63.340 62.300 -0.188 0.000 1.065 189 V CB -0.411 31.301 31.823 -0.186 0.000 0.681 189 V HN 0.233 nan 8.190 nan 0.000 0.462 190 I N -0.559 119.857 120.570 -0.257 0.000 2.277 190 I HA -0.175 3.993 4.170 -0.003 0.000 0.243 190 I C 2.370 178.423 176.117 -0.108 0.000 1.094 190 I CA 1.574 62.747 61.300 -0.211 0.000 1.393 190 I CB -0.971 36.980 38.000 -0.080 0.000 1.078 190 I HN 0.335 nan 8.210 nan 0.000 0.417 191 M N 0.040 119.610 119.600 -0.049 0.000 2.202 191 M HA -0.286 4.193 4.480 -0.003 0.000 0.262 191 M C 2.492 178.765 176.300 -0.044 0.000 1.063 191 M CA 1.929 57.217 55.300 -0.022 0.000 1.097 191 M CB -0.417 32.191 32.600 0.014 0.000 1.382 191 M HN 0.196 nan 8.290 nan 0.000 0.413 192 Y N 0.318 120.511 120.300 -0.178 0.000 2.242 192 Y HA -0.182 4.367 4.550 -0.002 0.000 0.291 192 Y C 1.629 177.524 175.900 -0.009 0.000 1.137 192 Y CA 1.904 59.862 58.100 -0.237 0.000 1.181 192 Y CB -0.448 37.817 38.460 -0.324 0.000 0.989 192 Y HN 0.206 nan 8.280 nan 0.000 0.527 193 F N -0.845 119.119 119.950 0.024 0.000 2.163 193 F HA -0.131 4.394 4.527 -0.002 0.000 0.297 193 F C 2.603 178.335 175.800 -0.112 0.000 1.094 193 F CA 0.202 58.190 58.000 -0.021 0.000 1.290 193 F CB -0.569 38.520 39.000 0.149 0.000 1.017 193 F HN 0.131 nan 8.300 nan 0.000 0.483 194 A N 0.826 123.719 122.820 0.121 0.000 1.948 194 A HA -0.222 4.096 4.320 -0.003 0.000 0.220 194 A C 1.977 179.522 177.584 -0.064 0.000 1.177 194 A CA 1.548 53.592 52.037 0.012 0.000 0.636 194 A CB -0.684 18.309 19.000 -0.012 0.000 0.815 194 A HN 0.349 nan 8.150 nan 0.000 0.449 195 R N -0.827 119.587 120.500 -0.144 0.000 2.310 195 R HA 0.092 4.430 4.340 -0.003 0.000 0.202 195 R C 1.176 177.304 176.300 -0.287 0.000 0.933 195 R CA 0.903 56.872 56.100 -0.218 0.000 1.054 195 R CB 0.106 30.240 30.300 -0.277 0.000 0.985 195 R HN 0.601 nan 8.270 nan 0.000 0.489 196 V N -5.601 114.139 119.914 -0.290 0.000 3.497 196 V HA 0.488 4.606 4.120 -0.003 0.000 0.272 196 V C 0.711 176.659 176.094 -0.243 0.000 1.474 196 V CA 0.272 62.375 62.300 -0.328 0.000 1.025 196 V CB 1.141 32.661 31.823 -0.505 0.000 0.820 196 V HN 0.000 nan 8.190 nan 0.000 0.437 197 A N 0.752 123.484 122.820 -0.147 0.000 3.176 197 A HA 0.883 5.201 4.320 -0.003 0.000 0.265 197 A C 0.382 177.981 177.584 0.026 0.000 0.936 197 A CA 0.355 52.383 52.037 -0.015 0.000 1.033 197 A CB -0.206 18.858 19.000 0.107 0.000 1.158 197 A HN 1.068 nan 8.150 nan 0.000 0.485 198 A N 0.136 122.948 122.820 -0.014 0.000 2.302 198 A HA 0.529 4.848 4.320 -0.003 0.000 0.295 198 A C 1.300 178.885 177.584 0.001 0.000 1.235 198 A CA 0.418 52.447 52.037 -0.013 0.000 0.876 198 A CB -0.687 18.294 19.000 -0.033 0.000 1.133 198 A HN 1.266 nan 8.150 nan 0.000 0.533 199 N N 2.389 121.094 118.700 0.008 0.000 2.112 199 N HA -0.135 4.603 4.740 -0.003 0.000 0.200 199 N C 0.930 176.445 175.510 0.008 0.000 1.011 199 N CA 2.272 55.329 53.050 0.013 0.000 0.891 199 N CB -1.097 37.393 38.487 0.005 0.000 1.060 199 N HN 1.369 nan 8.380 nan 0.000 0.478 214 N N 0.443 119.134 118.700 -0.014 0.000 2.237 214 N HA 0.114 4.853 4.740 -0.003 0.000 0.222 214 N C 1.229 176.725 175.510 -0.022 0.000 1.311 214 N CA 0.046 53.086 53.050 -0.018 0.000 0.880 214 N CB 0.037 38.512 38.487 -0.019 0.000 1.106 214 N HN 0.589 nan 8.380 nan 0.000 0.435 215 L N 0.572 121.779 121.223 -0.026 0.000 2.027 215 L HA -0.152 4.186 4.340 -0.003 0.000 0.206 215 L C 2.010 178.861 176.870 -0.033 0.000 1.074 215 L CA 1.326 56.148 54.840 -0.031 0.000 0.745 215 L CB -0.547 41.489 42.059 -0.038 0.000 0.898 215 L HN 0.429 nan 8.230 nan 0.000 0.433 216 E N 0.844 121.025 120.200 -0.032 0.000 2.108 216 E HA -0.258 4.091 4.350 -0.003 0.000 0.203 216 E C 1.724 178.307 176.600 -0.028 0.000 1.022 216 E CA 1.908 58.290 56.400 -0.030 0.000 0.823 216 E CB -0.404 29.279 29.700 -0.028 0.000 0.744 216 E HN 0.489 nan 8.360 nan 0.000 0.456 217 D N 0.203 120.587 120.400 -0.026 0.000 2.088 217 D HA -0.185 4.453 4.640 -0.003 0.000 0.191 217 D C 1.967 178.249 176.300 -0.029 0.000 0.992 217 D CA 1.212 55.197 54.000 -0.026 0.000 0.831 217 D CB -0.663 40.124 40.800 -0.022 0.000 0.973 217 D HN 0.150 nan 8.370 nan 0.000 0.447 218 Q N -0.191 119.591 119.800 -0.029 0.000 2.242 218 Q HA -0.157 4.182 4.340 -0.003 0.000 0.211 218 Q C 2.190 178.166 176.000 -0.040 0.000 0.992 218 Q CA 1.054 56.837 55.803 -0.033 0.000 0.889 218 Q CB -0.183 28.538 28.738 -0.027 0.000 0.913 218 Q HN 0.409 nan 8.270 nan 0.000 0.422 219 I N -0.501 120.047 120.570 -0.036 0.000 2.546 219 I HA -0.215 3.953 4.170 -0.003 0.000 0.255 219 I C 1.662 177.760 176.117 -0.032 0.000 1.163 219 I CA 0.350 61.629 61.300 -0.035 0.000 1.457 219 I CB -0.185 37.797 38.000 -0.031 0.000 1.092 219 I HN 0.238 nan 8.210 nan 0.000 0.434 220 I N 0.683 121.234 120.570 -0.032 0.000 2.286 220 I HA -0.163 4.006 4.170 -0.003 0.000 0.245 220 I C 2.495 178.589 176.117 -0.039 0.000 1.104 220 I CA 1.365 62.647 61.300 -0.029 0.000 1.397 220 I CB -1.051 36.933 38.000 -0.027 0.000 1.072 220 I HN 0.233 nan 8.210 nan 0.000 0.417 221 E N 0.981 121.150 120.200 -0.052 0.000 2.265 221 E HA -0.105 4.243 4.350 -0.003 0.000 0.196 221 E C 2.221 178.751 176.600 -0.116 0.000 0.996 221 E CA 1.050 57.403 56.400 -0.080 0.000 0.832 221 E CB -0.137 29.513 29.700 -0.082 0.000 0.756 221 E HN 0.428 nan 8.360 nan 0.000 0.491 222 A N 1.498 124.262 122.820 -0.093 0.000 2.015 222 A HA -0.151 4.167 4.320 -0.003 0.000 0.219 222 A C 1.899 179.442 177.584 -0.068 0.000 1.163 222 A CA 0.956 52.930 52.037 -0.105 0.000 0.646 222 A CB -0.275 18.683 19.000 -0.069 0.000 0.806 222 A HN 0.147 nan 8.150 nan 0.000 0.448 223 N N 0.168 118.853 118.700 -0.026 0.000 2.106 223 N HA -0.090 4.648 4.740 -0.003 0.000 0.188 223 N C -0.727 174.798 175.510 0.025 0.000 1.029 223 N CA 1.576 54.643 53.050 0.029 0.000 0.848 223 N CB -1.548 36.960 38.487 0.034 0.000 1.007 223 N HN 0.255 nan 8.380 nan 0.000 0.423 224 P HA -0.164 nan 4.420 nan 0.000 0.215 224 P C 2.005 179.282 177.300 -0.038 0.000 1.163 224 P CA 1.554 64.638 63.100 -0.026 0.000 0.894 224 P CB -0.199 31.463 31.700 -0.064 0.000 0.791 225 V N -3.128 116.696 119.914 -0.150 0.000 2.343 225 V HA -0.220 3.898 4.120 -0.003 0.000 0.247 225 V C 2.243 178.373 176.094 0.059 0.000 1.051 225 V CA 1.742 63.951 62.300 -0.152 0.000 1.036 225 V CB -1.922 29.556 31.823 -0.575 0.000 0.654 225 V HN 0.007 nan 8.190 nan 0.000 0.451 226 L N 0.035 121.276 121.223 0.031 0.000 2.046 226 L HA -0.133 4.206 4.340 -0.003 0.000 0.208 226 L C 2.910 179.941 176.870 0.269 0.000 1.077 226 L CA 2.191 57.099 54.840 0.113 0.000 0.747 226 L CB -0.697 41.445 42.059 0.138 0.000 0.896 226 L HN 0.361 nan 8.230 nan 0.000 0.432 227 E N -0.149 120.196 120.200 0.242 0.000 2.347 227 E HA -0.140 4.209 4.350 -0.003 0.000 0.196 227 E C 2.189 178.961 176.600 0.286 0.000 1.008 227 E CA 0.721 57.304 56.400 0.305 0.000 0.852 227 E CB 0.005 29.849 29.700 0.241 0.000 0.783 227 E HN 0.485 nan 8.360 nan 0.000 0.505 228 A N 0.250 123.143 122.820 0.121 0.000 1.929 228 A HA -0.098 4.221 4.320 -0.003 0.000 0.216 228 A C 1.506 178.934 177.584 -0.259 0.000 1.176 228 A CA 1.036 53.006 52.037 -0.112 0.000 0.628 228 A CB -0.249 18.526 19.000 -0.375 0.000 0.816 228 A HN 0.207 nan 8.150 nan 0.000 0.444 229 F N -1.691 118.392 119.950 0.221 0.000 2.706 229 F HA 0.290 4.816 4.527 -0.002 0.000 0.308 229 F C 2.168 178.064 175.800 0.159 0.000 1.095 229 F CA 0.366 58.465 58.000 0.165 0.000 1.244 229 F CB 0.350 39.390 39.000 0.067 0.000 1.063 229 F HN 0.252 nan 8.300 nan 0.000 0.582 230 G N -0.601 108.493 108.800 0.490 0.000 2.762 230 G HA2 0.070 4.029 3.960 -0.003 0.000 0.209 230 G HA3 0.070 4.029 3.960 -0.003 0.000 0.209 230 G C 0.231 175.540 174.900 0.682 0.000 1.134 230 G CA 0.041 45.429 45.100 0.480 0.000 0.781 230 G HN 0.112 nan 8.290 nan 0.000 0.528 231 N N -0.184 118.814 118.700 0.496 0.000 2.432 231 N HA 0.773 5.512 4.740 -0.003 0.000 0.292 231 N C -0.442 174.925 175.510 -0.239 0.000 1.193 231 N CA -0.000 53.174 53.050 0.208 0.000 0.878 231 N CB 2.105 40.743 38.487 0.252 0.000 1.252 231 N HN 0.264 nan 8.380 nan 0.000 0.520 232 A N -0.258 122.345 122.820 -0.362 0.000 2.599 232 A HA 0.528 4.846 4.320 -0.003 0.000 0.290 232 A C -1.453 176.016 177.584 -0.191 0.000 1.101 232 A CA -0.715 51.026 52.037 -0.492 0.000 0.674 232 A CB 1.218 19.916 19.000 -0.504 0.000 1.277 232 A HN 0.461 nan 8.150 nan 0.000 0.419 233 K N 1.285 121.622 120.400 -0.105 0.000 2.262 233 K HA 0.499 4.817 4.320 -0.003 0.000 0.282 233 K C -0.337 176.223 176.600 -0.066 0.000 1.066 233 K CA 0.273 56.548 56.287 -0.021 0.000 0.901 233 K CB 0.756 33.244 32.500 -0.019 0.000 1.089 233 K HN 0.930 nan 8.250 nan 0.000 0.476 234 T N 0.018 114.548 114.554 -0.039 0.000 2.926 234 T HA 0.192 4.541 4.350 -0.003 0.000 0.289 234 T C 1.275 175.964 174.700 -0.020 0.000 1.054 234 T CA -0.833 61.240 62.100 -0.044 0.000 1.015 234 T CB 1.439 70.284 68.868 -0.038 0.000 1.167 234 T HN 0.194 nan 8.240 nan 0.000 0.526 235 V N 2.067 121.970 119.914 -0.019 0.000 2.720 235 V HA -0.061 4.058 4.120 -0.003 0.000 0.256 235 V C 2.873 178.975 176.094 0.014 0.000 1.082 235 V CA 1.388 63.684 62.300 -0.006 0.000 1.101 235 V CB -0.851 30.968 31.823 -0.006 0.000 0.693 235 V HN 0.721 nan 8.190 nan 0.000 0.479 236 R N -0.217 120.299 120.500 0.027 0.000 2.064 236 R HA 0.146 4.484 4.340 -0.003 0.000 0.221 236 R C 1.060 177.396 176.300 0.060 0.000 1.136 236 R CA 0.636 56.767 56.100 0.050 0.000 0.980 236 R CB -0.190 30.148 30.300 0.063 0.000 0.876 236 R HN 0.540 nan 8.270 nan 0.000 0.437 237 N N 0.001 118.731 118.700 0.050 0.000 2.272 237 N HA 0.160 4.899 4.740 -0.003 0.000 0.305 237 N C -0.469 175.074 175.510 0.054 0.000 1.103 237 N CA -0.288 52.800 53.050 0.062 0.000 0.791 237 N CB 1.382 39.905 38.487 0.060 0.000 1.356 237 N HN 0.049 nan 8.380 nan 0.000 0.486 238 N N 0.793 119.533 118.700 0.066 0.000 2.398 238 N HA -0.013 4.725 4.740 -0.003 0.000 0.188 238 N C -0.611 174.970 175.510 0.119 0.000 1.122 238 N CA 0.179 53.269 53.050 0.066 0.000 0.866 238 N CB 0.131 38.644 38.487 0.044 0.000 0.970 238 N HN 0.414 nan 8.380 nan 0.000 0.462 239 N N 0.158 118.935 118.700 0.128 0.000 2.679 239 N HA -0.024 4.715 4.740 -0.003 0.000 0.240 239 N C -1.696 173.899 175.510 0.142 0.000 1.537 239 N CA -0.157 53.015 53.050 0.203 0.000 0.793 239 N CB 0.516 39.096 38.487 0.155 0.000 1.391 239 N HN -0.167 nan 8.380 nan 0.000 0.524 240 S N 0.812 116.569 115.700 0.095 0.000 2.439 240 S HA 0.319 4.788 4.470 -0.003 0.000 0.282 240 S C 0.088 174.738 174.600 0.082 0.000 1.170 240 S CA -0.488 57.749 58.200 0.061 0.000 1.054 240 S CB -0.043 63.173 63.200 0.026 0.000 0.956 240 S HN 0.398 nan 8.310 nan 0.000 0.490 241 S N 6.031 121.778 115.700 0.079 0.000 2.481 241 S HA 0.293 4.761 4.470 -0.003 0.000 0.282 241 S C 0.552 175.208 174.600 0.094 0.000 1.243 241 S CA -0.741 57.523 58.200 0.107 0.000 1.078 241 S CB 0.481 63.620 63.200 -0.100 0.000 0.916 241 S HN 0.724 nan 8.310 nan 0.000 0.495 242 R N 2.075 122.753 120.500 0.296 0.000 2.555 242 R HA 0.283 4.622 4.340 -0.003 0.000 0.272 242 R C -0.554 175.954 176.300 0.347 0.000 1.089 242 R CA -0.036 56.216 56.100 0.252 0.000 1.126 242 R CB -1.112 29.323 30.300 0.226 0.000 1.250 242 R HN 0.835 nan 8.270 nan 0.000 0.551 243 F N -4.238 115.771 119.950 0.099 0.000 2.693 243 F HA 0.676 5.201 4.527 -0.004 0.000 0.309 243 F C -0.248 175.654 175.800 0.169 0.000 1.129 243 F CA -1.629 56.434 58.000 0.105 0.000 0.948 243 F CB 0.775 39.821 39.000 0.076 0.000 1.315 243 F HN -0.135 nan 8.300 nan 0.000 0.447 244 G N 1.483 110.392 108.800 0.180 0.000 2.348 244 G HA2 0.566 4.524 3.960 -0.003 0.000 0.312 244 G HA3 0.566 4.524 3.960 -0.003 0.000 0.312 244 G C -1.722 173.392 174.900 0.355 0.000 1.126 244 G CA -1.016 44.168 45.100 0.140 0.000 0.865 244 G HN 0.948 nan 8.290 nan 0.000 0.474 245 K N 1.229 121.744 120.400 0.193 0.000 2.426 245 K HA 0.596 4.915 4.320 -0.003 0.000 0.254 245 K C -1.889 174.961 176.600 0.416 0.000 0.936 245 K CA -0.982 55.517 56.287 0.354 0.000 0.801 245 K CB 2.220 34.864 32.500 0.240 0.000 1.139 245 K HN 0.223 nan 8.250 nan 0.000 0.424 246 F N 5.238 125.381 119.950 0.321 0.000 2.375 246 F HA 0.482 5.008 4.527 -0.002 0.000 0.361 246 F C -1.172 174.718 175.800 0.150 0.000 1.117 246 F CA -1.754 56.383 58.000 0.228 0.000 1.037 246 F CB 0.581 39.761 39.000 0.300 0.000 1.192 246 F HN 0.513 nan 8.300 nan 0.000 0.452 247 I N 6.971 127.486 120.570 -0.093 0.000 2.354 247 I HA 0.449 4.618 4.170 -0.003 0.000 0.292 247 I C -0.368 175.504 176.117 -0.409 0.000 0.989 247 I CA -0.700 60.456 61.300 -0.241 0.000 1.188 247 I CB 1.425 39.405 38.000 -0.033 0.000 1.342 247 I HN 0.439 nan 8.210 nan 0.000 0.457 248 R N 6.717 126.926 120.500 -0.485 0.000 2.343 248 R HA 0.579 4.918 4.340 -0.003 0.000 0.320 248 R C -1.071 175.038 176.300 -0.319 0.000 0.956 248 R CA -0.879 54.976 56.100 -0.409 0.000 0.836 248 R CB 1.979 31.840 30.300 -0.730 0.000 1.151 248 R HN 0.422 nan 8.270 nan 0.000 0.450 249 I N 4.458 124.968 120.570 -0.099 0.000 2.312 249 I HA 0.215 4.384 4.170 -0.003 0.000 0.290 249 I C 0.395 176.429 176.117 -0.137 0.000 1.008 249 I CA -0.573 60.659 61.300 -0.113 0.000 1.226 249 I CB 0.799 38.822 38.000 0.038 0.000 1.371 249 I HN 0.452 nan 8.210 nan 0.000 0.468 250 H N 6.410 125.465 119.070 -0.026 0.000 2.548 250 H HA 0.433 4.988 4.556 -0.003 0.000 0.331 250 H C -0.826 174.454 175.328 -0.080 0.000 1.093 250 H CA 0.027 56.121 56.048 0.076 0.000 1.367 250 H CB 1.272 31.047 29.762 0.021 0.000 1.455 250 H HN 0.272 nan 8.280 nan 0.000 0.519 251 F N -0.228 119.849 119.950 0.211 0.000 2.561 251 F HA 0.463 4.989 4.527 -0.003 0.000 0.321 251 F C 1.016 176.872 175.800 0.094 0.000 1.065 251 F CA -0.759 57.327 58.000 0.143 0.000 0.934 251 F CB 1.624 40.711 39.000 0.144 0.000 1.215 251 F HN 0.527 nan 8.300 nan 0.000 0.471 252 G N 0.544 109.498 108.800 0.257 0.000 2.511 252 G HA2 0.457 4.416 3.960 -0.003 0.000 0.316 252 G HA3 0.457 4.416 3.960 -0.003 0.000 0.316 252 G C -2.291 172.688 174.900 0.132 0.000 1.210 252 G CA -1.772 43.407 45.100 0.132 0.000 0.969 252 G HN 0.406 nan 8.290 nan 0.000 0.492 253 P HA -0.062 nan 4.420 nan 0.000 0.229 253 P C 1.261 178.609 177.300 0.080 0.000 1.147 253 P CA 1.651 64.794 63.100 0.072 0.000 0.766 253 P CB 0.190 31.911 31.700 0.035 0.000 0.775 254 T N -6.579 108.030 114.554 0.092 0.000 3.182 254 T HA 0.436 4.785 4.350 -0.003 0.000 0.277 254 T C 1.183 175.957 174.700 0.122 0.000 1.013 254 T CA 0.066 62.217 62.100 0.085 0.000 0.900 254 T CB -0.274 68.636 68.868 0.070 0.000 1.098 254 T HN 0.154 nan 8.240 nan 0.000 0.543 255 G N 2.148 111.041 108.800 0.156 0.000 2.246 255 G HA2 -0.207 3.752 3.960 -0.003 0.000 0.273 255 G HA3 -0.207 3.752 3.960 -0.003 0.000 0.273 255 G C -0.261 174.885 174.900 0.410 0.000 1.055 255 G CA -0.246 44.989 45.100 0.224 0.000 0.851 255 G HN 0.531 nan 8.290 nan 0.000 0.500 256 K N -0.200 120.405 120.400 0.341 0.000 2.259 256 K HA 0.527 4.845 4.320 -0.003 0.000 0.252 256 K C 0.900 177.607 176.600 0.179 0.000 0.936 256 K CA -1.219 55.223 56.287 0.258 0.000 0.810 256 K CB 1.699 34.276 32.500 0.129 0.000 1.143 256 K HN 0.239 nan 8.250 nan 0.000 0.427 257 I N 2.168 122.731 120.570 -0.013 0.000 2.741 257 I HA -0.169 3.999 4.170 -0.003 0.000 0.288 257 I C 1.162 177.207 176.117 -0.119 0.000 1.192 257 I CA 0.457 61.587 61.300 -0.282 0.000 1.426 257 I CB 0.631 38.469 38.000 -0.271 0.000 1.367 257 I HN 0.731 nan 8.210 nan 0.000 0.563 258 A N 5.064 127.820 122.820 -0.107 0.000 2.127 258 A HA 0.612 4.930 4.320 -0.003 0.000 0.204 258 A C 0.816 178.384 177.584 -0.026 0.000 1.243 258 A CA 0.646 52.666 52.037 -0.029 0.000 0.887 258 A CB 0.438 19.449 19.000 0.018 0.000 0.933 258 A HN 0.808 nan 8.150 nan 0.000 0.479 259 G N -2.356 106.444 108.800 -0.001 0.000 2.495 259 G HA2 0.687 4.645 3.960 -0.003 0.000 0.294 259 G HA3 0.687 4.645 3.960 -0.003 0.000 0.294 259 G C -1.274 173.689 174.900 0.105 0.000 1.397 259 G CA 0.214 45.331 45.100 0.029 0.000 0.790 259 G HN 1.357 nan 8.290 nan 0.000 0.486 260 A N -0.500 122.387 122.820 0.112 0.000 2.601 260 A HA 0.883 5.201 4.320 -0.003 0.000 0.291 260 A C -1.764 175.834 177.584 0.023 0.000 1.075 260 A CA 0.199 52.270 52.037 0.056 0.000 0.671 260 A CB 1.986 20.965 19.000 -0.035 0.000 1.277 260 A HN 1.801 nan 8.150 nan 0.000 0.417 261 D N -1.120 119.244 120.400 -0.059 0.000 2.623 261 D HA 0.663 5.301 4.640 -0.003 0.000 0.241 261 D C -1.063 175.155 176.300 -0.137 0.000 1.241 261 D CA -0.385 53.563 54.000 -0.086 0.000 0.788 261 D CB 0.837 41.600 40.800 -0.061 0.000 1.413 261 D HN 0.559 nan 8.370 nan 0.000 0.429 262 I N -0.386 120.121 120.570 -0.105 0.000 2.785 262 I HA 0.526 4.694 4.170 -0.003 0.000 0.302 262 I C -0.478 175.613 176.117 -0.042 0.000 1.069 262 I CA -0.977 60.283 61.300 -0.067 0.000 1.045 262 I CB 2.160 40.153 38.000 -0.013 0.000 1.236 262 I HN 0.303 nan 8.210 nan 0.000 0.429 263 E N 2.408 122.629 120.200 0.035 0.000 2.317 263 E HA 0.533 4.882 4.350 -0.003 0.000 0.270 263 E C -1.250 175.363 176.600 0.022 0.000 0.885 263 E CA -0.399 56.000 56.400 -0.001 0.000 0.760 263 E CB 2.999 32.758 29.700 0.099 0.000 1.227 263 E HN 0.759 nan 8.360 nan 0.000 0.434 264 T N -0.996 113.456 114.554 -0.170 0.000 2.916 264 T HA 0.765 5.114 4.350 -0.003 0.000 0.292 264 T C -0.844 173.627 174.700 -0.383 0.000 1.064 264 T CA -0.630 61.498 62.100 0.046 0.000 1.011 264 T CB 1.016 70.106 68.868 0.370 0.000 1.152 264 T HN 0.359 nan 8.240 nan 0.000 0.510 265 Y N -0.263 120.231 120.300 0.323 0.000 2.513 265 Y HA 0.519 5.067 4.550 -0.003 0.000 0.340 265 Y C 0.061 176.058 175.900 0.162 0.000 1.055 265 Y CA -1.802 56.437 58.100 0.233 0.000 1.020 265 Y CB 1.601 40.196 38.460 0.224 0.000 1.301 265 Y HN 0.776 nan 8.280 nan 0.000 0.453 266 L N 2.641 123.988 121.223 0.207 0.000 3.965 266 L HA -0.246 4.092 4.340 -0.003 0.000 0.499 266 L C -0.488 176.430 176.870 0.079 0.000 1.194 266 L CA 0.071 54.948 54.840 0.061 0.000 0.707 266 L CB -0.975 41.039 42.059 -0.074 0.000 1.414 266 L HN 0.446 nan 8.230 nan 0.000 0.802 267 L N 1.625 122.878 121.223 0.050 0.000 2.453 267 L HA 0.100 4.439 4.340 -0.003 0.000 0.272 267 L C 1.083 177.965 176.870 0.020 0.000 1.182 267 L CA 0.510 55.339 54.840 -0.018 0.000 0.858 267 L CB 0.819 42.727 42.059 -0.251 0.000 1.120 267 L HN 0.307 nan 8.230 nan 0.000 0.474 268 E N 4.198 124.445 120.200 0.077 0.000 1.865 268 E HA 0.037 4.385 4.350 -0.003 0.000 0.269 268 E C 0.373 177.024 176.600 0.085 0.000 1.177 268 E CA -0.033 56.411 56.400 0.073 0.000 0.932 268 E CB 0.381 30.120 29.700 0.066 0.000 1.066 268 E HN 0.684 nan 8.360 nan 0.000 0.405 269 K N 1.331 121.755 120.400 0.039 0.000 2.062 269 K HA -0.108 4.210 4.320 -0.003 0.000 0.205 269 K C 2.114 178.720 176.600 0.010 0.000 1.051 269 K CA 1.234 57.531 56.287 0.017 0.000 0.941 269 K CB -0.007 32.505 32.500 0.019 0.000 0.719 269 K HN 0.440 nan 8.250 nan 0.000 0.440 270 S N 1.786 117.500 115.700 0.024 0.000 2.420 270 S HA -0.249 4.220 4.470 -0.003 0.000 0.237 270 S C 2.068 176.698 174.600 0.050 0.000 1.023 270 S CA 1.400 59.620 58.200 0.034 0.000 0.991 270 S CB -0.347 62.886 63.200 0.056 0.000 0.792 270 S HN 0.299 nan 8.310 nan 0.000 0.488 271 R N 0.937 121.449 120.500 0.021 0.000 2.092 271 R HA 0.003 4.341 4.340 -0.003 0.000 0.231 271 R C 1.970 178.241 176.300 -0.049 0.000 1.119 271 R CA 1.290 57.367 56.100 -0.039 0.000 0.970 271 R CB -0.638 29.567 30.300 -0.158 0.000 0.864 271 R HN 0.357 nan 8.270 nan 0.000 0.440 272 V N 0.613 120.511 119.914 -0.027 0.000 2.370 272 V HA -0.279 3.839 4.120 -0.003 0.000 0.252 272 V C 2.064 178.007 176.094 -0.250 0.000 1.068 272 V CA 2.391 64.647 62.300 -0.073 0.000 1.061 272 V CB -0.552 31.176 31.823 -0.157 0.000 0.656 272 V HN 0.742 nan 8.190 nan 0.000 0.455 273 T N -5.032 109.333 114.554 -0.314 0.000 3.003 273 T HA 0.185 4.534 4.350 -0.003 0.000 0.261 273 T C -0.099 174.512 174.700 -0.147 0.000 1.003 273 T CA -0.112 61.628 62.100 -0.599 0.000 0.917 273 T CB 0.094 68.453 68.868 -0.849 0.000 1.084 273 T HN 0.348 nan 8.240 nan 0.000 0.522 274 Y N 1.651 121.860 120.300 -0.151 0.000 2.442 274 Y HA 0.688 5.237 4.550 -0.002 0.000 0.344 274 Y C -1.580 174.294 175.900 -0.043 0.000 0.976 274 Y CA -1.209 56.855 58.100 -0.060 0.000 1.040 274 Y CB 1.923 40.355 38.460 -0.047 0.000 1.228 274 Y HN -0.037 nan 8.280 nan 0.000 0.451 275 Q N 3.701 122.999 119.800 -0.837 0.000 2.375 275 Q HA 0.411 4.750 4.340 -0.003 0.000 0.271 275 Q C -1.283 174.125 176.000 -0.986 0.000 1.074 275 Q CA -0.817 54.552 55.803 -0.723 0.000 0.808 275 Q CB 2.471 31.037 28.738 -0.287 0.000 1.327 275 Q HN 0.762 nan 8.270 nan 0.000 0.441 276 Q N 0.352 119.756 119.800 -0.659 0.000 2.221 276 Q HA 0.487 4.825 4.340 -0.003 0.000 0.242 276 Q C -0.388 175.500 176.000 -0.186 0.000 0.940 276 Q CA -0.398 55.197 55.803 -0.346 0.000 0.896 276 Q CB 1.317 29.960 28.738 -0.159 0.000 1.226 276 Q HN 0.686 nan 8.270 nan 0.000 0.463 277 S N 1.373 117.020 115.700 -0.089 0.000 2.561 277 S HA 0.116 4.584 4.470 -0.003 0.000 0.294 277 S C 0.286 174.848 174.600 -0.062 0.000 1.294 277 S CA 0.827 58.992 58.200 -0.058 0.000 1.055 277 S CB -0.098 63.087 63.200 -0.025 0.000 0.819 277 S HN 1.088 nan 8.310 nan 0.000 0.503 278 A N 2.532 125.320 122.820 -0.054 0.000 2.826 278 A HA -0.167 4.151 4.320 -0.003 0.000 0.274 278 A C 0.225 177.766 177.584 -0.071 0.000 1.443 278 A CA 1.700 53.705 52.037 -0.054 0.000 0.833 278 A CB -2.078 16.898 19.000 -0.040 0.000 1.023 278 A HN 0.821 nan 8.150 nan 0.000 0.600 279 E N -1.147 118.996 120.200 -0.093 0.000 2.343 279 E HA 0.642 4.991 4.350 -0.003 0.000 0.270 279 E C -0.045 176.485 176.600 -0.117 0.000 0.895 279 E CA -1.008 55.324 56.400 -0.113 0.000 0.767 279 E CB 1.628 31.244 29.700 -0.140 0.000 1.248 279 E HN 0.506 nan 8.360 nan 0.000 0.440 280 R N 0.973 121.398 120.500 -0.125 0.000 2.902 280 R HA 0.374 4.713 4.340 -0.003 0.000 0.258 280 R C 0.290 176.588 176.300 -0.003 0.000 1.071 280 R CA -0.898 55.153 56.100 -0.082 0.000 1.024 280 R CB 1.120 31.225 30.300 -0.325 0.000 1.184 280 R HN 0.448 nan 8.270 nan 0.000 0.492 281 N N 0.245 119.109 118.700 0.273 0.000 2.385 281 N HA 0.060 4.798 4.740 -0.003 0.000 0.291 281 N C -0.621 174.996 175.510 0.178 0.000 1.298 281 N CA 0.040 53.206 53.050 0.192 0.000 0.955 281 N CB 0.133 38.838 38.487 0.363 0.000 1.096 281 N HN 0.243 nan 8.380 nan 0.000 0.543 282 Y N 0.838 121.300 120.300 0.271 0.000 2.397 282 Y HA 0.040 4.588 4.550 -0.004 0.000 0.335 282 Y C 1.979 177.992 175.900 0.188 0.000 1.213 282 Y CA -0.172 57.974 58.100 0.076 0.000 1.391 282 Y CB 0.346 38.840 38.460 0.058 0.000 1.293 282 Y HN 0.488 nan 8.280 nan 0.000 0.557 283 H N 1.590 120.852 119.070 0.320 0.000 2.321 283 H HA -0.237 4.318 4.556 -0.001 0.000 0.295 283 H C 2.217 177.623 175.328 0.129 0.000 1.102 283 H CA 2.162 58.357 56.048 0.244 0.000 1.266 283 H CB -0.351 29.481 29.762 0.117 0.000 1.363 283 H HN 0.765 nan 8.280 nan 0.000 0.492 284 I N 0.907 121.484 120.570 0.013 0.000 2.143 284 I HA -0.325 3.843 4.170 -0.003 0.000 0.245 284 I C 2.004 178.014 176.117 -0.178 0.000 1.068 284 I CA 1.296 62.437 61.300 -0.266 0.000 1.326 284 I CB -0.670 36.911 38.000 -0.700 0.000 1.028 284 I HN -0.044 nan 8.210 nan 0.000 0.412 285 F N -0.169 119.779 119.950 -0.004 0.000 2.126 285 F HA -0.238 4.288 4.527 -0.001 0.000 0.299 285 F C 2.189 177.744 175.800 -0.409 0.000 1.096 285 F CA 1.693 59.549 58.000 -0.241 0.000 1.255 285 F CB -1.473 37.316 39.000 -0.351 0.000 0.997 285 F HN 0.163 nan 8.300 nan 0.000 0.479 286 Y N -0.464 119.912 120.300 0.126 0.000 2.583 286 Y HA -0.032 4.516 4.550 -0.003 0.000 0.293 286 Y C 2.081 177.926 175.900 -0.092 0.000 1.157 286 Y CA 0.282 58.401 58.100 0.031 0.000 1.315 286 Y CB -0.758 37.749 38.460 0.079 0.000 1.021 286 Y HN 0.195 nan 8.280 nan 0.000 0.536 287 Q N 0.206 119.937 119.800 -0.116 0.000 2.178 287 Q HA 0.004 4.343 4.340 -0.003 0.000 0.195 287 Q C 2.221 177.583 176.000 -1.064 0.000 0.960 287 Q CA 1.234 56.813 55.803 -0.373 0.000 0.843 287 Q CB -0.144 28.453 28.738 -0.236 0.000 0.927 287 Q HN 0.669 nan 8.270 nan 0.000 0.487 288 I N -2.139 117.799 120.570 -1.054 0.000 2.916 288 I HA -0.091 4.077 4.170 -0.003 0.000 0.267 288 I C 1.313 177.113 176.117 -0.528 0.000 1.263 288 I CA 0.691 61.357 61.300 -1.056 0.000 1.471 288 I CB -0.146 37.514 38.000 -0.567 0.000 1.089 288 I HN 0.056 nan 8.210 nan 0.000 0.468 289 C N 1.227 120.311 119.300 -0.359 0.000 2.855 289 C HA 0.229 4.688 4.460 -0.003 0.000 0.279 289 C C 2.742 177.676 174.990 -0.093 0.000 1.270 289 C CA 0.486 59.398 59.018 -0.177 0.000 1.702 289 C CB -1.289 26.371 27.740 -0.132 0.000 1.949 289 C HN 0.737 nan 8.230 nan 0.000 0.618 290 S N 0.681 116.297 115.700 -0.141 0.000 2.458 290 S HA -0.037 4.432 4.470 -0.003 0.000 0.223 290 S C 1.037 175.651 174.600 0.022 0.000 1.019 290 S CA 0.935 59.119 58.200 -0.027 0.000 0.937 290 S CB -0.440 62.761 63.200 0.002 0.000 0.788 290 S HN 0.691 nan 8.310 nan 0.000 0.511 291 N N 0.375 119.087 118.700 0.020 0.000 2.815 291 N HA -0.195 4.543 4.740 -0.003 0.000 0.249 291 N C 0.630 176.210 175.510 0.116 0.000 1.114 291 N CA 0.680 53.772 53.050 0.070 0.000 0.717 291 N CB -1.508 37.008 38.487 0.049 0.000 1.074 291 N HN 0.635 nan 8.380 nan 0.000 0.555 292 A N 0.024 122.968 122.820 0.206 0.000 2.119 292 A HA 0.242 4.561 4.320 -0.003 0.000 0.216 292 A C 1.302 178.954 177.584 0.113 0.000 1.152 292 A CA 0.764 52.907 52.037 0.176 0.000 0.708 292 A CB 0.258 19.408 19.000 0.249 0.000 0.805 292 A HN 0.400 nan 8.150 nan 0.000 0.460 293 I N -0.538 120.126 120.570 0.157 0.000 2.926 293 I HA 0.173 4.342 4.170 -0.003 0.000 0.295 293 I C -2.177 174.002 176.117 0.103 0.000 1.463 293 I CA -1.441 59.902 61.300 0.071 0.000 0.892 293 I CB 1.698 39.667 38.000 -0.052 0.000 1.874 293 I HN -0.014 nan 8.210 nan 0.000 0.620 294 P HA -0.268 nan 4.420 nan 0.000 0.218 294 P C 1.355 178.697 177.300 0.069 0.000 1.154 294 P CA 1.553 64.696 63.100 0.072 0.000 0.872 294 P CB 0.022 31.755 31.700 0.054 0.000 0.790 295 E N -0.528 119.709 120.200 0.061 0.000 2.393 295 E HA -0.179 4.169 4.350 -0.003 0.000 0.201 295 E C 1.631 178.278 176.600 0.077 0.000 1.025 295 E CA 0.960 57.396 56.400 0.060 0.000 0.856 295 E CB -0.960 28.770 29.700 0.049 0.000 0.771 295 E HN 0.349 nan 8.360 nan 0.000 0.526 296 L N 0.169 121.448 121.223 0.093 0.000 2.408 296 L HA 0.063 4.401 4.340 -0.003 0.000 0.215 296 L C 1.852 178.787 176.870 0.109 0.000 1.081 296 L CA 0.214 55.125 54.840 0.119 0.000 0.840 296 L CB -0.263 41.882 42.059 0.143 0.000 1.002 296 L HN 0.076 nan 8.230 nan 0.000 0.468 297 N N 0.428 119.182 118.700 0.090 0.000 2.144 297 N HA -0.280 4.458 4.740 -0.003 0.000 0.195 297 N C 1.539 177.106 175.510 0.095 0.000 1.006 297 N CA 1.891 54.989 53.050 0.079 0.000 0.880 297 N CB 0.045 38.573 38.487 0.069 0.000 1.018 297 N HN 0.419 nan 8.380 nan 0.000 0.443 298 E N -0.124 120.133 120.200 0.094 0.000 2.051 298 E HA -0.062 4.287 4.350 -0.003 0.000 0.189 298 E C 1.930 178.611 176.600 0.134 0.000 0.979 298 E CA 0.864 57.324 56.400 0.101 0.000 0.803 298 E CB 0.127 29.876 29.700 0.081 0.000 0.761 298 E HN 0.158 nan 8.360 nan 0.000 0.451 299 V N 1.277 121.271 119.914 0.134 0.000 2.828 299 V HA -0.236 3.882 4.120 -0.003 0.000 0.260 299 V C 1.955 178.147 176.094 0.164 0.000 1.101 299 V CA 1.520 63.909 62.300 0.148 0.000 1.123 299 V CB -0.581 31.321 31.823 0.132 0.000 0.704 299 V HN 0.308 nan 8.190 nan 0.000 0.493 300 M N -1.765 117.933 119.600 0.164 0.000 2.653 300 M HA 0.339 4.817 4.480 -0.003 0.000 0.259 300 M C 1.066 177.496 176.300 0.218 0.000 1.244 300 M CA 0.363 55.767 55.300 0.173 0.000 1.163 300 M CB 0.563 33.240 32.600 0.128 0.000 1.309 300 M HN 0.133 nan 8.290 nan 0.000 0.509 301 L N 1.309 122.647 121.223 0.192 0.000 4.021 301 L HA -0.125 4.214 4.340 -0.003 0.000 0.400 301 L C -1.032 176.003 176.870 0.275 0.000 1.180 301 L CA -0.305 54.656 54.840 0.201 0.000 0.904 301 L CB -0.892 41.278 42.059 0.185 0.000 2.111 301 L HN 0.234 nan 8.230 nan 0.000 0.722 302 I N -0.673 120.011 120.570 0.190 0.000 2.648 302 I HA 0.399 4.568 4.170 -0.003 0.000 0.304 302 I C 0.581 176.790 176.117 0.154 0.000 1.009 302 I CA -0.548 60.851 61.300 0.165 0.000 1.114 302 I CB 1.961 39.942 38.000 -0.031 0.000 1.293 302 I HN -0.075 nan 8.210 nan 0.000 0.449 303 T N 4.673 119.367 114.554 0.233 0.000 2.749 303 T HA 0.230 4.579 4.350 -0.003 0.000 0.287 303 T C -2.170 172.614 174.700 0.140 0.000 0.970 303 T CA -1.264 60.933 62.100 0.162 0.000 0.980 303 T CB 1.129 70.084 68.868 0.145 0.000 0.924 303 T HN 0.329 nan 8.240 nan 0.000 0.456 304 P HA -0.072 nan 4.420 nan 0.000 0.302 304 P C -0.331 177.010 177.300 0.069 0.000 1.472 304 P CA 0.814 63.946 63.100 0.054 0.000 0.748 304 P CB -0.130 31.597 31.700 0.044 0.000 1.560 305 D N -0.937 119.531 120.400 0.112 0.000 2.471 305 D HA 0.155 4.794 4.640 -0.003 0.000 0.245 305 D C 0.610 177.010 176.300 0.166 0.000 1.116 305 D CA -0.365 53.702 54.000 0.111 0.000 0.853 305 D CB 1.380 42.226 40.800 0.076 0.000 1.123 305 D HN -0.174 nan 8.370 nan 0.000 0.540 306 S N 1.929 117.709 115.700 0.133 0.000 2.387 306 S HA -0.032 4.436 4.470 -0.003 0.000 0.226 306 S C 1.842 176.542 174.600 0.167 0.000 1.026 306 S CA 0.888 59.174 58.200 0.143 0.000 0.972 306 S CB 0.084 63.410 63.200 0.211 0.000 0.814 306 S HN 0.680 nan 8.310 nan 0.000 0.477 307 G N 0.623 109.499 108.800 0.126 0.000 2.990 307 G HA2 0.032 3.990 3.960 -0.003 0.000 0.206 307 G HA3 0.032 3.990 3.960 -0.003 0.000 0.206 307 G C 1.037 175.956 174.900 0.032 0.000 1.169 307 G CA 0.091 45.242 45.100 0.084 0.000 0.819 307 G HN 0.326 nan 8.290 nan 0.000 0.517 308 L N -0.747 120.492 121.223 0.027 0.000 2.298 308 L HA 0.392 4.731 4.340 -0.003 0.000 0.209 308 L C 0.077 176.734 176.870 -0.354 0.000 1.084 308 L CA 0.184 54.905 54.840 -0.197 0.000 0.816 308 L CB -0.098 41.761 42.059 -0.333 0.000 0.967 308 L HN 0.193 nan 8.230 nan 0.000 0.460 309 Y N -0.829 119.426 120.300 -0.075 0.000 2.330 309 Y HA 0.244 4.793 4.550 -0.002 0.000 0.336 309 Y C 1.803 177.651 175.900 -0.087 0.000 1.036 309 Y CA -0.333 57.699 58.100 -0.114 0.000 1.125 309 Y CB 0.864 39.222 38.460 -0.171 0.000 1.194 309 Y HN 0.034 nan 8.280 nan 0.000 0.469 310 S N 1.075 116.779 115.700 0.006 0.000 2.442 310 S HA -0.166 4.303 4.470 -0.003 0.000 0.236 310 S C 1.381 176.090 174.600 0.181 0.000 1.007 310 S CA 1.008 59.228 58.200 0.033 0.000 0.965 310 S CB -0.395 62.785 63.200 -0.033 0.000 0.773 310 S HN 0.556 nan 8.310 nan 0.000 0.504 311 F N 1.916 121.852 119.950 -0.024 0.000 2.780 311 F HA 0.368 4.894 4.527 -0.003 0.000 0.299 311 F C 1.695 177.401 175.800 -0.158 0.000 1.146 311 F CA -0.772 57.171 58.000 -0.094 0.000 1.428 311 F CB -0.400 38.498 39.000 -0.169 0.000 1.115 311 F HN 0.420 nan 8.300 nan 0.000 0.583 312 I N -3.417 117.183 120.570 0.051 0.000 4.541 312 I HA 0.215 4.383 4.170 -0.003 0.000 0.337 312 I C 0.667 176.857 176.117 0.121 0.000 1.338 312 I CA 0.044 61.346 61.300 0.003 0.000 1.244 312 I CB -0.419 37.426 38.000 -0.258 0.000 1.417 312 I HN 0.012 nan 8.210 nan 0.000 0.501 313 N N 0.698 119.460 118.700 0.104 0.000 2.295 313 N HA 0.138 4.876 4.740 -0.003 0.000 0.221 313 N C 0.919 176.472 175.510 0.072 0.000 1.129 313 N CA -0.308 52.805 53.050 0.104 0.000 0.836 313 N CB 0.299 38.833 38.487 0.079 0.000 1.040 313 N HN 0.509 nan 8.380 nan 0.000 0.494 314 Q N 0.498 120.333 119.800 0.059 0.000 2.089 314 Q HA 0.097 4.435 4.340 -0.003 0.000 0.195 314 Q C 1.598 177.593 176.000 -0.010 0.000 0.963 314 Q CA 1.210 57.028 55.803 0.025 0.000 0.834 314 Q CB 0.077 28.820 28.738 0.009 0.000 0.906 314 Q HN 0.455 nan 8.270 nan 0.000 0.452 315 G N 0.686 109.465 108.800 -0.035 0.000 3.287 315 G HA2 0.115 4.074 3.960 -0.003 0.000 0.172 315 G HA3 0.115 4.074 3.960 -0.003 0.000 0.172 315 G C 0.317 175.204 174.900 -0.022 0.000 1.922 315 G CA 0.281 45.349 45.100 -0.053 0.000 0.952 315 G HN 0.517 nan 8.290 nan 0.000 0.520 316 C N -1.620 117.658 119.300 -0.037 0.000 2.423 316 C HA 0.807 5.266 4.460 -0.003 0.000 0.378 316 C C 1.371 176.339 174.990 -0.038 0.000 1.244 316 C CA -0.768 58.231 59.018 -0.032 0.000 1.978 316 C CB 0.553 28.263 27.740 -0.049 0.000 2.252 316 C HN 0.481 nan 8.230 nan 0.000 0.526 317 L N 0.596 121.799 121.223 -0.033 0.000 2.642 317 L HA 0.233 4.571 4.340 -0.003 0.000 0.233 317 L C 1.186 177.978 176.870 -0.129 0.000 1.077 317 L CA 0.532 55.354 54.840 -0.030 0.000 0.879 317 L CB -0.174 41.933 42.059 0.081 0.000 1.151 317 L HN 0.974 nan 8.230 nan 0.000 0.495 318 T N -1.604 112.890 114.554 -0.099 0.000 2.949 318 T HA 0.736 5.084 4.350 -0.003 0.000 0.287 318 T C -0.381 174.258 174.700 -0.103 0.000 1.034 318 T CA -0.694 61.351 62.100 -0.092 0.000 1.018 318 T CB 2.615 71.460 68.868 -0.040 0.000 1.135 318 T HN -0.205 nan 8.240 nan 0.000 0.532 319 V N 1.219 121.084 119.914 -0.081 0.000 2.760 319 V HA 0.310 4.429 4.120 -0.003 0.000 0.309 319 V C 0.173 176.241 176.094 -0.044 0.000 1.077 319 V CA -0.894 61.367 62.300 -0.064 0.000 0.910 319 V CB 2.078 33.858 31.823 -0.071 0.000 1.008 319 V HN 0.967 nan 8.190 nan 0.000 0.424 320 D N 2.586 122.967 120.400 -0.032 0.000 2.077 320 D HA -0.146 4.492 4.640 -0.003 0.000 0.193 320 D C 1.358 177.645 176.300 -0.021 0.000 0.989 320 D CA 2.247 56.233 54.000 -0.023 0.000 0.831 320 D CB 0.013 40.803 40.800 -0.018 0.000 0.979 320 D HN 0.877 nan 8.370 nan 0.000 0.449 321 N N 0.322 119.010 118.700 -0.020 0.000 2.421 321 N HA 0.044 4.783 4.740 -0.003 0.000 0.201 321 N C -0.058 175.430 175.510 -0.036 0.000 1.198 321 N CA 0.020 53.059 53.050 -0.019 0.000 0.838 321 N CB 0.314 38.797 38.487 -0.007 0.000 1.011 321 N HN 0.111 nan 8.380 nan 0.000 0.463 322 I N 0.955 121.496 120.570 -0.049 0.000 2.418 322 I HA 0.146 4.314 4.170 -0.003 0.000 0.287 322 I C -0.768 175.318 176.117 -0.050 0.000 1.008 322 I CA -0.503 60.750 61.300 -0.077 0.000 1.104 322 I CB 1.676 39.600 38.000 -0.127 0.000 1.264 322 I HN 0.078 nan 8.210 nan 0.000 0.438 323 D N 6.386 126.763 120.400 -0.038 0.000 2.499 323 D HA 0.124 4.763 4.640 -0.003 0.000 0.225 323 D C 0.792 177.093 176.300 0.002 0.000 1.124 323 D CA -0.218 53.776 54.000 -0.010 0.000 0.938 323 D CB 0.802 41.601 40.800 -0.001 0.000 1.014 323 D HN 0.383 nan 8.370 nan 0.000 0.517 324 D N 1.838 122.244 120.400 0.009 0.000 2.271 324 D HA -0.132 4.506 4.640 -0.003 0.000 0.207 324 D C 1.854 178.199 176.300 0.074 0.000 0.983 324 D CA 0.792 54.815 54.000 0.039 0.000 0.878 324 D CB 0.795 41.637 40.800 0.070 0.000 0.920 324 D HN 0.303 nan 8.370 nan 0.000 0.479 325 V N 0.905 120.862 119.914 0.071 0.000 2.446 325 V HA -0.108 4.010 4.120 -0.003 0.000 0.244 325 V C 2.466 178.625 176.094 0.108 0.000 1.039 325 V CA 1.053 63.416 62.300 0.105 0.000 1.045 325 V CB -0.074 31.794 31.823 0.075 0.000 0.681 325 V HN 0.008 nan 8.190 nan 0.000 0.459 326 E N 0.225 120.462 120.200 0.063 0.000 2.047 326 E HA -0.221 4.128 4.350 -0.003 0.000 0.191 326 E C 2.236 178.867 176.600 0.052 0.000 0.987 326 E CA 1.226 57.651 56.400 0.043 0.000 0.799 326 E CB -0.077 29.635 29.700 0.020 0.000 0.752 326 E HN 0.533 nan 8.360 nan 0.000 0.449 327 E N 0.108 120.342 120.200 0.057 0.000 2.118 327 E HA -0.165 4.183 4.350 -0.003 0.000 0.195 327 E C 1.782 178.464 176.600 0.137 0.000 0.992 327 E CA 0.621 57.057 56.400 0.060 0.000 0.804 327 E CB -0.449 29.262 29.700 0.019 0.000 0.741 327 E HN 0.171 nan 8.360 nan 0.000 0.458 328 F N 1.258 121.198 119.950 -0.016 0.000 2.146 328 F HA -0.051 4.475 4.527 -0.002 0.000 0.298 328 F C 1.721 177.523 175.800 0.004 0.000 1.096 328 F CA 1.416 59.403 58.000 -0.023 0.000 1.275 328 F CB -0.247 38.719 39.000 -0.056 0.000 1.008 328 F HN -0.062 nan 8.300 nan 0.000 0.480 329 K N 0.285 120.671 120.400 -0.024 0.000 2.009 329 K HA -0.192 4.127 4.320 -0.003 0.000 0.210 329 K C 2.131 178.683 176.600 -0.079 0.000 1.049 329 K CA 2.127 58.337 56.287 -0.128 0.000 0.929 329 K CB -0.645 31.831 32.500 -0.041 0.000 0.714 329 K HN 0.315 nan 8.250 nan 0.000 0.440 330 L N 0.612 121.826 121.223 -0.015 0.000 2.042 330 L HA -0.249 4.089 4.340 -0.003 0.000 0.210 330 L C 2.881 179.756 176.870 0.007 0.000 1.076 330 L CA 0.988 55.825 54.840 -0.005 0.000 0.749 330 L CB -0.607 41.452 42.059 0.001 0.000 0.893 330 L HN 0.413 nan 8.230 nan 0.000 0.432 331 C N 0.241 119.568 119.300 0.046 0.000 2.440 331 C HA -0.178 4.281 4.460 -0.003 0.000 0.278 331 C C 2.571 177.684 174.990 0.204 0.000 1.295 331 C CA 1.163 60.240 59.018 0.099 0.000 1.738 331 C CB -0.673 27.187 27.740 0.199 0.000 1.987 331 C HN 0.680 nan 8.230 nan 0.000 0.492 332 D N 0.342 120.815 120.400 0.122 0.000 2.123 332 D HA -0.219 4.420 4.640 -0.003 0.000 0.196 332 D C 2.109 178.485 176.300 0.127 0.000 0.992 332 D CA 1.972 56.054 54.000 0.136 0.000 0.833 332 D CB -0.324 40.396 40.800 -0.134 0.000 0.954 332 D HN 0.626 nan 8.370 nan 0.000 0.455 333 E N -0.085 120.142 120.200 0.046 0.000 2.107 333 E HA -0.018 4.331 4.350 -0.003 0.000 0.191 333 E C 1.895 178.510 176.600 0.026 0.000 0.982 333 E CA 1.235 57.653 56.400 0.030 0.000 0.809 333 E CB -0.607 29.094 29.700 0.001 0.000 0.756 333 E HN 0.311 nan 8.360 nan 0.000 0.459 334 A N -0.041 122.773 122.820 -0.010 0.000 1.892 334 A HA -0.190 4.128 4.320 -0.003 0.000 0.218 334 A C 2.083 179.554 177.584 -0.189 0.000 1.188 334 A CA 1.695 53.654 52.037 -0.130 0.000 0.631 334 A CB -1.124 17.731 19.000 -0.241 0.000 0.822 334 A HN 0.398 nan 8.150 nan 0.000 0.447 335 F N 0.410 120.276 119.950 -0.140 0.000 2.365 335 F HA -0.130 4.397 4.527 -0.000 0.000 0.300 335 F C 2.099 177.905 175.800 0.011 0.000 1.090 335 F CA 1.320 59.182 58.000 -0.228 0.000 1.408 335 F CB -0.095 38.667 39.000 -0.396 0.000 1.060 335 F HN 0.249 nan 8.300 nan 0.000 0.534 336 D N 0.423 120.924 120.400 0.169 0.000 2.091 336 D HA -0.095 4.543 4.640 -0.003 0.000 0.199 336 D C 2.443 178.802 176.300 0.098 0.000 0.980 336 D CA 1.258 55.340 54.000 0.136 0.000 0.831 336 D CB -0.426 40.426 40.800 0.087 0.000 0.987 336 D HN 0.234 nan 8.370 nan 0.000 0.460 337 I N 1.054 121.655 120.570 0.050 0.000 2.399 337 I HA -0.241 3.927 4.170 -0.003 0.000 0.254 337 I C 2.330 178.470 176.117 0.038 0.000 1.146 337 I CA 0.747 62.062 61.300 0.027 0.000 1.412 337 I CB -0.230 37.767 38.000 -0.004 0.000 1.076 337 I HN -0.034 nan 8.210 nan 0.000 0.432 338 L N 0.330 121.593 121.223 0.066 0.000 2.313 338 L HA 0.081 4.420 4.340 -0.003 0.000 0.214 338 L C 1.487 178.462 176.870 0.175 0.000 1.119 338 L CA 0.826 55.733 54.840 0.111 0.000 0.809 338 L CB -0.350 41.792 42.059 0.138 0.000 0.933 338 L HN 0.520 nan 8.230 nan 0.000 0.449 339 G N -0.573 108.351 108.800 0.207 0.000 2.167 339 G HA2 -0.242 3.717 3.960 -0.003 0.000 0.194 339 G HA3 -0.242 3.717 3.960 -0.003 0.000 0.194 339 G C -0.157 174.860 174.900 0.194 0.000 1.027 339 G CA -0.723 44.467 45.100 0.150 0.000 0.717 339 G HN 0.027 nan 8.290 nan 0.000 0.501 340 F N 1.746 121.755 119.950 0.097 0.000 2.396 340 F HA 0.546 5.072 4.527 -0.001 0.000 0.343 340 F C 1.440 177.271 175.800 0.051 0.000 1.104 340 F CA 0.145 58.215 58.000 0.117 0.000 1.161 340 F CB 1.231 40.375 39.000 0.240 0.000 1.146 340 F HN 0.038 nan 8.300 nan 0.000 0.522 341 T N 3.237 117.870 114.554 0.132 0.000 2.828 341 T HA 0.070 4.419 4.350 -0.003 0.000 0.290 341 T C 1.423 176.154 174.700 0.053 0.000 1.019 341 T CA -0.698 61.440 62.100 0.063 0.000 1.031 341 T CB 1.110 69.983 68.868 0.008 0.000 1.001 341 T HN 0.640 nan 8.240 nan 0.000 0.531 342 K N 0.876 121.289 120.400 0.021 0.000 2.097 342 K HA -0.186 4.132 4.320 -0.003 0.000 0.206 342 K C 2.149 178.723 176.600 -0.043 0.000 1.049 342 K CA 1.836 58.119 56.287 -0.006 0.000 0.933 342 K CB -0.024 32.479 32.500 0.005 0.000 0.717 342 K HN 0.777 nan 8.250 nan 0.000 0.442 343 E N 0.663 120.840 120.200 -0.037 0.000 2.051 343 E HA -0.227 4.121 4.350 -0.003 0.000 0.192 343 E C 1.615 178.155 176.600 -0.101 0.000 0.991 343 E CA 1.543 57.905 56.400 -0.064 0.000 0.799 343 E CB -0.270 29.396 29.700 -0.056 0.000 0.748 343 E HN 0.410 nan 8.360 nan 0.000 0.449 344 E N 1.521 121.681 120.200 -0.068 0.000 2.007 344 E HA -0.223 4.126 4.350 -0.003 0.000 0.194 344 E C 2.177 178.695 176.600 -0.137 0.000 0.999 344 E CA 1.146 57.507 56.400 -0.063 0.000 0.811 344 E CB -0.323 29.420 29.700 0.072 0.000 0.762 344 E HN 0.213 nan 8.360 nan 0.000 0.450 345 K N 0.605 120.928 120.400 -0.127 0.000 2.071 345 K HA -0.248 4.071 4.320 -0.003 0.000 0.217 345 K C 2.277 178.385 176.600 -0.819 0.000 1.054 345 K CA 2.375 58.304 56.287 -0.597 0.000 0.937 345 K CB -0.280 31.925 32.500 -0.493 0.000 0.719 345 K HN 0.075 nan 8.250 nan 0.000 0.454 346 T N 0.483 114.773 114.554 -0.440 0.000 2.684 346 T HA -0.121 4.228 4.350 -0.003 0.000 0.267 346 T C 2.028 176.595 174.700 -0.222 0.000 1.036 346 T CA 1.650 63.594 62.100 -0.261 0.000 1.148 346 T CB -0.324 68.501 68.868 -0.072 0.000 0.863 346 T HN 0.282 nan 8.240 nan 0.000 0.436 347 S N 1.177 116.737 115.700 -0.233 0.000 2.372 347 S HA -0.171 4.298 4.470 -0.003 0.000 0.227 347 S C 2.121 176.579 174.600 -0.236 0.000 1.044 347 S CA 1.203 59.267 58.200 -0.227 0.000 1.050 347 S CB -0.405 62.617 63.200 -0.297 0.000 0.901 347 S HN 0.306 nan 8.310 nan 0.000 0.447 348 M N 0.534 119.931 119.600 -0.338 0.000 2.115 348 M HA -0.097 4.382 4.480 -0.003 0.000 0.258 348 M C 1.942 178.206 176.300 -0.060 0.000 1.071 348 M CA 1.687 56.802 55.300 -0.309 0.000 1.100 348 M CB -1.708 30.591 32.600 -0.501 0.000 1.292 348 M HN 0.287 nan 8.290 nan 0.000 0.415 349 F N 0.677 120.609 119.950 -0.030 0.000 2.192 349 F HA -0.185 4.339 4.527 -0.005 0.000 0.301 349 F C 2.401 178.223 175.800 0.036 0.000 1.079 349 F CA 1.014 59.043 58.000 0.048 0.000 1.303 349 F CB -1.379 37.671 39.000 0.083 0.000 1.024 349 F HN 0.235 nan 8.300 nan 0.000 0.494 350 K N -0.408 120.087 120.400 0.160 0.000 1.984 350 K HA -0.127 4.191 4.320 -0.003 0.000 0.209 350 K C 2.135 178.784 176.600 0.081 0.000 1.046 350 K CA 1.751 58.095 56.287 0.095 0.000 0.934 350 K CB -0.654 31.848 32.500 0.003 0.000 0.717 350 K HN 0.209 nan 8.250 nan 0.000 0.438 351 C N 0.794 120.106 119.300 0.021 0.000 2.419 351 C HA -0.070 4.388 4.460 -0.003 0.000 0.281 351 C C 2.639 177.691 174.990 0.104 0.000 1.336 351 C CA 0.890 59.926 59.018 0.030 0.000 1.770 351 C CB -0.917 26.794 27.740 -0.048 0.000 1.929 351 C HN 0.541 nan 8.230 nan 0.000 0.509 352 T N 1.110 115.744 114.554 0.133 0.000 2.809 352 T HA -0.017 4.332 4.350 -0.003 0.000 0.260 352 T C 2.258 177.137 174.700 0.298 0.000 1.039 352 T CA 1.440 63.685 62.100 0.241 0.000 1.141 352 T CB -0.399 68.630 68.868 0.267 0.000 0.869 352 T HN 0.607 nan 8.240 nan 0.000 0.437 353 A N 2.290 125.228 122.820 0.196 0.000 1.908 353 A HA -0.155 4.163 4.320 -0.003 0.000 0.218 353 A C 2.552 180.172 177.584 0.060 0.000 1.181 353 A CA 2.336 54.426 52.037 0.089 0.000 0.627 353 A CB -1.082 17.978 19.000 0.101 0.000 0.818 353 A HN 0.602 nan 8.150 nan 0.000 0.445 354 S N 0.419 116.224 115.700 0.175 0.000 2.402 354 S HA -0.182 4.287 4.470 -0.003 0.000 0.233 354 S C 1.736 176.450 174.600 0.190 0.000 1.030 354 S CA 1.572 59.908 58.200 0.227 0.000 1.003 354 S CB -0.878 62.433 63.200 0.184 0.000 0.813 354 S HN 0.543 nan 8.310 nan 0.000 0.477 355 I N 1.330 122.024 120.570 0.207 0.000 2.361 355 I HA -0.132 4.037 4.170 -0.003 0.000 0.251 355 I C 2.295 178.516 176.117 0.173 0.000 1.133 355 I CA 1.007 62.464 61.300 0.263 0.000 1.413 355 I CB -0.520 37.700 38.000 0.366 0.000 1.073 355 I HN 0.273 nan 8.210 nan 0.000 0.424 356 L N -0.044 121.136 121.223 -0.071 0.000 2.083 356 L HA -0.219 4.119 4.340 -0.003 0.000 0.209 356 L C 2.679 179.435 176.870 -0.190 0.000 1.083 356 L CA 1.197 55.858 54.840 -0.298 0.000 0.752 356 L CB -0.819 40.781 42.059 -0.764 0.000 0.899 356 L HN 0.365 nan 8.230 nan 0.000 0.433 357 H N -0.848 118.253 119.070 0.051 0.000 2.436 357 H HA -0.001 4.554 4.556 -0.002 0.000 0.294 357 H C 2.345 177.671 175.328 -0.003 0.000 1.048 357 H CA 1.021 57.110 56.048 0.069 0.000 1.353 357 H CB -0.068 29.744 29.762 0.082 0.000 1.414 357 H HN 0.359 nan 8.280 nan 0.000 0.536 358 M N -0.044 119.636 119.600 0.134 0.000 2.149 358 M HA -0.078 4.400 4.480 -0.003 0.000 0.261 358 M C 2.438 178.677 176.300 -0.102 0.000 1.064 358 M CA 1.526 56.898 55.300 0.120 0.000 1.102 358 M CB -0.500 32.256 32.600 0.261 0.000 1.369 358 M HN 0.231 nan 8.290 nan 0.000 0.408 359 G N -0.377 108.065 108.800 -0.597 0.000 2.534 359 G HA2 -0.111 3.848 3.960 -0.003 0.000 0.217 359 G HA3 -0.111 3.848 3.960 -0.003 0.000 0.217 359 G C 1.355 175.888 174.900 -0.612 0.000 1.128 359 G CA 0.332 44.512 45.100 -1.533 0.000 0.784 359 G HN 0.343 nan 8.290 nan 0.000 0.542 360 E N -0.053 119.979 120.200 -0.279 0.000 2.479 360 E HA 0.170 4.518 4.350 -0.003 0.000 0.193 360 E C 0.924 177.459 176.600 -0.108 0.000 1.049 360 E CA -0.145 56.171 56.400 -0.139 0.000 0.870 360 E CB 0.123 29.808 29.700 -0.024 0.000 0.944 360 E HN 0.407 nan 8.360 nan 0.000 0.492 361 M N 1.722 121.267 119.600 -0.092 0.000 2.227 361 M HA 0.070 4.549 4.480 -0.003 0.000 0.349 361 M C 0.243 176.399 176.300 -0.240 0.000 1.443 361 M CA 0.740 55.941 55.300 -0.165 0.000 1.110 361 M CB 0.454 33.015 32.600 -0.064 0.000 1.773 361 M HN -0.355 nan 8.290 nan 0.000 0.463 362 K N 3.110 123.268 120.400 -0.404 0.000 2.156 362 K HA 0.710 5.028 4.320 -0.003 0.000 0.250 362 K C -1.312 174.896 176.600 -0.653 0.000 0.955 362 K CA -0.519 55.586 56.287 -0.302 0.000 0.855 362 K CB 1.680 34.083 32.500 -0.162 0.000 1.101 362 K HN 0.350 nan 8.250 nan 0.000 0.434 363 F N 0.778 120.725 119.950 -0.004 0.000 2.565 363 F HA 0.354 4.880 4.527 -0.003 0.000 0.313 363 F C -0.012 175.788 175.800 0.000 0.000 1.091 363 F CA -0.948 57.053 58.000 0.001 0.000 0.915 363 F CB 1.905 40.910 39.000 0.008 0.000 1.208 363 F HN 0.239 nan 8.300 nan 0.000 0.453 364 K N 2.675 123.163 120.400 0.148 0.000 2.211 364 K HA 0.348 4.667 4.320 -0.003 0.000 0.275 364 K C -0.776 175.880 176.600 0.094 0.000 1.024 364 K CA -0.584 55.755 56.287 0.086 0.000 0.887 364 K CB 0.834 33.358 32.500 0.040 0.000 1.084 364 K HN 0.764 nan 8.250 nan 0.000 0.463 365 Q N 3.988 123.830 119.800 0.070 0.000 2.278 365 Q HA 0.281 4.620 4.340 -0.003 0.000 0.257 365 Q C -0.223 175.799 176.000 0.037 0.000 0.928 365 Q CA -0.902 54.932 55.803 0.053 0.000 0.932 365 Q CB 1.694 30.458 28.738 0.044 0.000 1.221 365 Q HN 0.419 nan 8.270 nan 0.000 0.434 366 R N 2.677 123.195 120.500 0.032 0.000 3.160 366 R HA -0.106 4.232 4.340 -0.003 0.000 0.289 366 R C -1.514 174.797 176.300 0.019 0.000 1.014 366 R CA 0.017 56.130 56.100 0.023 0.000 1.188 366 R CB -0.200 30.112 30.300 0.019 0.000 1.177 366 R HN 0.601 nan 8.270 nan 0.000 0.523 367 P HA -0.012 nan 4.420 nan 0.000 0.206 367 P C 0.130 177.436 177.300 0.012 0.000 1.212 367 P CA 1.187 64.294 63.100 0.012 0.000 0.919 367 P CB 0.197 31.902 31.700 0.009 0.000 0.755 368 R N -0.819 119.688 120.500 0.010 0.000 2.577 368 R HA 0.218 4.556 4.340 -0.003 0.000 0.344 368 R C 0.630 176.936 176.300 0.009 0.000 1.037 368 R CA 0.156 56.261 56.100 0.009 0.000 1.102 368 R CB -0.151 30.154 30.300 0.008 0.000 1.313 368 R HN 0.226 nan 8.270 nan 0.000 0.561 369 E N -0.163 120.043 120.200 0.011 0.000 3.388 369 E HA 0.202 4.550 4.350 -0.003 0.000 0.271 369 E C -0.345 176.261 176.600 0.010 0.000 0.808 369 E CA -0.555 55.851 56.400 0.010 0.000 1.710 369 E CB 0.504 30.210 29.700 0.010 0.000 1.831 369 E HN 0.180 nan 8.360 nan 0.000 0.541 370 E N 0.456 120.662 120.200 0.010 0.000 3.306 370 E HA 0.235 4.583 4.350 -0.003 0.000 0.197 370 E C -0.447 176.158 176.600 0.007 0.000 0.980 370 E CA -0.077 56.328 56.400 0.008 0.000 1.259 370 E CB 1.207 30.911 29.700 0.006 0.000 1.112 370 E HN 0.191 nan 8.360 nan 0.000 0.458 371 Q N 0.421 120.228 119.800 0.011 0.000 2.522 371 Q HA 0.656 4.994 4.340 -0.003 0.000 0.285 371 Q C -1.626 174.388 176.000 0.023 0.000 0.982 371 Q CA -0.547 55.263 55.803 0.012 0.000 0.805 371 Q CB 2.963 31.709 28.738 0.013 0.000 1.457 371 Q HN 0.253 nan 8.270 nan 0.000 0.394 372 A N 1.018 123.855 122.820 0.027 0.000 2.346 372 A HA 0.854 5.172 4.320 -0.003 0.000 0.313 372 A C -1.172 176.465 177.584 0.088 0.000 1.140 372 A CA -0.344 51.727 52.037 0.057 0.000 0.826 372 A CB 1.957 20.984 19.000 0.045 0.000 1.332 372 A HN 0.671 nan 8.150 nan 0.000 0.457 373 E N 0.126 120.410 120.200 0.139 0.000 2.354 373 E HA 0.453 4.801 4.350 -0.003 0.000 0.283 373 E C -0.302 176.407 176.600 0.183 0.000 0.938 373 E CA -0.294 56.193 56.400 0.146 0.000 0.777 373 E CB 1.665 31.411 29.700 0.076 0.000 1.222 373 E HN 0.976 nan 8.360 nan 0.000 0.423 374 S N 2.498 118.300 115.700 0.169 0.000 2.589 374 S HA -0.022 4.447 4.470 -0.003 0.000 0.256 374 S C 0.216 174.753 174.600 -0.105 0.000 1.383 374 S CA 0.344 58.504 58.200 -0.068 0.000 0.983 374 S CB 0.548 63.645 63.200 -0.171 0.000 0.908 374 S HN 0.625 nan 8.310 nan 0.000 0.572 375 D N -0.815 119.455 120.400 -0.217 0.000 2.621 375 D HA 0.530 5.168 4.640 -0.003 0.000 0.274 375 D C 0.007 176.214 176.300 -0.154 0.000 1.215 375 D CA 0.796 54.712 54.000 -0.139 0.000 0.810 375 D CB 0.062 40.795 40.800 -0.111 0.000 1.248 375 D HN 1.136 nan 8.370 nan 0.000 0.517 376 G N 0.156 108.878 108.800 -0.130 0.000 2.408 376 G HA2 0.021 3.980 3.960 -0.003 0.000 0.682 376 G HA3 0.021 3.980 3.960 -0.003 0.000 0.682 376 G C 0.280 175.105 174.900 -0.125 0.000 1.303 376 G CA 0.004 45.035 45.100 -0.116 0.000 0.966 376 G HN 0.210 nan 8.290 nan 0.000 0.560 377 T N -0.424 114.068 114.554 -0.103 0.000 3.123 377 T HA 0.450 4.799 4.350 -0.003 0.000 0.266 377 T C 2.387 177.035 174.700 -0.088 0.000 0.873 377 T CA 1.468 63.513 62.100 -0.092 0.000 0.854 377 T CB 0.170 68.999 68.868 -0.066 0.000 1.254 377 T HN 1.842 nan 8.240 nan 0.000 0.570 378 A N 2.064 124.829 122.820 -0.091 0.000 1.940 378 A HA -0.263 4.055 4.320 -0.003 0.000 0.221 378 A C 2.074 179.594 177.584 -0.107 0.000 1.190 378 A CA 2.250 54.230 52.037 -0.096 0.000 0.647 378 A CB -0.457 18.491 19.000 -0.087 0.000 0.821 378 A HN 0.422 nan 8.150 nan 0.000 0.457 379 E N -0.473 119.673 120.200 -0.091 0.000 2.051 379 E HA 0.144 4.492 4.350 -0.003 0.000 0.189 379 E C 2.282 178.859 176.600 -0.038 0.000 0.979 379 E CA 1.258 57.622 56.400 -0.059 0.000 0.803 379 E CB -0.629 29.045 29.700 -0.044 0.000 0.761 379 E HN 0.556 nan 8.360 nan 0.000 0.451 380 A N 0.606 123.396 122.820 -0.050 0.000 2.019 380 A HA -0.192 4.126 4.320 -0.003 0.000 0.219 380 A C 1.966 179.549 177.584 -0.002 0.000 1.164 380 A CA 1.587 53.617 52.037 -0.013 0.000 0.644 380 A CB -0.350 18.631 19.000 -0.032 0.000 0.805 380 A HN 0.184 nan 8.150 nan 0.000 0.449 381 E N -0.310 119.872 120.200 -0.031 0.000 2.060 381 E HA -0.064 4.284 4.350 -0.003 0.000 0.189 381 E C 1.953 178.555 176.600 0.003 0.000 0.974 381 E CA 0.947 57.335 56.400 -0.020 0.000 0.808 381 E CB -0.027 29.638 29.700 -0.058 0.000 0.768 381 E HN 0.553 nan 8.360 nan 0.000 0.453 382 K N 0.178 120.536 120.400 -0.070 0.000 2.160 382 K HA -0.156 4.162 4.320 -0.003 0.000 0.206 382 K C 2.023 178.645 176.600 0.037 0.000 1.047 382 K CA 1.122 57.351 56.287 -0.098 0.000 0.930 382 K CB -0.074 32.156 32.500 -0.450 0.000 0.720 382 K HN 0.005 nan 8.250 nan 0.000 0.450 383 V N 1.247 121.189 119.914 0.047 0.000 2.244 383 V HA -0.250 3.868 4.120 -0.003 0.000 0.244 383 V C 2.351 178.496 176.094 0.084 0.000 1.042 383 V CA 2.088 64.450 62.300 0.103 0.000 1.006 383 V CB -0.713 31.173 31.823 0.104 0.000 0.641 383 V HN 0.381 nan 8.190 nan 0.000 0.446 384 A N -0.852 122.011 122.820 0.072 0.000 1.940 384 A HA -0.268 4.050 4.320 -0.003 0.000 0.219 384 A C 2.136 179.775 177.584 0.091 0.000 1.176 384 A CA 2.209 54.280 52.037 0.057 0.000 0.631 384 A CB -0.768 18.264 19.000 0.052 0.000 0.814 384 A HN 0.561 nan 8.150 nan 0.000 0.446 385 F N 0.442 120.375 119.950 -0.028 0.000 2.014 385 F HA -0.190 4.335 4.527 -0.003 0.000 0.295 385 F C 2.018 177.808 175.800 -0.017 0.000 1.145 385 F CA 1.958 59.942 58.000 -0.026 0.000 1.178 385 F CB -0.227 38.754 39.000 -0.032 0.000 0.972 385 F HN 0.150 nan 8.300 nan 0.000 0.476 386 L N -0.448 120.755 121.223 -0.033 0.000 2.127 386 L HA -0.305 4.034 4.340 -0.003 0.000 0.211 386 L C 2.391 179.187 176.870 -0.124 0.000 1.089 386 L CA 0.921 55.690 54.840 -0.118 0.000 0.757 386 L CB -0.911 41.186 42.059 0.063 0.000 0.899 386 L HN 0.362 nan 8.230 nan 0.000 0.434 387 C N 0.057 119.312 119.300 -0.075 0.000 2.539 387 C HA 0.217 4.675 4.460 -0.003 0.000 0.268 387 C C 1.807 176.719 174.990 -0.131 0.000 1.395 387 C CA 0.448 59.408 59.018 -0.095 0.000 1.757 387 C CB -1.304 26.391 27.740 -0.076 0.000 1.851 387 C HN 0.827 nan 8.230 nan 0.000 0.545 388 G N 1.569 110.281 108.800 -0.147 0.000 2.198 388 G HA2 -0.241 3.717 3.960 -0.003 0.000 0.257 388 G HA3 -0.241 3.717 3.960 -0.003 0.000 0.257 388 G C -0.078 174.770 174.900 -0.087 0.000 1.042 388 G CA 0.748 45.765 45.100 -0.140 0.000 0.791 388 G HN 0.754 nan 8.290 nan 0.000 0.502 389 I N -4.139 116.396 120.570 -0.059 0.000 3.445 389 I HA 0.779 4.947 4.170 -0.003 0.000 0.303 389 I C -0.186 175.928 176.117 -0.005 0.000 1.129 389 I CA -1.839 59.436 61.300 -0.042 0.000 0.989 389 I CB 1.660 39.622 38.000 -0.064 0.000 1.314 389 I HN -0.046 nan 8.210 nan 0.000 0.488 390 N N 0.748 119.445 118.700 -0.004 0.000 2.434 390 N HA 0.512 5.251 4.740 -0.003 0.000 0.272 390 N C 0.605 176.124 175.510 0.014 0.000 1.040 390 N CA 0.205 53.262 53.050 0.010 0.000 0.956 390 N CB 1.896 40.386 38.487 0.005 0.000 1.108 390 N HN 0.755 nan 8.380 nan 0.000 0.481 391 A N 2.807 125.641 122.820 0.022 0.000 1.969 391 A HA -0.005 4.313 4.320 -0.003 0.000 0.218 391 A C 1.918 179.514 177.584 0.021 0.000 1.169 391 A CA 1.660 53.711 52.037 0.022 0.000 0.635 391 A CB -0.966 18.044 19.000 0.017 0.000 0.810 391 A HN 0.758 nan 8.150 nan 0.000 0.445 392 G N -0.109 108.700 108.800 0.015 0.000 2.414 392 G HA2 -0.223 3.735 3.960 -0.003 0.000 0.215 392 G HA3 -0.223 3.735 3.960 -0.003 0.000 0.215 392 G C 1.133 176.045 174.900 0.020 0.000 1.188 392 G CA 1.232 46.341 45.100 0.015 0.000 0.783 392 G HN 0.469 nan 8.290 nan 0.000 0.537 393 D N -0.052 120.357 120.400 0.014 0.000 2.103 393 D HA -0.150 4.489 4.640 -0.003 0.000 0.190 393 D C 2.334 178.645 176.300 0.018 0.000 0.997 393 D CA 1.126 55.132 54.000 0.011 0.000 0.833 393 D CB -0.317 40.484 40.800 0.002 0.000 0.961 393 D HN 0.191 nan 8.370 nan 0.000 0.447 394 L N 0.314 121.549 121.223 0.020 0.000 1.990 394 L HA -0.159 4.179 4.340 -0.003 0.000 0.213 394 L C 1.918 178.824 176.870 0.061 0.000 1.072 394 L CA 1.720 56.579 54.840 0.032 0.000 0.755 394 L CB -0.559 41.520 42.059 0.034 0.000 0.889 394 L HN 0.150 nan 8.230 nan 0.000 0.432 395 L N -0.843 120.423 121.223 0.071 0.000 2.376 395 L HA -0.143 4.195 4.340 -0.003 0.000 0.219 395 L C 2.527 179.451 176.870 0.089 0.000 1.133 395 L CA 0.942 55.848 54.840 0.110 0.000 0.816 395 L CB -0.389 41.730 42.059 0.100 0.000 0.933 395 L HN 0.399 nan 8.230 nan 0.000 0.449 396 K N 0.200 120.633 120.400 0.055 0.000 2.076 396 K HA -0.062 4.257 4.320 -0.003 0.000 0.204 396 K C 2.061 178.681 176.600 0.034 0.000 1.051 396 K CA 1.041 57.353 56.287 0.041 0.000 0.949 396 K CB 0.089 32.606 32.500 0.027 0.000 0.726 396 K HN 0.225 nan 8.250 nan 0.000 0.443 397 A N 0.709 123.547 122.820 0.030 0.000 1.975 397 A HA -0.022 4.297 4.320 -0.003 0.000 0.215 397 A C 1.890 179.487 177.584 0.021 0.000 1.170 397 A CA 0.573 52.623 52.037 0.022 0.000 0.656 397 A CB -0.278 18.733 19.000 0.017 0.000 0.821 397 A HN 0.317 nan 8.150 nan 0.000 0.449 398 L N -0.489 120.755 121.223 0.036 0.000 2.109 398 L HA 0.039 4.377 4.340 -0.003 0.000 0.207 398 L C 2.052 178.913 176.870 -0.015 0.000 1.086 398 L CA 1.190 56.044 54.840 0.023 0.000 0.760 398 L CB -0.230 41.876 42.059 0.078 0.000 0.910 398 L HN 0.386 nan 8.230 nan 0.000 0.437 399 L N -0.714 120.525 121.223 0.027 0.000 1.958 399 L HA -0.060 4.278 4.340 -0.003 0.000 0.211 399 L C 0.964 177.832 176.870 -0.003 0.000 1.139 399 L CA 0.668 55.516 54.840 0.014 0.000 0.815 399 L CB -0.299 41.803 42.059 0.071 0.000 0.910 399 L HN -0.022 nan 8.230 nan 0.000 0.456 400 K N 0.862 121.269 120.400 0.012 0.000 2.292 400 K HA 0.278 4.596 4.320 -0.003 0.000 0.270 400 K C -2.389 174.216 176.600 0.007 0.000 1.062 400 K CA -1.886 54.405 56.287 0.006 0.000 0.916 400 K CB 1.374 33.880 32.500 0.010 0.000 1.166 400 K HN -0.126 nan 8.250 nan 0.000 0.458 401 P HA 0.019 nan 4.420 nan 0.000 0.296 401 P C -1.465 175.839 177.300 0.007 0.000 1.295 401 P CA -0.283 62.820 63.100 0.006 0.000 0.754 401 P CB 0.397 32.099 31.700 0.004 0.000 1.311 402 K N -0.280 120.125 120.400 0.008 0.000 2.687 402 K HA 0.392 4.710 4.320 -0.003 0.000 0.249 402 K C -1.130 175.475 176.600 0.008 0.000 0.994 402 K CA -0.545 55.746 56.287 0.007 0.000 0.913 402 K CB 1.218 33.723 32.500 0.008 0.000 1.202 402 K HN 0.093 nan 8.250 nan 0.000 0.460 403 V N 3.033 122.950 119.914 0.006 0.000 3.653 403 V HA 0.330 4.449 4.120 -0.003 0.000 0.282 403 V C -0.157 175.940 176.094 0.006 0.000 0.993 403 V CA -0.168 62.135 62.300 0.006 0.000 0.986 403 V CB 1.333 33.157 31.823 0.003 0.000 1.249 403 V HN 0.817 nan 8.190 nan 0.000 0.423 404 K N 1.061 121.464 120.400 0.005 0.000 2.954 404 K HA 0.443 4.761 4.320 -0.003 0.000 0.171 404 K C -1.321 175.280 176.600 0.001 0.000 1.079 404 K CA -0.301 55.989 56.287 0.004 0.000 0.908 404 K CB 1.029 33.533 32.500 0.007 0.000 1.142 404 K HN 0.460 nan 8.250 nan 0.000 0.613 405 V N 1.407 121.320 119.914 -0.001 0.000 2.649 405 V HA 0.238 4.356 4.120 -0.003 0.000 0.292 405 V C 1.090 177.182 176.094 -0.004 0.000 1.055 405 V CA -0.629 61.669 62.300 -0.004 0.000 1.023 405 V CB 1.369 33.189 31.823 -0.005 0.000 0.992 405 V HN 0.721 nan 8.190 nan 0.000 0.480 406 G N 2.844 111.640 108.800 -0.006 0.000 2.109 406 G HA2 0.213 4.171 3.960 -0.003 0.000 0.249 406 G HA3 0.213 4.171 3.960 -0.003 0.000 0.249 406 G C 0.899 175.797 174.900 -0.003 0.000 1.126 406 G CA 0.820 45.917 45.100 -0.005 0.000 0.923 406 G HN 1.185 nan 8.290 nan 0.000 0.439 407 T N 1.117 115.670 114.554 -0.002 0.000 9.639 407 T HA -0.246 4.103 4.350 -0.003 0.000 0.362 407 T C 0.626 175.325 174.700 -0.001 0.000 1.812 407 T CA 2.042 64.142 62.100 -0.001 0.000 2.782 407 T CB -0.991 67.876 68.868 -0.002 0.000 2.606 407 T HN 0.804 nan 8.240 nan 0.000 1.105 408 E N 1.244 121.444 120.200 -0.001 0.000 3.011 408 E HA 0.259 4.607 4.350 -0.003 0.000 0.315 408 E C 0.252 176.852 176.600 -0.000 0.000 1.176 408 E CA -0.295 56.105 56.400 -0.000 0.000 0.819 408 E CB 0.618 30.318 29.700 -0.001 0.000 1.508 408 E HN 0.621 nan 8.360 nan 0.000 0.381 409 M N 0.278 119.878 119.600 0.001 0.000 2.260 409 M HA 0.210 4.689 4.480 -0.003 0.000 0.348 409 M C -0.063 176.238 176.300 0.002 0.000 1.342 409 M CA 0.205 55.506 55.300 0.001 0.000 1.040 409 M CB -0.007 32.594 32.600 0.003 0.000 1.810 409 M HN -0.069 nan 8.290 nan 0.000 0.453 410 V N 2.387 122.301 119.914 0.001 0.000 3.613 410 V HA 0.441 4.559 4.120 -0.003 0.000 0.283 410 V C 0.552 176.648 176.094 0.002 0.000 1.052 410 V CA -0.762 61.538 62.300 0.001 0.000 0.937 410 V CB 1.352 33.175 31.823 0.000 0.000 1.241 410 V HN 0.947 nan 8.190 nan 0.000 0.429 411 T N 1.194 115.749 114.554 0.002 0.000 2.786 411 T HA 0.393 4.742 4.350 -0.003 0.000 0.283 411 T C -0.445 174.256 174.700 0.002 0.000 0.992 411 T CA -0.406 61.696 62.100 0.003 0.000 0.954 411 T CB 0.696 69.566 68.868 0.004 0.000 0.934 411 T HN 0.521 nan 8.240 nan 0.000 0.440 412 K N 1.745 122.147 120.400 0.002 0.000 2.138 412 K HA 0.627 4.945 4.320 -0.003 0.000 0.263 412 K C 0.266 176.865 176.600 -0.001 0.000 0.965 412 K CA -0.649 55.637 56.287 -0.000 0.000 0.868 412 K CB 1.372 33.871 32.500 -0.001 0.000 1.083 412 K HN 0.691 nan 8.250 nan 0.000 0.443 413 G N 2.430 111.229 108.800 -0.002 0.000 2.332 413 G HA2 0.173 4.131 3.960 -0.003 0.000 0.310 413 G HA3 0.173 4.131 3.960 -0.003 0.000 0.310 413 G C -0.704 174.190 174.900 -0.010 0.000 1.123 413 G CA -0.394 44.704 45.100 -0.004 0.000 0.873 413 G HN 0.351 nan 8.290 nan 0.000 0.460 414 Q N 1.070 120.861 119.800 -0.016 0.000 2.230 414 Q HA 0.227 4.566 4.340 -0.003 0.000 0.253 414 Q C 0.425 176.408 176.000 -0.029 0.000 0.919 414 Q CA -0.580 55.204 55.803 -0.032 0.000 0.908 414 Q CB 1.965 30.669 28.738 -0.056 0.000 1.245 414 Q HN 0.709 nan 8.270 nan 0.000 0.437 415 N N 0.813 119.494 118.700 -0.033 0.000 2.607 415 N HA 0.122 4.860 4.740 -0.003 0.000 0.284 415 N C 0.658 176.144 175.510 -0.039 0.000 1.365 415 N CA -0.310 52.726 53.050 -0.023 0.000 0.862 415 N CB 0.376 38.854 38.487 -0.016 0.000 1.107 415 N HN 0.328 nan 8.380 nan 0.000 0.463 416 L N 1.564 122.768 121.223 -0.031 0.000 2.140 416 L HA 0.079 4.417 4.340 -0.003 0.000 0.201 416 L C 2.354 179.183 176.870 -0.069 0.000 1.191 416 L CA 1.191 56.013 54.840 -0.031 0.000 0.825 416 L CB -1.910 40.147 42.059 -0.002 0.000 0.970 416 L HN 0.448 nan 8.230 nan 0.000 0.477 417 Q N -0.053 119.727 119.800 -0.034 0.000 1.910 417 Q HA -0.395 3.943 4.340 -0.003 0.000 0.241 417 Q C 1.866 177.830 176.000 -0.059 0.000 1.057 417 Q CA 2.741 58.528 55.803 -0.027 0.000 0.898 417 Q CB -0.804 27.924 28.738 -0.016 0.000 1.016 417 Q HN 0.522 nan 8.270 nan 0.000 0.424 418 Q N -0.649 119.120 119.800 -0.052 0.000 2.321 418 Q HA -0.317 4.021 4.340 -0.003 0.000 0.226 418 Q C 2.099 178.038 176.000 -0.102 0.000 1.090 418 Q CA 3.258 59.024 55.803 -0.061 0.000 0.968 418 Q CB -0.799 27.903 28.738 -0.059 0.000 1.036 418 Q HN 0.352 nan 8.270 nan 0.000 0.505 419 V N 0.553 120.359 119.914 -0.179 0.000 2.236 419 V HA -0.376 3.742 4.120 -0.003 0.000 0.255 419 V C 2.143 178.072 176.094 -0.275 0.000 1.068 419 V CA 2.551 64.654 62.300 -0.329 0.000 1.044 419 V CB -0.800 30.631 31.823 -0.653 0.000 0.653 419 V HN 0.416 nan 8.190 nan 0.000 0.448 420 I N 0.257 120.699 120.570 -0.214 0.000 2.185 420 I HA -0.320 3.849 4.170 -0.003 0.000 0.246 420 I C 2.138 178.265 176.117 0.016 0.000 1.088 420 I CA 2.288 63.560 61.300 -0.048 0.000 1.347 420 I CB -0.660 37.350 38.000 0.017 0.000 1.041 420 I HN 0.404 nan 8.210 nan 0.000 0.415 421 N N -0.015 118.678 118.700 -0.011 0.000 2.459 421 N HA -0.089 4.650 4.740 -0.003 0.000 0.181 421 N C 1.692 177.210 175.510 0.013 0.000 1.046 421 N CA 0.863 53.918 53.050 0.007 0.000 0.904 421 N CB 0.023 38.505 38.487 -0.007 0.000 0.964 421 N HN 0.172 nan 8.380 nan 0.000 0.444 422 S N -0.990 114.708 115.700 -0.004 0.000 2.503 422 S HA 0.116 4.584 4.470 -0.003 0.000 0.217 422 S C 1.835 176.470 174.600 0.058 0.000 0.999 422 S CA -0.051 58.158 58.200 0.014 0.000 0.914 422 S CB 0.362 63.552 63.200 -0.016 0.000 0.782 422 S HN 0.064 nan 8.310 nan 0.000 0.520 423 V N 1.549 121.511 119.914 0.080 0.000 2.346 423 V HA -0.009 4.109 4.120 -0.003 0.000 0.244 423 V C 2.633 178.858 176.094 0.218 0.000 1.037 423 V CA 1.891 64.294 62.300 0.171 0.000 1.029 423 V CB -1.336 30.627 31.823 0.232 0.000 0.663 423 V HN 0.530 nan 8.190 nan 0.000 0.454 424 G N -0.125 108.791 108.800 0.194 0.000 2.418 424 G HA2 -0.196 3.763 3.960 -0.003 0.000 0.217 424 G HA3 -0.196 3.763 3.960 -0.003 0.000 0.217 424 G C 1.736 176.664 174.900 0.046 0.000 1.158 424 G CA 1.019 46.178 45.100 0.097 0.000 0.771 424 G HN 0.590 nan 8.290 nan 0.000 0.545 425 A N 0.103 122.959 122.820 0.060 0.000 2.019 425 A HA 0.104 4.423 4.320 -0.003 0.000 0.219 425 A C 2.306 179.942 177.584 0.088 0.000 1.164 425 A CA 1.559 53.628 52.037 0.054 0.000 0.644 425 A CB -0.294 18.732 19.000 0.043 0.000 0.805 425 A HN 0.401 nan 8.150 nan 0.000 0.449 426 L N -0.342 120.952 121.223 0.120 0.000 2.044 426 L HA 0.014 4.353 4.340 -0.003 0.000 0.205 426 L C 2.834 179.817 176.870 0.187 0.000 1.075 426 L CA 2.458 57.397 54.840 0.164 0.000 0.747 426 L CB -1.027 41.131 42.059 0.165 0.000 0.903 426 L HN 0.422 nan 8.230 nan 0.000 0.435 427 S N -0.150 115.657 115.700 0.179 0.000 2.363 427 S HA -0.301 4.168 4.470 -0.003 0.000 0.218 427 S C 1.981 176.680 174.600 0.165 0.000 1.035 427 S CA 2.158 60.471 58.200 0.188 0.000 1.043 427 S CB -0.652 62.623 63.200 0.124 0.000 0.986 427 S HN 0.443 nan 8.310 nan 0.000 0.423 428 K N 0.384 120.831 120.400 0.078 0.000 2.030 428 K HA -0.198 4.120 4.320 -0.003 0.000 0.222 428 K C 2.554 179.223 176.600 0.115 0.000 1.056 428 K CA 1.805 58.133 56.287 0.069 0.000 0.957 428 K CB -0.585 31.929 32.500 0.023 0.000 0.727 428 K HN 0.446 nan 8.250 nan 0.000 0.452 429 S N 0.655 116.412 115.700 0.096 0.000 2.400 429 S HA -0.143 4.326 4.470 -0.003 0.000 0.232 429 S C 1.843 176.485 174.600 0.070 0.000 1.025 429 S CA 1.129 59.370 58.200 0.069 0.000 0.993 429 S CB -0.157 63.080 63.200 0.061 0.000 0.808 429 S HN 0.282 nan 8.310 nan 0.000 0.478 430 L N 0.233 121.553 121.223 0.162 0.000 2.095 430 L HA 0.140 4.478 4.340 -0.003 0.000 0.204 430 L C 1.945 178.902 176.870 0.144 0.000 1.080 430 L CA 1.789 56.742 54.840 0.188 0.000 0.759 430 L CB -1.080 41.153 42.059 0.291 0.000 0.914 430 L HN 0.447 nan 8.230 nan 0.000 0.439 431 Y N 0.224 120.565 120.300 0.068 0.000 2.181 431 Y HA -0.252 4.296 4.550 -0.003 0.000 0.288 431 Y C 2.387 178.287 175.900 0.000 0.000 1.146 431 Y CA 2.053 60.174 58.100 0.035 0.000 1.164 431 Y CB -0.261 38.233 38.460 0.055 0.000 0.982 431 Y HN 0.420 nan 8.280 nan 0.000 0.515 432 D N -0.411 120.113 120.400 0.206 0.000 2.084 432 D HA -0.178 4.460 4.640 -0.003 0.000 0.194 432 D C 2.173 178.520 176.300 0.078 0.000 0.990 432 D CA 1.754 55.827 54.000 0.122 0.000 0.826 432 D CB -0.101 40.741 40.800 0.070 0.000 0.971 432 D HN 0.287 nan 8.370 nan 0.000 0.453 433 R N -0.321 120.183 120.500 0.007 0.000 2.096 433 R HA -0.144 4.194 4.340 -0.003 0.000 0.240 433 R C 2.530 178.837 176.300 0.012 0.000 1.139 433 R CA 1.527 57.603 56.100 -0.039 0.000 0.952 433 R CB -0.417 29.772 30.300 -0.185 0.000 0.854 433 R HN 0.320 nan 8.270 nan 0.000 0.436 434 M N -0.077 119.504 119.600 -0.032 0.000 2.065 434 M HA -0.212 4.266 4.480 -0.003 0.000 0.259 434 M C 2.042 178.316 176.300 -0.042 0.000 1.071 434 M CA 1.791 57.041 55.300 -0.082 0.000 1.109 434 M CB -0.213 32.234 32.600 -0.254 0.000 1.313 434 M HN 0.145 nan 8.290 nan 0.000 0.408 435 F N 1.510 121.285 119.950 -0.291 0.000 2.091 435 F HA -0.334 4.191 4.527 -0.003 0.000 0.299 435 F C 2.072 177.785 175.800 -0.145 0.000 1.103 435 F CA 2.064 59.891 58.000 -0.289 0.000 1.228 435 F CB -0.585 38.245 39.000 -0.283 0.000 0.984 435 F HN 0.298 nan 8.300 nan 0.000 0.477 436 N N -0.306 118.470 118.700 0.127 0.000 2.104 436 N HA -0.274 4.465 4.740 -0.003 0.000 0.190 436 N C 1.659 177.126 175.510 -0.071 0.000 1.024 436 N CA 1.700 54.769 53.050 0.031 0.000 0.853 436 N CB -1.138 37.388 38.487 0.064 0.000 1.008 436 N HN 0.604 nan 8.380 nan 0.000 0.424 437 W N 2.351 123.562 121.300 -0.148 0.000 2.335 437 W HA -0.089 4.569 4.660 -0.003 0.000 0.311 437 W C 2.219 178.641 176.519 -0.161 0.000 1.213 437 W CA 0.989 58.249 57.345 -0.142 0.000 1.274 437 W CB -0.654 28.727 29.460 -0.132 0.000 1.148 437 W HN 0.020 nan 8.180 nan 0.000 0.498 438 L N 0.081 121.228 121.223 -0.126 0.000 2.013 438 L HA -0.276 4.063 4.340 -0.003 0.000 0.212 438 L C 2.171 178.791 176.870 -0.418 0.000 1.073 438 L CA 2.121 56.807 54.840 -0.258 0.000 0.753 438 L CB -0.956 40.938 42.059 -0.275 0.000 0.890 438 L HN -0.042 nan 8.230 nan 0.000 0.432 439 V N 0.749 120.378 119.914 -0.475 0.000 2.261 439 V HA -0.327 3.791 4.120 -0.003 0.000 0.246 439 V C 2.590 178.487 176.094 -0.328 0.000 1.047 439 V CA 2.302 64.373 62.300 -0.382 0.000 1.015 439 V CB -0.799 30.820 31.823 -0.340 0.000 0.642 439 V HN 0.609 nan 8.190 nan 0.000 0.446 440 K N 0.745 120.926 120.400 -0.365 0.000 2.103 440 K HA -0.286 4.032 4.320 -0.003 0.000 0.207 440 K C 2.207 178.542 176.600 -0.442 0.000 1.048 440 K CA 2.077 58.153 56.287 -0.352 0.000 0.930 440 K CB -0.295 32.004 32.500 -0.335 0.000 0.716 440 K HN 0.268 nan 8.250 nan 0.000 0.444 441 R N 1.547 121.644 120.500 -0.673 0.000 2.062 441 R HA -0.055 4.283 4.340 -0.003 0.000 0.231 441 R C 2.131 178.216 176.300 -0.359 0.000 1.136 441 R CA 1.827 57.511 56.100 -0.695 0.000 0.948 441 R CB -0.929 28.694 30.300 -1.128 0.000 0.845 441 R HN 0.145 nan 8.270 nan 0.000 0.430 442 V N 1.951 121.727 119.914 -0.229 0.000 2.324 442 V HA -0.321 3.798 4.120 -0.003 0.000 0.250 442 V C 2.012 178.028 176.094 -0.131 0.000 1.060 442 V CA 2.251 64.486 62.300 -0.108 0.000 1.042 442 V CB -0.739 31.019 31.823 -0.109 0.000 0.650 442 V HN 0.414 nan 8.190 nan 0.000 0.450 443 N N 0.158 118.759 118.700 -0.165 0.000 2.149 443 N HA -0.175 4.563 4.740 -0.003 0.000 0.188 443 N C 1.990 177.419 175.510 -0.136 0.000 1.019 443 N CA 1.513 54.481 53.050 -0.137 0.000 0.857 443 N CB -0.312 38.088 38.487 -0.145 0.000 0.997 443 N HN 0.535 nan 8.380 nan 0.000 0.426 444 R N 0.206 120.601 120.500 -0.175 0.000 2.083 444 R HA -0.074 4.265 4.340 -0.003 0.000 0.237 444 R C 2.252 178.476 176.300 -0.128 0.000 1.137 444 R CA 1.712 57.714 56.100 -0.164 0.000 0.951 444 R CB -0.669 29.499 30.300 -0.219 0.000 0.851 444 R HN 0.203 nan 8.270 nan 0.000 0.434 445 T N 1.730 116.212 114.554 -0.120 0.000 2.595 445 T HA -0.113 4.236 4.350 -0.003 0.000 0.264 445 T C 1.818 176.479 174.700 -0.064 0.000 1.058 445 T CA 1.339 63.393 62.100 -0.077 0.000 1.166 445 T CB -0.278 68.568 68.868 -0.037 0.000 0.863 445 T HN 0.141 nan 8.240 nan 0.000 0.415 446 L N 0.874 122.060 121.223 -0.063 0.000 2.349 446 L HA -0.030 4.309 4.340 -0.003 0.000 0.220 446 L C 0.975 177.812 176.870 -0.055 0.000 1.130 446 L CA 0.541 55.349 54.840 -0.054 0.000 0.791 446 L CB -0.600 41.428 42.059 -0.052 0.000 0.918 446 L HN 0.230 nan 8.230 nan 0.000 0.444 447 D N 1.113 121.470 120.400 -0.071 0.000 2.470 447 D HA 0.030 4.669 4.640 -0.003 0.000 0.226 447 D C 0.281 176.535 176.300 -0.076 0.000 1.196 447 D CA -0.222 53.730 54.000 -0.080 0.000 0.979 447 D CB 0.399 41.141 40.800 -0.096 0.000 1.059 447 D HN 0.047 nan 8.370 nan 0.000 0.515 448 T N 1.496 116.010 114.554 -0.067 0.000 2.727 448 T HA 0.155 4.504 4.350 -0.003 0.000 0.295 448 T C 0.603 175.261 174.700 -0.070 0.000 0.915 448 T CA -1.042 61.022 62.100 -0.059 0.000 1.066 448 T CB 0.969 69.809 68.868 -0.048 0.000 0.891 448 T HN 0.072 nan 8.240 nan 0.000 0.516 449 K N 2.832 123.191 120.400 -0.068 0.000 2.024 449 K HA 0.294 4.613 4.320 -0.003 0.000 0.210 449 K C 0.156 176.717 176.600 -0.065 0.000 1.181 449 K CA 0.051 56.295 56.287 -0.073 0.000 1.234 449 K CB -1.116 31.347 32.500 -0.062 0.000 1.179 449 K HN 0.834 nan 8.250 nan 0.000 0.230 450 A N 2.001 124.777 122.820 -0.072 0.000 2.386 450 A HA 0.344 4.663 4.320 -0.003 0.000 0.311 450 A C -0.116 177.427 177.584 -0.069 0.000 1.068 450 A CA -0.848 51.154 52.037 -0.058 0.000 0.743 450 A CB 1.125 20.099 19.000 -0.043 0.000 1.258 450 A HN 0.293 nan 8.150 nan 0.000 0.429 451 K N 2.171 122.537 120.400 -0.055 0.000 2.466 451 K HA 0.011 4.330 4.320 -0.003 0.000 0.278 451 K C -0.274 176.292 176.600 -0.056 0.000 1.048 451 K CA 0.514 56.765 56.287 -0.060 0.000 1.088 451 K CB 0.158 32.630 32.500 -0.046 0.000 0.884 451 K HN 0.716 nan 8.250 nan 0.000 0.478 452 R N 2.957 123.410 120.500 -0.078 0.000 2.562 452 R HA 0.270 4.609 4.340 -0.003 0.000 0.298 452 R C 0.256 176.504 176.300 -0.085 0.000 0.961 452 R CA -0.698 55.381 56.100 -0.035 0.000 0.881 452 R CB 0.752 31.028 30.300 -0.040 0.000 1.159 452 R HN 0.562 nan 8.270 nan 0.000 0.450 453 N N 0.604 119.208 118.700 -0.161 0.000 2.428 453 N HA 0.063 4.802 4.740 -0.003 0.000 0.181 453 N C -0.417 174.633 175.510 -0.765 0.000 1.028 453 N CA 0.928 53.632 53.050 -0.575 0.000 0.877 453 N CB 0.322 38.309 38.487 -0.833 0.000 1.064 453 N HN 0.390 nan 8.380 nan 0.000 0.434 454 Y N -0.835 119.593 120.300 0.213 0.000 2.638 454 Y HA 0.396 4.944 4.550 -0.003 0.000 0.339 454 Y C -0.572 175.568 175.900 0.399 0.000 1.084 454 Y CA -1.364 56.865 58.100 0.215 0.000 1.068 454 Y CB 0.748 39.227 38.460 0.032 0.000 1.294 454 Y HN -0.007 nan 8.280 nan 0.000 0.480 455 Y N -1.342 119.170 120.300 0.354 0.000 2.705 455 Y HA 0.923 5.471 4.550 -0.004 0.000 0.332 455 Y C -1.823 174.226 175.900 0.248 0.000 1.157 455 Y CA -2.142 56.115 58.100 0.262 0.000 1.091 455 Y CB 1.653 40.105 38.460 -0.014 0.000 1.301 455 Y HN 0.440 nan 8.280 nan 0.000 0.488 456 I N 1.852 122.701 120.570 0.465 0.000 2.571 456 I HA 0.497 4.665 4.170 -0.003 0.000 0.286 456 I C -0.140 176.251 176.117 0.457 0.000 1.134 456 I CA -0.847 60.664 61.300 0.351 0.000 1.052 456 I CB 1.920 40.196 38.000 0.460 0.000 1.237 456 I HN 1.009 nan 8.210 nan 0.000 0.435 457 G N 4.645 113.745 108.800 0.500 0.000 2.502 457 G HA2 0.679 4.637 3.960 -0.003 0.000 0.305 457 G HA3 0.679 4.637 3.960 -0.003 0.000 0.305 457 G C -0.929 174.260 174.900 0.483 0.000 1.190 457 G CA -0.408 45.012 45.100 0.534 0.000 0.933 457 G HN 0.311 nan 8.290 nan 0.000 0.503 458 V N 1.271 121.471 119.914 0.478 0.000 2.532 458 V HA 0.267 4.386 4.120 -0.003 0.000 0.294 458 V C -0.616 175.725 176.094 0.412 0.000 1.036 458 V CA -0.599 61.898 62.300 0.328 0.000 0.876 458 V CB 1.189 33.121 31.823 0.181 0.000 1.012 458 V HN 0.685 nan 8.190 nan 0.000 0.432 459 L N 3.658 125.047 121.223 0.277 0.000 2.399 459 L HA 0.797 5.136 4.340 -0.003 0.000 0.265 459 L C -0.223 176.712 176.870 0.108 0.000 1.089 459 L CA 0.479 55.425 54.840 0.176 0.000 0.802 459 L CB 1.543 43.568 42.059 -0.055 0.000 1.180 459 L HN 0.839 nan 8.230 nan 0.000 0.454 460 D N 2.884 123.328 120.400 0.074 0.000 2.826 460 D HA 0.330 4.969 4.640 -0.003 0.000 0.239 460 D C -1.238 175.053 176.300 -0.014 0.000 1.329 460 D CA -0.173 53.844 54.000 0.028 0.000 0.854 460 D CB 0.007 40.822 40.800 0.025 0.000 1.494 460 D HN 0.396 nan 8.370 nan 0.000 0.540 461 I N 0.071 120.625 120.570 -0.025 0.000 3.133 461 I HA 0.827 4.995 4.170 -0.003 0.000 0.311 461 I C 0.907 177.007 176.117 -0.028 0.000 1.072 461 I CA -1.794 59.482 61.300 -0.039 0.000 1.015 461 I CB 1.449 39.410 38.000 -0.066 0.000 1.233 461 I HN 0.241 nan 8.210 nan 0.000 0.473 462 A N 1.044 123.849 122.820 -0.025 0.000 2.429 462 A HA 0.574 4.893 4.320 -0.003 0.000 0.242 462 A C 0.414 177.995 177.584 -0.005 0.000 1.088 462 A CA 0.404 52.434 52.037 -0.012 0.000 0.784 462 A CB -0.224 18.772 19.000 -0.006 0.000 1.038 462 A HN 0.958 nan 8.150 nan 0.000 0.501 463 G N -1.242 107.562 108.800 0.005 0.000 2.613 463 G HA2 0.488 4.446 3.960 -0.003 0.000 0.303 463 G HA3 0.488 4.446 3.960 -0.003 0.000 0.303 463 G C -0.478 174.452 174.900 0.050 0.000 1.312 463 G CA -0.790 44.331 45.100 0.034 0.000 1.036 463 G HN 0.724 nan 8.290 nan 0.000 0.513 464 F N 0.404 120.320 119.950 -0.057 0.000 2.541 464 F HA 0.383 4.908 4.527 -0.003 0.000 0.378 464 F C 0.468 176.162 175.800 -0.178 0.000 1.068 464 F CA 0.168 58.108 58.000 -0.100 0.000 1.199 464 F CB 0.483 39.425 39.000 -0.097 0.000 1.091 464 F HN 0.311 nan 8.300 nan 0.000 0.555 465 E N 6.597 126.600 120.200 -0.328 0.000 2.275 465 E HA 0.439 4.788 4.350 -0.003 0.000 0.270 465 E C -1.179 175.114 176.600 -0.512 0.000 0.882 465 E CA -0.800 55.400 56.400 -0.334 0.000 0.758 465 E CB 1.913 31.381 29.700 -0.386 0.000 1.195 465 E HN 0.573 nan 8.360 nan 0.000 0.419 466 I N 3.419 123.743 120.570 -0.410 0.000 2.460 466 I HA 0.478 4.646 4.170 -0.003 0.000 0.298 466 I C -0.648 175.161 176.117 -0.513 0.000 0.989 466 I CA -0.546 60.572 61.300 -0.302 0.000 1.173 466 I CB 0.826 38.813 38.000 -0.022 0.000 1.338 466 I HN 0.402 nan 8.210 nan 0.000 0.456 467 F N 1.485 121.425 119.950 -0.018 0.000 2.764 467 F HA 0.343 4.868 4.527 -0.003 0.000 0.347 467 F C 1.232 177.041 175.800 0.016 0.000 1.151 467 F CA -0.677 57.330 58.000 0.013 0.000 1.021 467 F CB 0.575 39.592 39.000 0.028 0.000 1.438 467 F HN 0.387 nan 8.300 nan 0.000 0.516 468 D N -0.133 120.453 120.400 0.311 0.000 2.103 468 D HA -0.098 4.541 4.640 -0.003 0.000 0.199 468 D C -0.167 176.286 176.300 0.256 0.000 0.978 468 D CA 1.794 55.915 54.000 0.203 0.000 0.829 468 D CB 0.123 41.028 40.800 0.175 0.000 0.981 468 D HN 0.104 nan 8.370 nan 0.000 0.464 469 F N 1.365 121.389 119.950 0.122 0.000 2.482 469 F HA 0.364 4.889 4.527 -0.003 0.000 0.331 469 F C -0.655 175.228 175.800 0.138 0.000 1.115 469 F CA -0.891 57.172 58.000 0.106 0.000 0.955 469 F CB 1.103 40.151 39.000 0.081 0.000 1.136 469 F HN -0.302 nan 8.300 nan 0.000 0.452 470 N N 3.963 122.389 118.700 -0.458 0.000 2.238 470 N HA 0.482 5.221 4.740 -0.003 0.000 0.302 470 N C -1.465 173.901 175.510 -0.240 0.000 1.072 470 N CA -0.638 52.267 53.050 -0.241 0.000 0.792 470 N CB 2.319 40.700 38.487 -0.177 0.000 1.425 470 N HN 0.571 nan 8.380 nan 0.000 0.478 471 S N 0.109 115.838 115.700 0.048 0.000 2.911 471 S HA 0.331 4.800 4.470 -0.003 0.000 0.319 471 S C 0.389 175.070 174.600 0.135 0.000 1.154 471 S CA -0.512 57.852 58.200 0.273 0.000 0.857 471 S CB 0.452 63.755 63.200 0.172 0.000 1.279 471 S HN 0.499 nan 8.310 nan 0.000 0.593 472 F N 2.108 121.699 119.950 -0.598 0.000 2.147 472 F HA -0.124 4.401 4.527 -0.002 0.000 0.301 472 F C 1.762 177.239 175.800 -0.538 0.000 1.084 472 F CA 2.692 59.921 58.000 -1.285 0.000 1.268 472 F CB -0.339 37.751 39.000 -1.517 0.000 1.009 472 F HN 0.695 nan 8.300 nan 0.000 0.486 473 E N -0.434 119.579 120.200 -0.312 0.000 2.152 473 E HA -0.197 4.151 4.350 -0.003 0.000 0.192 473 E C 2.071 178.551 176.600 -0.200 0.000 0.983 473 E CA 1.243 57.477 56.400 -0.275 0.000 0.818 473 E CB -0.207 29.435 29.700 -0.096 0.000 0.758 473 E HN 0.419 nan 8.360 nan 0.000 0.467 474 Q N 0.367 120.129 119.800 -0.063 0.000 2.049 474 Q HA 0.002 4.340 4.340 -0.003 0.000 0.198 474 Q C 2.119 178.149 176.000 0.050 0.000 0.971 474 Q CA 0.738 56.573 55.803 0.053 0.000 0.833 474 Q CB -0.310 28.546 28.738 0.197 0.000 0.896 474 Q HN 0.252 nan 8.270 nan 0.000 0.434 475 L N -0.226 121.025 121.223 0.046 0.000 1.990 475 L HA -0.328 4.011 4.340 -0.003 0.000 0.213 475 L C 1.969 178.792 176.870 -0.079 0.000 1.072 475 L CA 1.569 56.357 54.840 -0.087 0.000 0.755 475 L CB -0.393 41.450 42.059 -0.359 0.000 0.889 475 L HN 0.395 nan 8.230 nan 0.000 0.432 476 C N -0.092 119.045 119.300 -0.271 0.000 2.376 476 C HA -0.253 4.205 4.460 -0.003 0.000 0.275 476 C C 2.653 177.615 174.990 -0.047 0.000 1.200 476 C CA 0.760 59.663 59.018 -0.191 0.000 1.756 476 C CB -0.905 26.562 27.740 -0.456 0.000 2.050 476 C HN 0.520 nan 8.230 nan 0.000 0.460 477 I N 1.443 121.939 120.570 -0.123 0.000 2.099 477 I HA -0.220 3.948 4.170 -0.003 0.000 0.239 477 I C 2.124 178.187 176.117 -0.089 0.000 1.066 477 I CA 1.893 63.132 61.300 -0.101 0.000 1.324 477 I CB -1.882 36.051 38.000 -0.112 0.000 1.037 477 I HN 0.527 nan 8.210 nan 0.000 0.401 478 N N -0.211 118.380 118.700 -0.182 0.000 2.149 478 N HA -0.271 4.468 4.740 -0.003 0.000 0.188 478 N C 2.001 177.507 175.510 -0.007 0.000 1.019 478 N CA 1.119 53.972 53.050 -0.329 0.000 0.857 478 N CB -0.340 37.726 38.487 -0.702 0.000 0.997 478 N HN 0.353 nan 8.380 nan 0.000 0.426 479 Y N 1.874 122.190 120.300 0.027 0.000 2.421 479 Y HA -0.099 4.450 4.550 -0.002 0.000 0.292 479 Y C 2.056 178.032 175.900 0.127 0.000 1.136 479 Y CA 1.076 59.264 58.100 0.145 0.000 1.255 479 Y CB -0.405 38.128 38.460 0.122 0.000 0.991 479 Y HN -0.043 nan 8.280 nan 0.000 0.552 480 T N 0.284 114.743 114.554 -0.158 0.000 2.781 480 T HA -0.114 4.234 4.350 -0.003 0.000 0.252 480 T C 1.665 176.281 174.700 -0.140 0.000 1.039 480 T CA 1.181 63.154 62.100 -0.212 0.000 1.147 480 T CB -0.279 68.577 68.868 -0.020 0.000 0.865 480 T HN 0.365 nan 8.240 nan 0.000 0.423 481 N N 1.117 119.807 118.700 -0.018 0.000 2.205 481 N HA -0.133 4.605 4.740 -0.003 0.000 0.186 481 N C 1.923 177.471 175.510 0.063 0.000 1.015 481 N CA 1.069 54.157 53.050 0.064 0.000 0.862 481 N CB -0.231 38.376 38.487 0.201 0.000 0.986 481 N HN 0.415 nan 8.380 nan 0.000 0.429 482 E N 1.542 121.813 120.200 0.119 0.000 2.023 482 E HA -0.108 4.240 4.350 -0.003 0.000 0.196 482 E C 1.917 178.512 176.600 -0.007 0.000 1.003 482 E CA 1.226 57.710 56.400 0.140 0.000 0.809 482 E CB 0.033 29.919 29.700 0.311 0.000 0.755 482 E HN 0.116 nan 8.360 nan 0.000 0.449 483 R N -0.042 120.403 120.500 -0.091 0.000 2.105 483 R HA -0.119 4.219 4.340 -0.003 0.000 0.239 483 R C 2.540 178.825 176.300 -0.025 0.000 1.135 483 R CA 1.155 57.196 56.100 -0.098 0.000 0.967 483 R CB -0.795 29.360 30.300 -0.241 0.000 0.861 483 R HN 0.343 nan 8.270 nan 0.000 0.442 484 L N 0.451 121.653 121.223 -0.035 0.000 2.217 484 L HA -0.153 4.186 4.340 -0.003 0.000 0.211 484 L C 2.534 179.499 176.870 0.157 0.000 1.107 484 L CA 0.894 55.768 54.840 0.057 0.000 0.783 484 L CB -0.212 41.854 42.059 0.012 0.000 0.919 484 L HN 0.128 nan 8.230 nan 0.000 0.442 485 Q N 0.180 119.978 119.800 -0.003 0.000 2.096 485 Q HA -0.212 4.126 4.340 -0.003 0.000 0.197 485 Q C 2.118 178.154 176.000 0.060 0.000 0.964 485 Q CA 1.405 57.155 55.803 -0.089 0.000 0.838 485 Q CB -0.118 28.237 28.738 -0.639 0.000 0.906 485 Q HN 0.366 nan 8.270 nan 0.000 0.444 486 Q N -0.984 118.843 119.800 0.044 0.000 2.181 486 Q HA -0.201 4.137 4.340 -0.003 0.000 0.205 486 Q C 1.681 177.805 176.000 0.206 0.000 0.980 486 Q CA 1.504 57.371 55.803 0.106 0.000 0.862 486 Q CB -0.257 28.529 28.738 0.080 0.000 0.905 486 Q HN 0.496 nan 8.270 nan 0.000 0.429 487 F N 0.205 120.217 119.950 0.103 0.000 2.186 487 F HA -0.166 4.360 4.527 -0.003 0.000 0.299 487 F C 1.687 177.650 175.800 0.271 0.000 1.090 487 F CA 1.317 59.411 58.000 0.157 0.000 1.307 487 F CB -0.524 38.552 39.000 0.126 0.000 1.019 487 F HN 0.192 nan 8.300 nan 0.000 0.489 488 F N 1.269 121.233 119.950 0.023 0.000 2.113 488 F HA -0.143 4.382 4.527 -0.003 0.000 0.297 488 F C 2.169 177.909 175.800 -0.100 0.000 1.103 488 F CA 2.223 60.137 58.000 -0.143 0.000 1.248 488 F CB -0.915 37.966 39.000 -0.200 0.000 0.999 488 F HN -0.028 nan 8.300 nan 0.000 0.475 489 N N -1.141 117.615 118.700 0.094 0.000 2.149 489 N HA -0.300 4.438 4.740 -0.003 0.000 0.188 489 N C 1.638 177.228 175.510 0.134 0.000 1.019 489 N CA 1.274 54.384 53.050 0.099 0.000 0.857 489 N CB -0.405 38.224 38.487 0.236 0.000 0.997 489 N HN 0.395 nan 8.380 nan 0.000 0.426 490 H N -0.277 118.778 119.070 -0.025 0.000 2.462 490 H HA -0.073 4.482 4.556 -0.003 0.000 0.292 490 H C 2.034 177.315 175.328 -0.078 0.000 1.049 490 H CA 1.426 57.449 56.048 -0.041 0.000 1.334 490 H CB 0.054 29.782 29.762 -0.055 0.000 1.404 490 H HN 0.274 nan 8.280 nan 0.000 0.544 491 H N -0.813 118.031 119.070 -0.377 0.000 2.372 491 H HA -0.034 4.521 4.556 -0.002 0.000 0.301 491 H C 2.136 177.200 175.328 -0.441 0.000 1.065 491 H CA 1.609 57.386 56.048 -0.452 0.000 1.364 491 H CB -0.122 29.342 29.762 -0.497 0.000 1.406 491 H HN 0.208 nan 8.280 nan 0.000 0.521 492 M N -0.268 118.973 119.600 -0.597 0.000 2.082 492 M HA -0.170 4.309 4.480 -0.003 0.000 0.258 492 M C 2.169 178.358 176.300 -0.186 0.000 1.069 492 M CA 1.472 56.455 55.300 -0.527 0.000 1.102 492 M CB -1.151 31.114 32.600 -0.558 0.000 1.336 492 M HN 0.429 nan 8.290 nan 0.000 0.404 493 F N 0.380 120.264 119.950 -0.110 0.000 2.126 493 F HA -0.213 4.312 4.527 -0.003 0.000 0.299 493 F C 2.025 177.482 175.800 -0.572 0.000 1.096 493 F CA 1.508 59.287 58.000 -0.370 0.000 1.255 493 F CB -0.356 38.246 39.000 -0.663 0.000 0.997 493 F HN -0.099 nan 8.300 nan 0.000 0.479 494 V N 0.848 120.417 119.914 -0.574 0.000 2.270 494 V HA -0.298 3.820 4.120 -0.003 0.000 0.245 494 V C 2.512 178.247 176.094 -0.599 0.000 1.043 494 V CA 1.983 63.901 62.300 -0.638 0.000 1.014 494 V CB -0.784 30.784 31.823 -0.425 0.000 0.645 494 V HN 0.399 nan 8.190 nan 0.000 0.447 495 L N -0.247 120.640 121.223 -0.559 0.000 2.021 495 L HA -0.287 4.052 4.340 -0.003 0.000 0.215 495 L C 2.671 179.267 176.870 -0.455 0.000 1.074 495 L CA 2.076 56.622 54.840 -0.491 0.000 0.760 495 L CB -0.521 41.200 42.059 -0.562 0.000 0.889 495 L HN 0.378 nan 8.230 nan 0.000 0.433 496 E N -0.265 119.643 120.200 -0.485 0.000 2.051 496 E HA -0.224 4.125 4.350 -0.003 0.000 0.192 496 E C 2.209 178.451 176.600 -0.596 0.000 0.991 496 E CA 1.300 57.390 56.400 -0.517 0.000 0.799 496 E CB -0.041 29.501 29.700 -0.264 0.000 0.748 496 E HN 0.359 nan 8.360 nan 0.000 0.449 497 Q N -0.036 119.315 119.800 -0.748 0.000 2.014 497 Q HA -0.200 4.138 4.340 -0.003 0.000 0.207 497 Q C 1.954 177.734 176.000 -0.367 0.000 0.993 497 Q CA 1.616 56.999 55.803 -0.699 0.000 0.850 497 Q CB -0.203 27.892 28.738 -1.072 0.000 0.916 497 Q HN 0.297 nan 8.270 nan 0.000 0.417 498 E N 0.398 120.371 120.200 -0.378 0.000 2.333 498 E HA -0.193 4.155 4.350 -0.003 0.000 0.198 498 E C 1.641 178.128 176.600 -0.189 0.000 1.007 498 E CA 0.930 57.183 56.400 -0.245 0.000 0.845 498 E CB 0.006 29.564 29.700 -0.237 0.000 0.766 498 E HN 0.352 nan 8.360 nan 0.000 0.507 499 E N 0.042 120.096 120.200 -0.244 0.000 2.042 499 E HA -0.116 4.233 4.350 -0.003 0.000 0.189 499 E C 1.669 178.213 176.600 -0.093 0.000 0.974 499 E CA 0.771 57.060 56.400 -0.185 0.000 0.806 499 E CB -0.307 29.225 29.700 -0.280 0.000 0.769 499 E HN 0.146 nan 8.360 nan 0.000 0.451 500 Y N 1.451 121.718 120.300 -0.055 0.000 2.145 500 Y HA -0.102 4.447 4.550 -0.002 0.000 0.286 500 Y C 2.319 178.140 175.900 -0.131 0.000 1.145 500 Y CA 1.567 59.591 58.100 -0.127 0.000 1.148 500 Y CB -0.698 37.777 38.460 0.025 0.000 0.981 500 Y HN 0.102 nan 8.280 nan 0.000 0.507 501 K N 1.089 121.527 120.400 0.063 0.000 2.097 501 K HA -0.243 4.075 4.320 -0.003 0.000 0.206 501 K C 2.185 178.769 176.600 -0.026 0.000 1.049 501 K CA 1.686 57.974 56.287 0.002 0.000 0.933 501 K CB -0.223 32.257 32.500 -0.032 0.000 0.717 501 K HN 0.263 nan 8.250 nan 0.000 0.442 502 K N 0.525 120.904 120.400 -0.036 0.000 2.280 502 K HA -0.110 4.208 4.320 -0.003 0.000 0.202 502 K C 0.584 177.175 176.600 -0.016 0.000 1.047 502 K CA 1.220 57.489 56.287 -0.031 0.000 0.942 502 K CB 0.221 32.699 32.500 -0.037 0.000 0.739 502 K HN 0.140 nan 8.250 nan 0.000 0.457 503 E N -0.588 119.597 120.200 -0.025 0.000 2.496 503 E HA 0.076 4.424 4.350 -0.003 0.000 0.200 503 E C 0.771 177.334 176.600 -0.062 0.000 1.016 503 E CA 0.430 56.815 56.400 -0.026 0.000 0.962 503 E CB 0.972 30.664 29.700 -0.014 0.000 1.071 503 E HN 0.566 nan 8.360 nan 0.000 0.457 504 G N 1.884 110.651 108.800 -0.056 0.000 2.377 504 G HA2 -0.376 3.582 3.960 -0.003 0.000 0.250 504 G HA3 -0.376 3.582 3.960 -0.003 0.000 0.250 504 G C 0.737 175.579 174.900 -0.096 0.000 1.039 504 G CA 0.689 45.753 45.100 -0.059 0.000 0.625 504 G HN 0.442 nan 8.290 nan 0.000 0.526 505 I N 0.822 121.293 120.570 -0.165 0.000 2.425 505 I HA 0.401 4.569 4.170 -0.003 0.000 0.171 505 I C 1.231 177.269 176.117 -0.131 0.000 1.405 505 I CA 1.364 62.529 61.300 -0.226 0.000 0.589 505 I CB 0.325 38.064 38.000 -0.434 0.000 1.869 505 I HN 0.720 nan 8.210 nan 0.000 1.105 506 Q N -0.443 119.288 119.800 -0.115 0.000 2.328 506 Q HA 0.224 4.563 4.340 -0.003 0.000 0.429 506 Q C -1.441 174.638 176.000 0.131 0.000 0.492 506 Q CA -0.813 54.998 55.803 0.015 0.000 1.012 506 Q CB 0.976 29.716 28.738 0.003 0.000 0.861 506 Q HN 0.731 nan 8.270 nan 0.000 0.364 507 W N 0.534 121.792 121.300 -0.070 0.000 3.479 507 W HA 0.362 5.021 4.660 -0.002 0.000 0.304 507 W C -1.278 175.236 176.519 -0.008 0.000 1.243 507 W CA -0.225 57.093 57.345 -0.044 0.000 1.202 507 W CB 2.317 31.777 29.460 0.000 0.000 1.346 507 W HN 0.981 nan 8.180 nan 0.000 0.539 508 E N 3.157 122.953 120.200 -0.673 0.000 2.526 508 E HA 0.081 4.430 4.350 -0.003 0.000 0.208 508 E C -0.382 176.124 176.600 -0.156 0.000 0.997 508 E CA 0.045 56.254 56.400 -0.318 0.000 0.961 508 E CB 0.515 30.063 29.700 -0.254 0.000 1.030 508 E HN 0.355 nan 8.360 nan 0.000 0.483 509 F N -1.004 118.499 119.950 -0.745 0.000 1.837 509 F HA 0.323 4.848 4.527 -0.003 0.000 0.229 509 F C 0.667 176.695 175.800 0.381 0.000 1.246 509 F CA -0.091 57.894 58.000 -0.024 0.000 1.302 509 F CB 0.611 39.408 39.000 -0.339 0.000 1.918 509 F HN -0.123 nan 8.300 nan 0.000 0.224 510 I N -1.162 119.740 120.570 0.553 0.000 3.415 510 I HA 0.265 4.434 4.170 -0.003 0.000 0.269 510 I C -1.435 174.678 176.117 -0.006 0.000 0.564 510 I CA -0.405 60.941 61.300 0.076 0.000 3.056 510 I CB 1.074 39.006 38.000 -0.114 0.000 1.513 510 I HN 0.031 nan 8.210 nan 0.000 0.535 511 D N -0.665 119.557 120.400 -0.297 0.000 2.734 511 D HA 0.157 4.796 4.640 -0.003 0.000 0.224 511 D C -0.762 175.278 176.300 -0.433 0.000 1.222 511 D CA -0.375 53.002 54.000 -1.038 0.000 0.761 511 D CB 1.436 41.613 40.800 -1.037 0.000 1.569 511 D HN 0.089 nan 8.370 nan 0.000 0.477 512 F N 1.062 120.934 119.950 -0.130 0.000 2.661 512 F HA 0.211 4.737 4.527 -0.003 0.000 0.298 512 F C 2.101 177.901 175.800 0.000 0.000 1.137 512 F CA 0.343 58.357 58.000 0.024 0.000 1.454 512 F CB -0.014 39.029 39.000 0.072 0.000 1.103 512 F HN 0.361 nan 8.300 nan 0.000 0.577 513 G N 1.863 110.701 108.800 0.064 0.000 3.064 513 G HA2 0.350 4.309 3.960 -0.003 0.000 0.286 513 G HA3 0.350 4.309 3.960 -0.003 0.000 0.286 513 G C 0.833 175.753 174.900 0.033 0.000 0.834 513 G CA -0.291 44.844 45.100 0.058 0.000 1.856 513 G HN 0.100 nan 8.290 nan 0.000 0.559 514 M N -0.257 119.395 119.600 0.087 0.000 3.033 514 M HA 0.353 4.832 4.480 -0.003 0.000 0.178 514 M C 0.859 177.209 176.300 0.084 0.000 1.565 514 M CA 0.436 55.782 55.300 0.076 0.000 1.488 514 M CB -0.471 32.197 32.600 0.114 0.000 0.877 514 M HN 0.028 nan 8.290 nan 0.000 0.542 515 D N 1.391 121.856 120.400 0.109 0.000 2.378 515 D HA 0.103 4.741 4.640 -0.003 0.000 0.227 515 D C 2.104 178.483 176.300 0.130 0.000 1.012 515 D CA 0.377 54.443 54.000 0.109 0.000 0.905 515 D CB 0.114 40.983 40.800 0.115 0.000 0.895 515 D HN 0.184 nan 8.370 nan 0.000 0.532 516 L N 0.278 121.579 121.223 0.130 0.000 2.072 516 L HA -0.101 4.237 4.340 -0.003 0.000 0.205 516 L C 2.248 179.196 176.870 0.129 0.000 1.079 516 L CA 1.245 56.169 54.840 0.142 0.000 0.752 516 L CB -0.898 41.224 42.059 0.106 0.000 0.906 516 L HN 0.133 nan 8.230 nan 0.000 0.436 517 Q N -0.796 119.060 119.800 0.093 0.000 2.061 517 Q HA -0.230 4.109 4.340 -0.003 0.000 0.204 517 Q C 2.235 178.286 176.000 0.084 0.000 0.984 517 Q CA 1.462 57.312 55.803 0.078 0.000 0.846 517 Q CB -0.234 28.532 28.738 0.046 0.000 0.902 517 Q HN 0.428 nan 8.270 nan 0.000 0.421 518 M N -0.632 119.016 119.600 0.079 0.000 2.080 518 M HA -0.228 4.251 4.480 -0.003 0.000 0.260 518 M C 2.544 178.897 176.300 0.087 0.000 1.068 518 M CA 1.320 56.663 55.300 0.070 0.000 1.109 518 M CB -0.711 31.929 32.600 0.067 0.000 1.342 518 M HN 0.397 nan 8.290 nan 0.000 0.405 519 C N 0.760 120.136 119.300 0.126 0.000 2.413 519 C HA -0.171 4.287 4.460 -0.003 0.000 0.276 519 C C 2.638 177.732 174.990 0.174 0.000 1.236 519 C CA 0.797 59.907 59.018 0.152 0.000 1.735 519 C CB -1.058 26.807 27.740 0.208 0.000 2.031 519 C HN 0.525 nan 8.230 nan 0.000 0.474 520 I N 0.800 121.492 120.570 0.202 0.000 2.226 520 I HA -0.163 4.005 4.170 -0.003 0.000 0.245 520 I C 2.179 178.401 176.117 0.174 0.000 1.100 520 I CA 1.941 63.392 61.300 0.251 0.000 1.374 520 I CB -0.699 37.427 38.000 0.211 0.000 1.057 520 I HN 0.336 nan 8.210 nan 0.000 0.413 521 D N 0.932 121.393 120.400 0.102 0.000 2.117 521 D HA -0.168 4.470 4.640 -0.003 0.000 0.197 521 D C 2.252 178.547 176.300 -0.008 0.000 0.987 521 D CA 0.938 54.966 54.000 0.048 0.000 0.829 521 D CB -0.332 40.487 40.800 0.031 0.000 0.961 521 D HN 0.225 nan 8.370 nan 0.000 0.460 522 L N 0.438 121.642 121.223 -0.032 0.000 2.089 522 L HA -0.219 4.119 4.340 -0.003 0.000 0.213 522 L C 2.088 178.859 176.870 -0.164 0.000 1.079 522 L CA 1.234 55.981 54.840 -0.155 0.000 0.758 522 L CB -0.137 41.852 42.059 -0.116 0.000 0.891 522 L HN 0.091 nan 8.230 nan 0.000 0.433 523 I N -0.366 120.165 120.570 -0.064 0.000 2.206 523 I HA -0.254 3.915 4.170 -0.003 0.000 0.239 523 I C 2.380 178.404 176.117 -0.155 0.000 1.078 523 I CA 1.479 62.711 61.300 -0.114 0.000 1.367 523 I CB -0.282 37.642 38.000 -0.127 0.000 1.078 523 I HN 0.316 nan 8.210 nan 0.000 0.413 524 E N 0.712 120.857 120.200 -0.092 0.000 2.447 524 E HA 0.051 4.400 4.350 -0.003 0.000 0.195 524 E C 0.583 177.182 176.600 -0.002 0.000 1.028 524 E CA -0.030 56.339 56.400 -0.052 0.000 0.876 524 E CB 0.207 29.955 29.700 0.081 0.000 0.885 524 E HN 0.174 nan 8.360 nan 0.000 0.500 525 K N 1.385 121.784 120.400 -0.002 0.000 2.120 525 K HA 0.161 4.480 4.320 -0.003 0.000 0.245 525 K C -1.671 174.933 176.600 0.006 0.000 1.024 525 K CA -2.134 54.158 56.287 0.008 0.000 0.906 525 K CB 0.188 32.692 32.500 0.007 0.000 1.051 525 K HN -0.201 nan 8.250 nan 0.000 0.491 526 P HA -0.200 nan 4.420 nan 0.000 0.219 526 P C 0.816 178.132 177.300 0.027 0.000 1.159 526 P CA 1.750 64.862 63.100 0.021 0.000 0.944 526 P CB 0.166 31.879 31.700 0.022 0.000 0.792 527 M N -1.361 118.263 119.600 0.040 0.000 2.549 527 M HA 0.264 4.742 4.480 -0.003 0.000 0.273 527 M C 0.886 177.273 176.300 0.145 0.000 1.213 527 M CA -0.213 55.125 55.300 0.065 0.000 0.976 527 M CB -0.859 31.773 32.600 0.054 0.000 1.457 527 M HN -0.162 nan 8.290 nan 0.000 0.485 528 G N -0.078 108.756 108.800 0.055 0.000 2.557 528 G HA2 0.477 4.436 3.960 -0.003 0.000 0.292 528 G HA3 0.477 4.436 3.960 -0.003 0.000 0.292 528 G C 1.241 176.138 174.900 -0.005 0.000 1.237 528 G CA -0.694 44.373 45.100 -0.055 0.000 0.978 528 G HN 0.260 nan 8.290 nan 0.000 0.498 529 I N -0.384 120.114 120.570 -0.121 0.000 2.280 529 I HA -0.336 3.832 4.170 -0.003 0.000 0.226 529 I C 2.837 179.024 176.117 0.117 0.000 0.970 529 I CA 1.526 62.809 61.300 -0.029 0.000 1.279 529 I CB -0.590 37.390 38.000 -0.033 0.000 0.984 529 I HN 0.373 nan 8.210 nan 0.000 0.382 530 L N 0.238 121.513 121.223 0.086 0.000 2.021 530 L HA -0.312 4.027 4.340 -0.003 0.000 0.215 530 L C 2.835 179.759 176.870 0.090 0.000 1.074 530 L CA 1.946 56.850 54.840 0.107 0.000 0.760 530 L CB -0.691 41.357 42.059 -0.018 0.000 0.889 530 L HN 0.422 nan 8.230 nan 0.000 0.433 531 S N 0.144 115.870 115.700 0.043 0.000 2.374 531 S HA -0.203 4.266 4.470 -0.003 0.000 0.227 531 S C 1.903 176.522 174.600 0.031 0.000 1.037 531 S CA 1.498 59.718 58.200 0.033 0.000 1.024 531 S CB -0.266 62.947 63.200 0.021 0.000 0.861 531 S HN 0.339 nan 8.310 nan 0.000 0.456 532 I N 0.870 121.469 120.570 0.048 0.000 2.353 532 I HA -0.093 4.075 4.170 -0.003 0.000 0.248 532 I C 2.403 178.574 176.117 0.090 0.000 1.119 532 I CA 0.739 62.038 61.300 -0.003 0.000 1.417 532 I CB -0.281 37.692 38.000 -0.045 0.000 1.078 532 I HN 0.332 nan 8.210 nan 0.000 0.421 533 L N 0.713 122.097 121.223 0.269 0.000 1.989 533 L HA -0.270 4.068 4.340 -0.003 0.000 0.211 533 L C 2.566 179.398 176.870 -0.064 0.000 1.071 533 L CA 1.810 56.675 54.840 0.042 0.000 0.749 533 L CB -0.292 41.807 42.059 0.066 0.000 0.890 533 L HN 0.282 nan 8.230 nan 0.000 0.431 534 E N -0.547 119.654 120.200 0.001 0.000 2.070 534 E HA -0.327 4.022 4.350 -0.003 0.000 0.197 534 E C 2.019 178.615 176.600 -0.008 0.000 1.004 534 E CA 1.772 58.170 56.400 -0.002 0.000 0.805 534 E CB -0.094 29.621 29.700 0.025 0.000 0.744 534 E HN 0.491 nan 8.360 nan 0.000 0.451 535 E N 0.701 120.882 120.200 -0.032 0.000 2.152 535 E HA -0.209 4.139 4.350 -0.003 0.000 0.192 535 E C 1.593 178.111 176.600 -0.136 0.000 0.983 535 E CA 0.832 57.209 56.400 -0.039 0.000 0.818 535 E CB 0.146 29.789 29.700 -0.095 0.000 0.758 535 E HN 0.029 nan 8.360 nan 0.000 0.467 536 E N -0.685 119.365 120.200 -0.250 0.000 2.502 536 E HA -0.011 4.337 4.350 -0.003 0.000 0.194 536 E C 1.087 177.613 176.600 -0.124 0.000 1.062 536 E CA 0.228 56.417 56.400 -0.351 0.000 0.867 536 E CB -0.117 29.397 29.700 -0.311 0.000 0.888 536 E HN 0.254 nan 8.360 nan 0.000 0.510 537 C N 0.041 119.326 119.300 -0.026 0.000 2.527 537 C HA 0.097 4.555 4.460 -0.003 0.000 0.280 537 C C 1.954 177.016 174.990 0.120 0.000 1.353 537 C CA 0.031 59.053 59.018 0.007 0.000 1.749 537 C CB -0.588 27.125 27.740 -0.046 0.000 2.088 537 C HN 0.559 nan 8.230 nan 0.000 0.508 538 M N -0.920 118.815 119.600 0.224 0.000 2.740 538 M HA 0.200 4.678 4.480 -0.003 0.000 0.230 538 M C -0.825 175.584 176.300 0.182 0.000 1.100 538 M CA 1.078 56.487 55.300 0.182 0.000 1.047 538 M CB -0.713 31.966 32.600 0.132 0.000 1.652 538 M HN 0.076 nan 8.290 nan 0.000 0.528 539 F N 1.078 121.022 119.950 -0.010 0.000 2.426 539 F HA 0.436 4.962 4.527 -0.003 0.000 0.348 539 F C -1.759 174.044 175.800 0.004 0.000 1.124 539 F CA -2.675 55.330 58.000 0.008 0.000 1.008 539 F CB 0.942 39.959 39.000 0.028 0.000 1.139 539 F HN -0.144 nan 8.300 nan 0.000 0.452 540 P HA -0.173 nan 4.420 nan 0.000 0.214 540 P C 0.674 178.027 177.300 0.088 0.000 1.163 540 P CA 1.237 64.381 63.100 0.074 0.000 0.883 540 P CB 0.251 31.971 31.700 0.033 0.000 0.788 541 K N 0.027 120.495 120.400 0.113 0.000 3.226 541 K HA 0.348 4.666 4.320 -0.003 0.000 0.268 541 K C -0.579 176.095 176.600 0.124 0.000 1.217 541 K CA -0.402 55.946 56.287 0.102 0.000 1.242 541 K CB -0.615 31.942 32.500 0.095 0.000 1.389 541 K HN -0.018 nan 8.250 nan 0.000 0.406 542 A N 1.324 124.215 122.820 0.117 0.000 2.289 542 A HA 0.219 4.537 4.320 -0.003 0.000 0.298 542 A C -0.616 177.013 177.584 0.075 0.000 1.208 542 A CA -0.670 51.428 52.037 0.102 0.000 0.845 542 A CB 0.654 19.697 19.000 0.072 0.000 1.125 542 A HN 0.475 nan 8.150 nan 0.000 0.517 543 D N 0.847 121.303 120.400 0.094 0.000 2.268 543 D HA 0.152 4.790 4.640 -0.003 0.000 0.249 543 D C 0.157 176.522 176.300 0.109 0.000 1.008 543 D CA -0.423 53.630 54.000 0.088 0.000 0.939 543 D CB 1.450 42.305 40.800 0.092 0.000 1.170 543 D HN 0.532 nan 8.370 nan 0.000 0.468 544 D N 0.972 121.429 120.400 0.096 0.000 2.265 544 D HA -0.138 4.500 4.640 -0.003 0.000 0.208 544 D C 1.184 177.586 176.300 0.169 0.000 0.977 544 D CA 1.141 55.209 54.000 0.112 0.000 0.871 544 D CB 0.473 41.325 40.800 0.085 0.000 0.925 544 D HN 0.212 nan 8.370 nan 0.000 0.485 545 K N -0.124 120.370 120.400 0.156 0.000 2.262 545 K HA 0.044 4.363 4.320 -0.003 0.000 0.200 545 K C 1.983 178.690 176.600 0.179 0.000 1.049 545 K CA 0.066 56.454 56.287 0.169 0.000 0.979 545 K CB 0.012 32.590 32.500 0.130 0.000 0.773 545 K HN -0.159 nan 8.250 nan 0.000 0.474 546 S N 0.069 115.878 115.700 0.182 0.000 2.353 546 S HA -0.185 4.283 4.470 -0.003 0.000 0.222 546 S C 1.774 176.569 174.600 0.325 0.000 1.035 546 S CA 1.259 59.592 58.200 0.222 0.000 1.025 546 S CB -0.405 62.914 63.200 0.200 0.000 0.902 546 S HN 0.347 nan 8.310 nan 0.000 0.440 547 F N 2.233 122.232 119.950 0.081 0.000 2.095 547 F HA -0.084 4.441 4.527 -0.003 0.000 0.298 547 F C 2.570 178.402 175.800 0.054 0.000 1.104 547 F CA 2.282 60.288 58.000 0.009 0.000 1.232 547 F CB -0.971 37.995 39.000 -0.056 0.000 0.987 547 F HN 0.352 nan 8.300 nan 0.000 0.475 548 Q N -0.146 119.712 119.800 0.097 0.000 2.124 548 Q HA -0.205 4.133 4.340 -0.003 0.000 0.202 548 Q C 1.721 177.857 176.000 0.226 0.000 0.977 548 Q CA 1.892 57.743 55.803 0.080 0.000 0.850 548 Q CB -0.173 28.745 28.738 0.300 0.000 0.901 548 Q HN 0.377 nan 8.270 nan 0.000 0.429 549 D N -0.506 120.018 120.400 0.206 0.000 2.078 549 D HA -0.177 4.462 4.640 -0.003 0.000 0.193 549 D C 1.638 178.011 176.300 0.121 0.000 0.990 549 D CA 1.449 55.547 54.000 0.163 0.000 0.827 549 D CB -0.525 40.325 40.800 0.083 0.000 0.975 549 D HN 0.340 nan 8.370 nan 0.000 0.451 550 Y N 1.508 121.758 120.300 -0.083 0.000 2.145 550 Y HA -0.142 4.407 4.550 -0.002 0.000 0.286 550 Y C 2.620 178.353 175.900 -0.278 0.000 1.145 550 Y CA 1.355 59.359 58.100 -0.161 0.000 1.148 550 Y CB -0.930 37.430 38.460 -0.166 0.000 0.981 550 Y HN -0.053 nan 8.280 nan 0.000 0.507 551 S N -1.357 114.211 115.700 -0.221 0.000 2.584 551 S HA -0.186 4.283 4.470 -0.003 0.000 0.240 551 S C 1.332 175.664 174.600 -0.446 0.000 0.975 551 S CA 1.032 58.960 58.200 -0.454 0.000 0.949 551 S CB -0.767 62.001 63.200 -0.719 0.000 0.761 551 S HN 0.498 nan 8.310 nan 0.000 0.536 552 Y N 1.385 121.588 120.300 -0.162 0.000 2.464 552 Y HA 0.132 4.680 4.550 -0.002 0.000 0.288 552 Y C 2.736 178.551 175.900 -0.142 0.000 1.133 552 Y CA 0.219 58.285 58.100 -0.057 0.000 1.223 552 Y CB -0.097 38.377 38.460 0.024 0.000 1.187 552 Y HN 0.193 nan 8.280 nan 0.000 0.539 553 Q N 0.441 120.234 119.800 -0.012 0.000 1.975 553 Q HA -0.224 4.114 4.340 -0.003 0.000 0.205 553 Q C 1.524 177.393 176.000 -0.218 0.000 0.990 553 Q CA 1.642 57.389 55.803 -0.094 0.000 0.845 553 Q CB -0.376 28.292 28.738 -0.117 0.000 0.913 553 Q HN 0.505 nan 8.270 nan 0.000 0.420 554 N N -0.618 117.834 118.700 -0.413 0.000 2.453 554 N HA -0.113 4.625 4.740 -0.003 0.000 0.183 554 N C 1.009 175.967 175.510 -0.920 0.000 1.041 554 N CA 1.002 53.636 53.050 -0.693 0.000 0.900 554 N CB 0.173 38.083 38.487 -0.962 0.000 0.961 554 N HN 0.432 nan 8.380 nan 0.000 0.443 555 H N -0.731 118.123 119.070 -0.361 0.000 2.627 555 H HA 0.220 4.775 4.556 -0.002 0.000 0.211 555 H C 0.589 175.718 175.328 -0.331 0.000 0.873 555 H CA -0.482 55.258 56.048 -0.513 0.000 0.969 555 H CB 0.764 29.882 29.762 -1.074 0.000 1.328 555 H HN 0.009 nan 8.280 nan 0.000 0.423 556 I N 2.600 123.132 120.570 -0.063 0.000 2.587 556 I HA 0.225 4.393 4.170 -0.003 0.000 0.284 556 I C 1.056 177.308 176.117 0.224 0.000 1.134 556 I CA 1.462 62.982 61.300 0.366 0.000 1.410 556 I CB -0.003 38.388 38.000 0.651 0.000 1.392 556 I HN 0.615 nan 8.210 nan 0.000 0.545 557 G N 5.373 114.300 108.800 0.213 0.000 2.179 557 G HA2 -0.300 3.658 3.960 -0.003 0.000 0.220 557 G HA3 -0.300 3.658 3.960 -0.003 0.000 0.220 557 G C 0.644 175.600 174.900 0.094 0.000 0.990 557 G CA 0.384 45.565 45.100 0.134 0.000 0.646 557 G HN 0.694 nan 8.290 nan 0.000 0.517 558 K N -0.291 120.166 120.400 0.095 0.000 2.504 558 K HA 0.252 4.571 4.320 -0.003 0.000 0.203 558 K C 0.521 177.167 176.600 0.076 0.000 1.350 558 K CA 0.360 56.685 56.287 0.064 0.000 0.953 558 K CB 0.176 32.697 32.500 0.034 0.000 1.243 558 K HN 0.184 nan 8.250 nan 0.000 0.534 559 N N 0.679 119.444 118.700 0.109 0.000 2.456 559 N HA 0.151 4.889 4.740 -0.003 0.000 0.296 559 N C 0.328 175.934 175.510 0.160 0.000 1.102 559 N CA -0.174 52.945 53.050 0.115 0.000 0.924 559 N CB 1.373 39.917 38.487 0.094 0.000 1.186 559 N HN 0.199 nan 8.380 nan 0.000 0.492 560 R N 1.282 121.846 120.500 0.107 0.000 2.112 560 R HA 0.192 4.530 4.340 -0.003 0.000 0.216 560 R C 1.279 177.612 176.300 0.054 0.000 1.080 560 R CA 0.719 56.849 56.100 0.051 0.000 0.996 560 R CB -0.085 30.211 30.300 -0.007 0.000 0.902 560 R HN 0.393 nan 8.270 nan 0.000 0.449 561 M N 0.692 120.388 119.600 0.161 0.000 2.686 561 M HA 0.149 4.628 4.480 -0.003 0.000 0.246 561 M C -0.276 176.401 176.300 0.628 0.000 1.096 561 M CA 0.419 55.947 55.300 0.381 0.000 1.076 561 M CB -0.546 32.189 32.600 0.224 0.000 1.504 561 M HN 0.075 nan 8.290 nan 0.000 0.524 562 F N 0.973 121.097 119.950 0.289 0.000 2.539 562 F HA 0.459 4.985 4.527 -0.003 0.000 0.328 562 F C 0.103 176.032 175.800 0.216 0.000 1.148 562 F CA -0.535 57.576 58.000 0.185 0.000 0.940 562 F CB 1.100 40.112 39.000 0.020 0.000 1.194 562 F HN 0.055 nan 8.300 nan 0.000 0.438 563 T N 1.690 116.195 114.554 -0.081 0.000 2.669 563 T HA 0.574 4.922 4.350 -0.003 0.000 0.283 563 T C -0.914 173.725 174.700 -0.101 0.000 1.019 563 T CA -1.164 60.954 62.100 0.030 0.000 1.039 563 T CB 1.647 70.620 68.868 0.174 0.000 1.374 563 T HN 0.504 nan 8.240 nan 0.000 0.523 564 K N 0.883 121.300 120.400 0.028 0.000 2.090 564 K HA 0.563 4.881 4.320 -0.003 0.000 0.249 564 K C -2.676 173.913 176.600 -0.017 0.000 0.995 564 K CA -1.991 54.321 56.287 0.041 0.000 0.914 564 K CB 0.309 32.863 32.500 0.090 0.000 1.057 564 K HN 0.356 nan 8.250 nan 0.000 0.462 565 P HA -0.057 nan 4.420 nan 0.000 0.266 565 P C -0.393 176.877 177.300 -0.049 0.000 1.193 565 P CA 0.199 63.253 63.100 -0.076 0.000 0.770 565 P CB 0.555 32.193 31.700 -0.103 0.000 0.836 566 G N 1.385 110.152 108.800 -0.055 0.000 3.016 566 G HA2 0.386 4.344 3.960 -0.003 0.000 0.270 566 G HA3 0.386 4.344 3.960 -0.003 0.000 0.270 566 G C -0.879 174.002 174.900 -0.032 0.000 1.352 566 G CA -0.499 44.583 45.100 -0.031 0.000 1.060 566 G HN 0.354 nan 8.290 nan 0.000 0.538 567 K N 1.039 121.428 120.400 -0.019 0.000 2.416 567 K HA 0.179 4.498 4.320 -0.003 0.000 0.283 567 K C -2.078 174.510 176.600 -0.020 0.000 1.037 567 K CA -1.060 55.217 56.287 -0.017 0.000 0.995 567 K CB 0.476 32.970 32.500 -0.009 0.000 0.938 567 K HN 0.047 nan 8.250 nan 0.000 0.475 568 P HA -0.043 nan 4.420 nan 0.000 0.257 568 P C 0.153 177.443 177.300 -0.017 0.000 1.162 568 P CA 0.332 63.421 63.100 -0.019 0.000 0.762 568 P CB 0.493 32.186 31.700 -0.012 0.000 0.753 569 T N 2.692 117.234 114.554 -0.019 0.000 2.851 569 T HA 0.024 4.373 4.350 -0.003 0.000 0.262 569 T C 0.930 175.616 174.700 -0.024 0.000 1.043 569 T CA 0.985 63.073 62.100 -0.020 0.000 1.140 569 T CB 0.085 68.941 68.868 -0.019 0.000 0.872 569 T HN 0.292 nan 8.240 nan 0.000 0.446 570 R N 0.713 121.199 120.500 -0.022 0.000 2.939 570 R HA 0.501 4.839 4.340 -0.003 0.000 0.254 570 R C -2.926 173.366 176.300 -0.012 0.000 1.123 570 R CA -2.401 53.683 56.100 -0.027 0.000 1.020 570 R CB -0.159 30.117 30.300 -0.040 0.000 1.206 570 R HN 0.030 nan 8.270 nan 0.000 0.491 571 P HA 0.177 nan 4.420 nan 0.000 0.275 571 P C -0.059 177.247 177.300 0.010 0.000 1.228 571 P CA -0.017 63.082 63.100 -0.002 0.000 0.786 571 P CB 0.463 32.159 31.700 -0.006 0.000 0.927 572 N N 0.202 118.912 118.700 0.017 0.000 2.901 572 N HA -0.183 4.555 4.740 -0.003 0.000 0.248 572 N C -0.502 175.039 175.510 0.052 0.000 1.044 572 N CA -0.022 53.046 53.050 0.030 0.000 0.847 572 N CB -0.701 37.804 38.487 0.030 0.000 1.127 572 N HN 0.567 nan 8.380 nan 0.000 0.562 573 Q N 1.035 120.861 119.800 0.043 0.000 2.242 573 Q HA 0.086 4.424 4.340 -0.003 0.000 0.284 573 Q C 1.232 177.288 176.000 0.092 0.000 1.130 573 Q CA 0.859 56.697 55.803 0.058 0.000 0.940 573 Q CB 0.653 29.404 28.738 0.022 0.000 1.146 573 Q HN 0.392 nan 8.270 nan 0.000 0.388 574 G N 2.005 110.906 108.800 0.169 0.000 2.527 574 G HA2 -0.111 3.847 3.960 -0.003 0.000 0.279 574 G HA3 -0.111 3.847 3.960 -0.003 0.000 0.279 574 G C -0.008 175.048 174.900 0.261 0.000 1.374 574 G CA -0.341 44.910 45.100 0.252 0.000 1.053 574 G HN 0.717 nan 8.290 nan 0.000 0.539 575 H N -0.633 118.595 119.070 0.264 0.000 2.639 575 H HA 0.518 5.072 4.556 -0.003 0.000 0.373 575 H C 0.044 175.486 175.328 0.191 0.000 1.372 575 H CA 0.573 56.736 56.048 0.192 0.000 1.448 575 H CB 1.159 31.041 29.762 0.201 0.000 1.544 575 H HN 0.673 nan 8.280 nan 0.000 0.615 576 A N 1.460 124.111 122.820 -0.282 0.000 2.597 576 A HA 0.343 4.661 4.320 -0.003 0.000 0.292 576 A C -1.205 176.269 177.584 -0.182 0.000 1.057 576 A CA -0.578 51.416 52.037 -0.072 0.000 0.674 576 A CB 0.771 19.681 19.000 -0.151 0.000 1.278 576 A HN 0.842 nan 8.150 nan 0.000 0.416 577 H N -0.410 118.613 119.070 -0.078 0.000 2.788 577 H HA 0.478 5.033 4.556 -0.003 0.000 0.262 577 H C -0.251 175.136 175.328 0.098 0.000 0.968 577 H CA 1.299 57.394 56.048 0.078 0.000 1.218 577 H CB 0.676 30.542 29.762 0.173 0.000 1.443 577 H HN 0.774 nan 8.280 nan 0.000 0.478 578 F N -1.687 118.234 119.950 -0.047 0.000 2.719 578 F HA 0.551 5.077 4.527 -0.003 0.000 0.309 578 F C -1.563 174.083 175.800 -0.256 0.000 1.138 578 F CA -1.316 56.500 58.000 -0.306 0.000 0.943 578 F CB 1.534 40.131 39.000 -0.671 0.000 1.304 578 F HN -0.256 nan 8.300 nan 0.000 0.445 579 E N 1.486 121.530 120.200 -0.260 0.000 2.191 579 E HA 0.646 4.995 4.350 -0.003 0.000 0.274 579 E C -1.903 174.605 176.600 -0.153 0.000 0.948 579 E CA -1.116 55.119 56.400 -0.275 0.000 0.802 579 E CB 2.205 31.738 29.700 -0.278 0.000 1.137 579 E HN 0.640 nan 8.360 nan 0.000 0.397 580 L N 3.401 124.570 121.223 -0.091 0.000 2.356 580 L HA 0.232 4.571 4.340 -0.003 0.000 0.277 580 L C -0.877 175.889 176.870 -0.174 0.000 0.996 580 L CA -0.456 54.386 54.840 0.003 0.000 0.822 580 L CB 1.273 43.518 42.059 0.309 0.000 1.256 580 L HN 0.604 nan 8.230 nan 0.000 0.413 581 H N 4.698 123.797 119.070 0.047 0.000 2.923 581 H HA 0.228 4.782 4.556 -0.003 0.000 0.251 581 H C -0.061 175.317 175.328 0.084 0.000 1.741 581 H CA -0.238 55.849 56.048 0.064 0.000 1.387 581 H CB -0.266 29.539 29.762 0.072 0.000 1.740 581 H HN 0.487 nan 8.280 nan 0.000 0.544 582 H N 1.077 120.307 119.070 0.267 0.000 2.598 582 H HA -0.092 4.463 4.556 -0.002 0.000 0.371 582 H C 1.315 176.724 175.328 0.136 0.000 1.468 582 H CA 0.079 56.304 56.048 0.295 0.000 1.454 582 H CB 0.778 30.805 29.762 0.443 0.000 1.579 582 H HN 0.613 nan 8.280 nan 0.000 0.611 583 Y N -1.243 119.167 120.300 0.183 0.000 2.571 583 Y HA 0.227 4.775 4.550 -0.003 0.000 0.294 583 Y C 1.391 177.220 175.900 -0.118 0.000 1.141 583 Y CA 0.575 58.696 58.100 0.036 0.000 1.308 583 Y CB 0.119 38.600 38.460 0.035 0.000 1.002 583 Y HN 0.380 nan 8.280 nan 0.000 0.551 584 A N 0.373 122.523 122.820 -1.116 0.000 2.503 584 A HA 0.686 5.005 4.320 -0.003 0.000 0.263 584 A C 0.940 178.178 177.584 -0.577 0.000 1.258 584 A CA 0.306 51.666 52.037 -1.128 0.000 0.936 584 A CB -0.615 17.203 19.000 -1.970 0.000 1.070 584 A HN 0.858 nan 8.150 nan 0.000 0.522 585 G N -0.272 108.370 108.800 -0.263 0.000 2.355 585 G HA2 0.061 4.019 3.960 -0.003 0.000 0.619 585 G HA3 0.061 4.019 3.960 -0.003 0.000 0.619 585 G C -1.435 173.492 174.900 0.045 0.000 1.337 585 G CA -1.037 44.016 45.100 -0.077 0.000 0.993 585 G HN 0.208 nan 8.290 nan 0.000 0.599 586 N N -0.345 118.371 118.700 0.027 0.000 2.402 586 N HA 0.443 5.181 4.740 -0.003 0.000 0.252 586 N C 0.018 175.495 175.510 -0.055 0.000 1.118 586 N CA -0.104 52.921 53.050 -0.042 0.000 0.945 586 N CB 1.669 40.106 38.487 -0.082 0.000 1.147 586 N HN 0.523 nan 8.380 nan 0.000 0.495 587 V N 4.802 124.692 119.914 -0.039 0.000 2.370 587 V HA 0.348 4.467 4.120 -0.003 0.000 0.279 587 V C -2.071 173.751 176.094 -0.453 0.000 1.029 587 V CA -1.829 60.350 62.300 -0.202 0.000 0.870 587 V CB 1.599 33.304 31.823 -0.196 0.000 0.984 587 V HN 0.524 nan 8.190 nan 0.000 0.451 588 P HA 0.314 nan 4.420 nan 0.000 0.280 588 P C -1.269 175.732 177.300 -0.499 0.000 1.300 588 P CA -0.023 62.838 63.100 -0.397 0.000 0.785 588 P CB 0.092 31.657 31.700 -0.226 0.000 0.874 589 Y N 0.633 120.652 120.300 -0.469 0.000 2.457 589 Y HA 0.550 5.099 4.550 -0.003 0.000 0.333 589 Y C 0.943 176.651 175.900 -0.320 0.000 1.119 589 Y CA -0.504 57.355 58.100 -0.401 0.000 1.143 589 Y CB 1.794 39.949 38.460 -0.509 0.000 1.230 589 Y HN 0.148 nan 8.280 nan 0.000 0.469 590 S N 2.506 118.245 115.700 0.065 0.000 2.596 590 S HA 0.357 4.826 4.470 -0.003 0.000 0.318 590 S C -0.089 174.429 174.600 -0.136 0.000 1.097 590 S CA -0.771 57.504 58.200 0.124 0.000 1.080 590 S CB -0.163 63.200 63.200 0.272 0.000 0.991 590 S HN 0.559 nan 8.310 nan 0.000 0.471 591 I N 3.181 123.313 120.570 -0.730 0.000 3.688 591 I HA 0.457 4.625 4.170 -0.003 0.000 0.307 591 I C 0.798 176.535 176.117 -0.633 0.000 1.287 591 I CA -0.585 59.842 61.300 -1.456 0.000 1.192 591 I CB -0.778 36.594 38.000 -1.047 0.000 1.043 591 I HN 0.506 nan 8.210 nan 0.000 0.442 592 A N 1.340 124.054 122.820 -0.177 0.000 2.444 592 A HA 0.546 4.864 4.320 -0.003 0.000 0.273 592 A C 1.592 179.310 177.584 0.223 0.000 1.136 592 A CA 0.322 52.398 52.037 0.065 0.000 0.799 592 A CB -0.852 18.257 19.000 0.182 0.000 1.081 592 A HN 1.281 nan 8.150 nan 0.000 0.509 593 G N 1.683 110.568 108.800 0.141 0.000 2.199 593 G HA2 -0.290 3.668 3.960 -0.003 0.000 0.254 593 G HA3 -0.290 3.668 3.960 -0.003 0.000 0.254 593 G C 0.712 175.682 174.900 0.116 0.000 0.982 593 G CA 0.650 45.823 45.100 0.120 0.000 0.632 593 G HN 0.779 nan 8.290 nan 0.000 0.529 594 W N 0.482 121.669 121.300 -0.189 0.000 2.336 594 W HA 0.051 4.710 4.660 -0.002 0.000 0.277 594 W C 2.295 178.473 176.519 -0.568 0.000 1.211 594 W CA 1.613 58.715 57.345 -0.405 0.000 1.187 594 W CB -0.697 28.550 29.460 -0.356 0.000 1.132 594 W HN 0.384 nan 8.180 nan 0.000 0.562 595 L N -0.556 120.538 121.223 -0.214 0.000 2.240 595 L HA -0.110 4.229 4.340 -0.003 0.000 0.211 595 L C 1.900 178.653 176.870 -0.196 0.000 1.106 595 L CA 1.589 56.273 54.840 -0.260 0.000 0.793 595 L CB -0.937 41.009 42.059 -0.189 0.000 0.927 595 L HN -0.093 nan 8.230 nan 0.000 0.446 596 D N -0.274 120.039 120.400 -0.145 0.000 2.240 596 D HA -0.060 4.579 4.640 -0.003 0.000 0.206 596 D C 1.775 177.992 176.300 -0.138 0.000 0.963 596 D CA 0.596 54.532 54.000 -0.106 0.000 0.863 596 D CB 0.088 40.856 40.800 -0.054 0.000 0.973 596 D HN 0.332 nan 8.370 nan 0.000 0.501 597 K N 0.635 120.904 120.400 -0.217 0.000 2.486 597 K HA 0.021 4.339 4.320 -0.003 0.000 0.194 597 K C 1.558 177.964 176.600 -0.323 0.000 1.033 597 K CA 0.216 56.363 56.287 -0.234 0.000 1.004 597 K CB 0.269 32.619 32.500 -0.250 0.000 0.798 597 K HN 0.129 nan 8.250 nan 0.000 0.495 598 N N 1.308 119.749 118.700 -0.432 0.000 2.436 598 N HA -0.039 4.699 4.740 -0.003 0.000 0.178 598 N C -0.281 175.159 175.510 -0.118 0.000 1.026 598 N CA 0.070 52.922 53.050 -0.329 0.000 0.880 598 N CB 0.530 38.743 38.487 -0.458 0.000 1.061 598 N HN 0.080 nan 8.380 nan 0.000 0.434 599 K N 0.674 121.004 120.400 -0.116 0.000 2.130 599 K HA 0.317 4.636 4.320 -0.003 0.000 0.268 599 K C -1.590 174.988 176.600 -0.037 0.000 0.983 599 K CA -0.600 55.654 56.287 -0.055 0.000 0.893 599 K CB 1.975 34.444 32.500 -0.050 0.000 1.066 599 K HN -0.158 nan 8.250 nan 0.000 0.450 600 D N 3.146 123.538 120.400 -0.013 0.000 2.392 600 D HA 0.274 4.912 4.640 -0.003 0.000 0.228 600 D C -2.348 173.955 176.300 0.005 0.000 1.074 600 D CA -1.585 52.414 54.000 -0.002 0.000 0.838 600 D CB 1.050 41.855 40.800 0.010 0.000 1.067 600 D HN 0.353 nan 8.370 nan 0.000 0.511 601 P HA 0.326 nan 4.420 nan 0.000 0.282 601 P C -1.035 176.280 177.300 0.024 0.000 1.262 601 P CA -0.446 62.660 63.100 0.010 0.000 0.773 601 P CB 0.697 32.398 31.700 0.002 0.000 0.879 602 I N 3.017 123.607 120.570 0.033 0.000 2.610 602 I HA 0.162 4.331 4.170 -0.003 0.000 0.289 602 I C -0.620 175.530 176.117 0.055 0.000 1.163 602 I CA -0.835 60.498 61.300 0.055 0.000 1.044 602 I CB 1.871 39.915 38.000 0.074 0.000 1.251 602 I HN 0.241 nan 8.210 nan 0.000 0.424 603 N N 4.936 123.668 118.700 0.053 0.000 2.291 603 N HA -0.103 4.636 4.740 -0.003 0.000 0.281 603 N C 0.893 176.435 175.510 0.053 0.000 1.388 603 N CA 0.430 53.507 53.050 0.043 0.000 0.920 603 N CB 0.416 38.926 38.487 0.038 0.000 1.276 603 N HN 0.389 nan 8.380 nan 0.000 0.493 604 E N 0.943 121.168 120.200 0.042 0.000 2.273 604 E HA -0.238 4.111 4.350 -0.003 0.000 0.198 604 E C 1.247 177.872 176.600 0.042 0.000 1.002 604 E CA 0.809 57.236 56.400 0.044 0.000 0.828 604 E CB -0.044 29.674 29.700 0.030 0.000 0.747 604 E HN 0.502 nan 8.360 nan 0.000 0.491 605 N N 0.249 118.968 118.700 0.032 0.000 2.173 605 N HA -0.080 4.659 4.740 -0.003 0.000 0.184 605 N C 1.640 177.163 175.510 0.021 0.000 1.025 605 N CA 0.861 53.925 53.050 0.023 0.000 0.852 605 N CB -0.106 38.391 38.487 0.017 0.000 0.998 605 N HN 0.073 nan 8.380 nan 0.000 0.427 606 V N 0.822 120.752 119.914 0.025 0.000 2.392 606 V HA -0.173 3.946 4.120 -0.003 0.000 0.249 606 V C 2.468 178.557 176.094 -0.007 0.000 1.059 606 V CA 1.140 63.445 62.300 0.009 0.000 1.051 606 V CB -0.387 31.452 31.823 0.026 0.000 0.658 606 V HN 0.113 nan 8.190 nan 0.000 0.455 607 V N 1.018 120.971 119.914 0.066 0.000 2.295 607 V HA -0.258 3.860 4.120 -0.003 0.000 0.246 607 V C 2.675 178.815 176.094 0.077 0.000 1.049 607 V CA 2.326 64.715 62.300 0.150 0.000 1.024 607 V CB -1.040 30.912 31.823 0.215 0.000 0.648 607 V HN 0.773 nan 8.190 nan 0.000 0.447 608 S N 0.553 116.284 115.700 0.051 0.000 2.374 608 S HA -0.209 4.259 4.470 -0.003 0.000 0.227 608 S C 1.969 176.565 174.600 -0.008 0.000 1.037 608 S CA 1.752 59.969 58.200 0.029 0.000 1.024 608 S CB -0.810 62.403 63.200 0.022 0.000 0.861 608 S HN 0.513 nan 8.310 nan 0.000 0.456 609 L N 0.433 121.636 121.223 -0.033 0.000 2.083 609 L HA 0.008 4.346 4.340 -0.003 0.000 0.209 609 L C 2.552 179.354 176.870 -0.113 0.000 1.083 609 L CA 1.103 55.907 54.840 -0.060 0.000 0.752 609 L CB -0.523 41.502 42.059 -0.056 0.000 0.899 609 L HN 0.303 nan 8.230 nan 0.000 0.433 610 L N -0.926 120.175 121.223 -0.203 0.000 2.270 610 L HA -0.029 4.309 4.340 -0.003 0.000 0.210 610 L C 2.811 179.566 176.870 -0.192 0.000 1.104 610 L CA 0.602 55.225 54.840 -0.362 0.000 0.804 610 L CB -0.547 40.936 42.059 -0.959 0.000 0.937 610 L HN 0.174 nan 8.230 nan 0.000 0.450 611 A N -0.067 122.721 122.820 -0.054 0.000 1.908 611 A HA -0.155 4.164 4.320 -0.003 0.000 0.218 611 A C 1.963 179.548 177.584 0.002 0.000 1.181 611 A CA 1.874 53.939 52.037 0.047 0.000 0.627 611 A CB -0.677 18.361 19.000 0.064 0.000 0.818 611 A HN 0.231 nan 8.150 nan 0.000 0.445 612 V N 0.481 120.379 119.914 -0.026 0.000 3.577 612 V HA 0.056 4.174 4.120 -0.003 0.000 0.294 612 V C 1.239 177.304 176.094 -0.049 0.000 1.317 612 V CA 0.533 62.816 62.300 -0.029 0.000 1.169 612 V CB -1.285 30.524 31.823 -0.023 0.000 1.011 612 V HN 0.537 nan 8.190 nan 0.000 0.426 613 S N 0.618 116.273 115.700 -0.075 0.000 2.563 613 S HA 0.006 4.474 4.470 -0.003 0.000 0.269 613 S C 1.334 175.888 174.600 -0.076 0.000 1.364 613 S CA 0.326 58.470 58.200 -0.093 0.000 1.010 613 S CB 0.730 63.848 63.200 -0.135 0.000 0.877 613 S HN 0.526 nan 8.310 nan 0.000 0.549 614 K N 0.664 121.014 120.400 -0.084 0.000 2.242 614 K HA 0.101 4.420 4.320 -0.003 0.000 0.200 614 K C 0.433 176.977 176.600 -0.093 0.000 1.050 614 K CA 0.285 56.525 56.287 -0.078 0.000 0.981 614 K CB 0.015 32.470 32.500 -0.075 0.000 0.795 614 K HN 0.686 nan 8.250 nan 0.000 0.477 615 E N 2.042 122.173 120.200 -0.116 0.000 2.265 615 E HA 0.013 4.361 4.350 -0.003 0.000 0.272 615 E C -2.069 174.457 176.600 -0.123 0.000 1.067 615 E CA -2.084 54.238 56.400 -0.130 0.000 0.900 615 E CB 1.024 30.631 29.700 -0.156 0.000 1.017 615 E HN -0.127 nan 8.360 nan 0.000 0.431 616 P HA -0.282 nan 4.420 nan 0.000 0.222 616 P C 1.063 178.273 177.300 -0.151 0.000 1.157 616 P CA 0.902 63.934 63.100 -0.112 0.000 0.905 616 P CB 0.109 31.744 31.700 -0.108 0.000 0.792 617 L N -0.612 120.475 121.223 -0.227 0.000 1.961 617 L HA -0.147 4.191 4.340 -0.003 0.000 0.210 617 L C 2.268 179.017 176.870 -0.202 0.000 1.072 617 L CA 1.847 56.481 54.840 -0.344 0.000 0.749 617 L CB -1.345 40.442 42.059 -0.454 0.000 0.889 617 L HN -0.185 nan 8.230 nan 0.000 0.432 618 V N 0.513 120.346 119.914 -0.135 0.000 2.250 618 V HA -0.407 3.712 4.120 -0.003 0.000 0.253 618 V C 2.817 178.945 176.094 0.056 0.000 1.065 618 V CA 2.105 64.386 62.300 -0.030 0.000 1.039 618 V CB -1.703 30.052 31.823 -0.114 0.000 0.647 618 V HN 0.665 nan 8.190 nan 0.000 0.446 619 A N -0.697 122.112 122.820 -0.018 0.000 1.908 619 A HA -0.300 4.018 4.320 -0.003 0.000 0.218 619 A C 2.305 179.923 177.584 0.058 0.000 1.181 619 A CA 2.108 54.155 52.037 0.016 0.000 0.627 619 A CB -0.573 18.414 19.000 -0.023 0.000 0.818 619 A HN 0.653 nan 8.150 nan 0.000 0.445 620 E N -0.354 119.849 120.200 0.005 0.000 2.204 620 E HA -0.084 4.264 4.350 -0.003 0.000 0.194 620 E C 1.765 178.384 176.600 0.032 0.000 0.989 620 E CA 0.589 56.996 56.400 0.011 0.000 0.824 620 E CB -0.158 29.529 29.700 -0.022 0.000 0.756 620 E HN 0.656 nan 8.360 nan 0.000 0.477 621 L N -0.322 120.935 121.223 0.057 0.000 2.291 621 L HA -0.049 4.290 4.340 -0.003 0.000 0.214 621 L C 0.516 177.302 176.870 -0.141 0.000 1.120 621 L CA 0.453 55.295 54.840 0.002 0.000 0.799 621 L CB 0.131 42.239 42.059 0.081 0.000 0.925 621 L HN 0.117 nan 8.230 nan 0.000 0.446 622 F N -0.262 119.672 119.950 -0.026 0.000 2.739 622 F HA 0.337 4.862 4.527 -0.003 0.000 0.345 622 F C 0.901 176.697 175.800 -0.007 0.000 1.373 622 F CA -0.603 57.391 58.000 -0.010 0.000 1.160 622 F CB -0.086 38.907 39.000 -0.012 0.000 1.137 622 F HN -0.167 nan 8.300 nan 0.000 0.524 623 R N 0.135 120.690 120.500 0.091 0.000 2.917 623 R HA 0.913 5.251 4.340 -0.003 0.000 0.220 623 R C -0.189 176.132 176.300 0.036 0.000 1.485 623 R CA -0.974 55.164 56.100 0.064 0.000 1.037 623 R CB 0.633 30.959 30.300 0.044 0.000 1.929 623 R HN 0.228 nan 8.270 nan 0.000 0.526 624 A N 0.459 123.295 122.820 0.027 0.000 2.387 624 A HA 0.756 5.074 4.320 -0.003 0.000 0.298 624 A C -2.162 175.428 177.584 0.011 0.000 1.165 624 A CA -0.882 51.165 52.037 0.018 0.000 0.814 624 A CB 0.886 19.898 19.000 0.020 0.000 1.357 624 A HN 0.727 nan 8.150 nan 0.000 0.443 625 P HA 0.726 nan 4.420 nan 0.000 0.275 625 P C -1.469 175.835 177.300 0.006 0.000 1.208 625 P CA 0.093 63.197 63.100 0.006 0.000 0.722 625 P CB 0.642 32.344 31.700 0.003 0.000 1.891 644 T N 1.104 115.677 114.554 0.032 0.000 2.791 644 T HA 0.178 4.527 4.350 -0.003 0.000 0.323 644 T C 1.688 176.429 174.700 0.067 0.000 1.082 644 T CA 0.523 62.647 62.100 0.040 0.000 1.084 644 T CB -0.202 68.685 68.868 0.032 0.000 0.992 644 T HN 0.339 nan 8.240 nan 0.000 0.547 645 I N 1.911 122.531 120.570 0.084 0.000 2.034 645 I HA -0.209 3.960 4.170 -0.003 0.000 0.228 645 I C 2.932 179.151 176.117 0.171 0.000 1.041 645 I CA 1.882 63.262 61.300 0.134 0.000 1.321 645 I CB -0.983 37.130 38.000 0.188 0.000 1.062 645 I HN 0.885 nan 8.210 nan 0.000 0.389 646 S N 1.534 117.369 115.700 0.224 0.000 2.413 646 S HA -0.276 4.192 4.470 -0.003 0.000 0.237 646 S C 2.052 176.746 174.600 0.155 0.000 1.044 646 S CA 1.354 59.680 58.200 0.209 0.000 1.024 646 S CB -0.899 62.447 63.200 0.244 0.000 0.829 646 S HN 0.543 nan 8.310 nan 0.000 0.475 647 A N 1.156 124.049 122.820 0.121 0.000 1.929 647 A HA 0.176 4.494 4.320 -0.003 0.000 0.216 647 A C 2.386 180.029 177.584 0.099 0.000 1.176 647 A CA 1.206 53.297 52.037 0.091 0.000 0.628 647 A CB -0.864 18.176 19.000 0.068 0.000 0.816 647 A HN 0.411 nan 8.150 nan 0.000 0.444 648 V N -0.523 119.462 119.914 0.117 0.000 2.237 648 V HA -0.275 3.844 4.120 -0.003 0.000 0.245 648 V C 2.500 178.689 176.094 0.158 0.000 1.046 648 V CA 2.537 64.908 62.300 0.119 0.000 1.007 648 V CB -0.913 30.982 31.823 0.120 0.000 0.638 648 V HN 0.815 nan 8.190 nan 0.000 0.445 649 H N 0.478 119.614 119.070 0.110 0.000 2.353 649 H HA -0.194 4.361 4.556 -0.003 0.000 0.298 649 H C 2.367 177.795 175.328 0.166 0.000 1.103 649 H CA 2.326 58.462 56.048 0.147 0.000 1.293 649 H CB -0.188 29.650 29.762 0.126 0.000 1.372 649 H HN 0.227 nan 8.280 nan 0.000 0.501 650 R N -0.217 120.318 120.500 0.058 0.000 2.237 650 R HA -0.115 4.224 4.340 -0.003 0.000 0.219 650 R C 1.714 178.020 176.300 0.011 0.000 1.080 650 R CA 1.354 57.476 56.100 0.036 0.000 0.995 650 R CB 0.112 30.469 30.300 0.095 0.000 0.875 650 R HN 0.275 nan 8.270 nan 0.000 0.462 651 E N -0.115 120.103 120.200 0.030 0.000 2.102 651 E HA -0.056 4.292 4.350 -0.003 0.000 0.190 651 E C 1.676 178.297 176.600 0.036 0.000 0.971 651 E CA 1.577 57.998 56.400 0.035 0.000 0.821 651 E CB 0.093 29.821 29.700 0.047 0.000 0.777 651 E HN 0.326 nan 8.360 nan 0.000 0.460 652 S N 0.118 115.853 115.700 0.057 0.000 2.481 652 S HA -0.043 4.425 4.470 -0.003 0.000 0.231 652 S C 2.043 176.721 174.600 0.131 0.000 0.996 652 S CA 0.478 58.758 58.200 0.132 0.000 0.942 652 S CB -0.255 63.071 63.200 0.211 0.000 0.768 652 S HN 0.262 nan 8.310 nan 0.000 0.520 653 L N 1.755 122.941 121.223 -0.062 0.000 2.023 653 L HA -0.055 4.283 4.340 -0.003 0.000 0.205 653 L C 2.040 178.852 176.870 -0.097 0.000 1.073 653 L CA 1.270 56.010 54.840 -0.168 0.000 0.745 653 L CB -0.542 41.323 42.059 -0.324 0.000 0.900 653 L HN 0.301 nan 8.230 nan 0.000 0.435 654 N N 0.342 119.012 118.700 -0.051 0.000 2.272 654 N HA -0.253 4.486 4.740 -0.003 0.000 0.185 654 N C 1.586 177.087 175.510 -0.014 0.000 1.014 654 N CA 1.172 54.204 53.050 -0.029 0.000 0.870 654 N CB -0.216 38.272 38.487 0.001 0.000 0.975 654 N HN 0.406 nan 8.380 nan 0.000 0.433 655 K N 0.947 121.356 120.400 0.016 0.000 1.984 655 K HA -0.095 4.224 4.320 -0.003 0.000 0.209 655 K C 2.043 178.665 176.600 0.036 0.000 1.046 655 K CA 0.669 56.983 56.287 0.045 0.000 0.934 655 K CB -0.297 32.252 32.500 0.083 0.000 0.717 655 K HN -0.032 nan 8.250 nan 0.000 0.438 656 L N 1.411 122.654 121.223 0.032 0.000 1.997 656 L HA -0.249 4.089 4.340 -0.003 0.000 0.216 656 L C 2.252 179.011 176.870 -0.184 0.000 1.074 656 L CA 1.926 56.726 54.840 -0.067 0.000 0.763 656 L CB -0.515 41.444 42.059 -0.167 0.000 0.890 656 L HN 0.354 nan 8.230 nan 0.000 0.434 657 M N -1.606 117.881 119.600 -0.188 0.000 2.086 657 M HA -0.228 4.250 4.480 -0.003 0.000 0.261 657 M C 2.524 178.737 176.300 -0.145 0.000 1.067 657 M CA 1.690 56.850 55.300 -0.233 0.000 1.116 657 M CB -2.007 30.485 32.600 -0.180 0.000 1.348 657 M HN 0.411 nan 8.290 nan 0.000 0.407 658 C N 1.065 120.331 119.300 -0.057 0.000 2.398 658 C HA -0.192 4.267 4.460 -0.003 0.000 0.276 658 C C 2.705 177.709 174.990 0.024 0.000 1.222 658 C CA 1.039 60.055 59.018 -0.003 0.000 1.746 658 C CB -1.305 26.450 27.740 0.026 0.000 2.039 658 C HN 0.583 nan 8.230 nan 0.000 0.470 659 N N 0.587 119.310 118.700 0.038 0.000 2.084 659 N HA -0.078 4.661 4.740 -0.003 0.000 0.190 659 N C 1.664 177.228 175.510 0.090 0.000 1.030 659 N CA 1.291 54.420 53.050 0.131 0.000 0.849 659 N CB -0.442 38.172 38.487 0.212 0.000 1.012 659 N HN 0.508 nan 8.380 nan 0.000 0.423 660 L N 1.135 122.286 121.223 -0.120 0.000 2.093 660 L HA -0.059 4.279 4.340 -0.003 0.000 0.208 660 L C 2.019 178.842 176.870 -0.078 0.000 1.085 660 L CA 0.795 55.476 54.840 -0.266 0.000 0.755 660 L CB -0.208 41.369 42.059 -0.803 0.000 0.904 660 L HN 0.035 nan 8.230 nan 0.000 0.435 661 R N 0.304 120.787 120.500 -0.028 0.000 2.357 661 R HA -0.012 4.326 4.340 -0.003 0.000 0.202 661 R C 0.764 177.164 176.300 0.167 0.000 1.047 661 R CA 0.506 56.731 56.100 0.209 0.000 1.034 661 R CB -0.281 30.090 30.300 0.118 0.000 0.875 661 R HN 0.282 nan 8.270 nan 0.000 0.473 662 R N 0.781 121.355 120.500 0.123 0.000 2.748 662 R HA 0.122 4.461 4.340 -0.003 0.000 0.395 662 R C -0.081 176.260 176.300 0.069 0.000 1.128 662 R CA 0.114 56.278 56.100 0.106 0.000 1.042 662 R CB 0.910 31.282 30.300 0.121 0.000 1.392 662 R HN 0.197 nan 8.270 nan 0.000 0.582 663 T N -3.437 111.153 114.554 0.061 0.000 2.754 663 T HA 0.318 4.666 4.350 -0.003 0.000 0.296 663 T C -0.858 173.825 174.700 -0.028 0.000 1.205 663 T CA -0.850 61.237 62.100 -0.020 0.000 1.009 663 T CB 1.926 70.763 68.868 -0.051 0.000 1.368 663 T HN -0.055 nan 8.240 nan 0.000 0.509 664 N N 1.842 120.479 118.700 -0.105 0.000 2.485 664 N HA 0.545 5.284 4.740 -0.003 0.000 0.243 664 N C -2.724 172.562 175.510 -0.373 0.000 0.987 664 N CA -1.733 51.190 53.050 -0.212 0.000 0.940 664 N CB 1.126 39.511 38.487 -0.170 0.000 1.122 664 N HN 0.328 nan 8.380 nan 0.000 0.509 665 P HA 0.149 nan 4.420 nan 0.000 0.273 665 P C -1.114 175.673 177.300 -0.854 0.000 1.250 665 P CA 0.312 63.067 63.100 -0.574 0.000 0.793 665 P CB 0.505 31.901 31.700 -0.506 0.000 1.011 666 H N -0.079 118.648 119.070 -0.573 0.000 3.087 666 H HA 0.329 4.884 4.556 -0.001 0.000 0.348 666 H C -1.149 173.889 175.328 -0.483 0.000 1.092 666 H CA -0.143 55.747 56.048 -0.264 0.000 1.285 666 H CB 0.607 30.329 29.762 -0.065 0.000 1.875 666 H HN 0.242 nan 8.280 nan 0.000 0.512 667 F N 1.147 121.288 119.950 0.318 0.000 2.520 667 F HA 0.509 5.035 4.527 -0.002 0.000 0.322 667 F C 0.119 176.104 175.800 0.308 0.000 1.103 667 F CA -0.924 57.273 58.000 0.330 0.000 0.926 667 F CB 1.865 41.136 39.000 0.452 0.000 1.154 667 F HN 0.077 nan 8.300 nan 0.000 0.453 668 V N 3.740 123.870 119.914 0.359 0.000 2.531 668 V HA 0.539 4.657 4.120 -0.003 0.000 0.301 668 V C -0.449 175.736 176.094 0.151 0.000 1.034 668 V CA -0.907 61.540 62.300 0.244 0.000 0.865 668 V CB 1.880 33.803 31.823 0.166 0.000 0.995 668 V HN 0.590 nan 8.190 nan 0.000 0.424 669 R N 2.693 123.236 120.500 0.073 0.000 2.288 669 R HA 0.442 4.780 4.340 -0.003 0.000 0.326 669 R C -0.975 175.294 176.300 -0.051 0.000 0.959 669 R CA -0.353 55.709 56.100 -0.062 0.000 0.834 669 R CB 1.398 31.536 30.300 -0.270 0.000 1.157 669 R HN 0.649 nan 8.270 nan 0.000 0.470 670 C N 5.111 124.384 119.300 -0.044 0.000 2.415 670 C HA 0.528 4.986 4.460 -0.003 0.000 0.369 670 C C 0.707 175.646 174.990 -0.086 0.000 1.279 670 C CA -0.356 58.630 59.018 -0.055 0.000 1.886 670 C CB -0.493 27.226 27.740 -0.035 0.000 2.468 670 C HN 0.631 nan 8.230 nan 0.000 0.553 671 I N 4.707 125.208 120.570 -0.114 0.000 2.466 671 I HA 0.406 4.575 4.170 -0.003 0.000 0.289 671 I C -0.213 175.819 176.117 -0.141 0.000 1.026 671 I CA -0.389 60.837 61.300 -0.123 0.000 1.078 671 I CB 1.402 39.317 38.000 -0.142 0.000 1.249 671 I HN 0.570 nan 8.210 nan 0.000 0.429 672 I N 8.462 128.978 120.570 -0.089 0.000 2.325 672 I HA 0.282 4.451 4.170 -0.003 0.000 0.291 672 I C -1.329 174.772 176.117 -0.026 0.000 1.019 672 I CA -2.018 59.252 61.300 -0.049 0.000 1.302 672 I CB 1.771 39.780 38.000 0.016 0.000 1.401 672 I HN 0.453 nan 8.210 nan 0.000 0.485 673 P HA -0.055 nan 4.420 nan 0.000 0.221 673 P C -0.789 176.556 177.300 0.075 0.000 1.150 673 P CA 1.028 64.129 63.100 0.001 0.000 0.800 673 P CB 0.009 31.700 31.700 -0.016 0.000 0.787 674 N N -2.202 116.571 118.700 0.122 0.000 3.116 674 N HA 0.200 4.938 4.740 -0.003 0.000 0.244 674 N C -0.537 175.011 175.510 0.063 0.000 1.485 674 N CA -0.876 52.218 53.050 0.074 0.000 0.884 674 N CB 0.048 38.568 38.487 0.056 0.000 1.415 674 N HN -0.291 nan 8.380 nan 0.000 0.524 675 L N -0.490 120.748 121.223 0.025 0.000 2.783 675 L HA 0.397 4.736 4.340 -0.003 0.000 0.236 675 L C 0.262 177.118 176.870 -0.024 0.000 1.225 675 L CA 0.223 55.073 54.840 0.016 0.000 1.026 675 L CB -0.387 41.681 42.059 0.016 0.000 1.314 675 L HN 0.662 nan 8.230 nan 0.000 0.489 676 E N -0.220 119.937 120.200 -0.071 0.000 2.715 676 E HA 0.086 4.435 4.350 -0.003 0.000 0.224 676 E C -0.044 176.392 176.600 -0.273 0.000 0.962 676 E CA -0.178 56.148 56.400 -0.124 0.000 1.145 676 E CB 0.656 30.303 29.700 -0.087 0.000 1.083 676 E HN 0.210 nan 8.360 nan 0.000 0.506 677 K N 1.130 121.224 120.400 -0.510 0.000 3.048 677 K HA -0.166 4.153 4.320 -0.003 0.000 0.274 677 K C -0.800 175.214 176.600 -0.977 0.000 1.098 677 K CA 0.910 56.403 56.287 -1.322 0.000 0.807 677 K CB -1.201 30.843 32.500 -0.759 0.000 1.217 677 K HN 0.116 nan 8.250 nan 0.000 0.477 678 D N 1.000 121.126 120.400 -0.457 0.000 2.225 678 D HA 0.254 4.893 4.640 -0.003 0.000 0.248 678 D C -2.309 173.985 176.300 -0.010 0.000 1.096 678 D CA -1.919 51.974 54.000 -0.177 0.000 0.863 678 D CB 1.161 41.912 40.800 -0.080 0.000 1.156 678 D HN -0.081 nan 8.370 nan 0.000 0.450 679 P HA 0.210 nan 4.420 nan 0.000 0.274 679 P C 0.950 178.271 177.300 0.034 0.000 1.231 679 P CA -0.003 63.191 63.100 0.157 0.000 0.790 679 P CB 0.917 32.680 31.700 0.106 0.000 0.951 680 G N 0.726 109.457 108.800 -0.116 0.000 2.220 680 G HA2 -0.269 3.690 3.960 -0.003 0.000 0.269 680 G HA3 -0.269 3.690 3.960 -0.003 0.000 0.269 680 G C -0.066 174.838 174.900 0.006 0.000 0.977 680 G CA 0.159 45.089 45.100 -0.284 0.000 0.634 680 G HN 0.581 nan 8.290 nan 0.000 0.539 681 L N 1.497 122.800 121.223 0.134 0.000 2.290 681 L HA 0.725 5.064 4.340 -0.003 0.000 0.284 681 L C 0.070 177.056 176.870 0.194 0.000 1.078 681 L CA -0.868 54.047 54.840 0.123 0.000 0.815 681 L CB 1.696 43.797 42.059 0.071 0.000 1.162 681 L HN 0.093 nan 8.230 nan 0.000 0.435 682 V N 4.406 124.407 119.914 0.145 0.000 2.604 682 V HA 0.422 4.541 4.120 -0.003 0.000 0.305 682 V C -0.924 175.210 176.094 0.067 0.000 1.043 682 V CA -0.686 61.690 62.300 0.126 0.000 0.888 682 V CB 1.812 33.720 31.823 0.142 0.000 0.995 682 V HN 0.784 nan 8.190 nan 0.000 0.429 683 D N 3.199 123.625 120.400 0.043 0.000 2.461 683 D HA 0.567 5.206 4.640 -0.003 0.000 0.240 683 D C 0.779 177.079 176.300 0.001 0.000 1.094 683 D CA 0.064 54.076 54.000 0.018 0.000 0.868 683 D CB 1.868 42.676 40.800 0.014 0.000 1.062 683 D HN 0.526 nan 8.370 nan 0.000 0.530 684 A N 4.045 126.862 122.820 -0.005 0.000 1.869 684 A HA -0.243 4.075 4.320 -0.003 0.000 0.218 684 A C 1.874 179.431 177.584 -0.046 0.000 1.203 684 A CA 1.894 53.916 52.037 -0.025 0.000 0.638 684 A CB -0.655 18.323 19.000 -0.038 0.000 0.831 684 A HN 0.711 nan 8.150 nan 0.000 0.450 685 E N -0.992 119.172 120.200 -0.060 0.000 2.130 685 E HA -0.226 4.123 4.350 -0.003 0.000 0.196 685 E C 1.865 178.441 176.600 -0.040 0.000 0.998 685 E CA 1.381 57.737 56.400 -0.073 0.000 0.806 685 E CB -0.174 29.474 29.700 -0.087 0.000 0.738 685 E HN 0.474 nan 8.360 nan 0.000 0.459 686 L N -0.040 121.169 121.223 -0.024 0.000 1.988 686 L HA -0.141 4.197 4.340 -0.003 0.000 0.207 686 L C 2.307 179.190 176.870 0.023 0.000 1.071 686 L CA 1.366 56.208 54.840 0.004 0.000 0.744 686 L CB -0.632 41.428 42.059 0.002 0.000 0.893 686 L HN 0.013 nan 8.230 nan 0.000 0.433 687 V N -0.192 119.718 119.914 -0.006 0.000 2.255 687 V HA -0.339 3.779 4.120 -0.003 0.000 0.247 687 V C 2.625 178.707 176.094 -0.020 0.000 1.051 687 V CA 2.145 64.429 62.300 -0.027 0.000 1.018 687 V CB -0.693 31.107 31.823 -0.040 0.000 0.641 687 V HN 0.438 nan 8.190 nan 0.000 0.445 688 L N -0.695 120.522 121.223 -0.009 0.000 2.043 688 L HA -0.287 4.052 4.340 -0.003 0.000 0.212 688 L C 2.628 179.505 176.870 0.012 0.000 1.075 688 L CA 2.179 57.016 54.840 -0.004 0.000 0.752 688 L CB -0.737 41.309 42.059 -0.022 0.000 0.891 688 L HN 0.450 nan 8.230 nan 0.000 0.432 689 H N -0.154 118.867 119.070 -0.082 0.000 2.352 689 H HA -0.190 4.364 4.556 -0.003 0.000 0.299 689 H C 2.348 177.615 175.328 -0.101 0.000 1.097 689 H CA 1.903 57.897 56.048 -0.091 0.000 1.311 689 H CB 0.058 29.768 29.762 -0.085 0.000 1.377 689 H HN 0.331 nan 8.280 nan 0.000 0.504 690 Q N -0.261 119.500 119.800 -0.065 0.000 2.050 690 Q HA -0.121 4.218 4.340 -0.003 0.000 0.202 690 Q C 2.554 178.447 176.000 -0.178 0.000 0.980 690 Q CA 1.573 57.292 55.803 -0.140 0.000 0.840 690 Q CB -0.128 28.558 28.738 -0.086 0.000 0.898 690 Q HN 0.447 nan 8.270 nan 0.000 0.424 691 L N 0.686 121.826 121.223 -0.139 0.000 2.129 691 L HA -0.274 4.065 4.340 -0.003 0.000 0.212 691 L C 2.585 179.357 176.870 -0.162 0.000 1.087 691 L CA 1.153 55.906 54.840 -0.145 0.000 0.757 691 L CB -0.407 41.595 42.059 -0.096 0.000 0.896 691 L HN 0.274 nan 8.230 nan 0.000 0.434 692 Q N -0.282 119.407 119.800 -0.186 0.000 2.119 692 Q HA -0.150 4.189 4.340 -0.003 0.000 0.201 692 Q C 2.007 177.813 176.000 -0.323 0.000 0.972 692 Q CA 2.059 57.728 55.803 -0.223 0.000 0.847 692 Q CB -0.157 28.439 28.738 -0.237 0.000 0.903 692 Q HN 0.584 nan 8.270 nan 0.000 0.433 693 C N -0.504 118.572 119.300 -0.372 0.000 3.065 693 C HA 0.353 4.812 4.460 -0.003 0.000 0.285 693 C C 2.105 176.968 174.990 -0.212 0.000 1.257 693 C CA -0.161 58.594 59.018 -0.439 0.000 1.691 693 C CB -1.124 26.346 27.740 -0.449 0.000 2.089 693 C HN 0.590 nan 8.230 nan 0.000 0.630 694 N N 1.515 120.094 118.700 -0.203 0.000 2.025 694 N HA 0.047 4.786 4.740 -0.003 0.000 0.194 694 N C 1.541 176.900 175.510 -0.252 0.000 1.044 694 N CA 2.888 55.811 53.050 -0.212 0.000 0.851 694 N CB -0.128 38.200 38.487 -0.263 0.000 1.036 694 N HN 0.520 nan 8.380 nan 0.000 0.422 695 G N -2.373 106.275 108.800 -0.254 0.000 2.425 695 G HA2 -0.202 3.756 3.960 -0.003 0.000 0.177 695 G HA3 -0.202 3.756 3.960 -0.003 0.000 0.177 695 G C 0.925 175.675 174.900 -0.249 0.000 0.999 695 G CA 0.381 45.335 45.100 -0.243 0.000 0.723 695 G HN 0.404 nan 8.290 nan 0.000 0.491 696 V N -0.073 119.613 119.914 -0.380 0.000 2.379 696 V HA 0.170 4.289 4.120 -0.003 0.000 0.245 696 V C 2.642 178.758 176.094 0.036 0.000 1.044 696 V CA 1.744 63.964 62.300 -0.133 0.000 1.036 696 V CB -0.865 30.832 31.823 -0.210 0.000 0.664 696 V HN 0.317 nan 8.190 nan 0.000 0.453 697 L N 0.114 121.319 121.223 -0.030 0.000 2.056 697 L HA -0.093 4.245 4.340 -0.003 0.000 0.207 697 L C 2.790 179.675 176.870 0.025 0.000 1.078 697 L CA 2.023 56.860 54.840 -0.005 0.000 0.749 697 L CB -0.603 41.435 42.059 -0.034 0.000 0.901 697 L HN 0.415 nan 8.230 nan 0.000 0.433 698 E N 0.854 121.076 120.200 0.036 0.000 2.153 698 E HA -0.153 4.196 4.350 -0.003 0.000 0.194 698 E C 1.920 178.573 176.600 0.087 0.000 0.988 698 E CA 1.321 57.765 56.400 0.073 0.000 0.811 698 E CB -0.210 29.565 29.700 0.126 0.000 0.746 698 E HN 0.319 nan 8.360 nan 0.000 0.466 699 G N -0.578 108.313 108.800 0.151 0.000 2.985 699 G HA2 0.044 4.003 3.960 -0.003 0.000 0.209 699 G HA3 0.044 4.003 3.960 -0.003 0.000 0.209 699 G C 1.347 176.295 174.900 0.080 0.000 1.165 699 G CA 0.163 45.383 45.100 0.199 0.000 0.776 699 G HN 0.265 nan 8.290 nan 0.000 0.541 700 I N -0.386 120.219 120.570 0.058 0.000 2.685 700 I HA 0.063 4.231 4.170 -0.003 0.000 0.251 700 I C 2.685 178.799 176.117 -0.005 0.000 1.102 700 I CA 0.180 61.497 61.300 0.028 0.000 1.442 700 I CB -0.134 37.887 38.000 0.036 0.000 1.194 700 I HN 0.088 nan 8.210 nan 0.000 0.448 701 R N 1.622 122.120 120.500 -0.003 0.000 2.105 701 R HA -0.196 4.142 4.340 -0.003 0.000 0.239 701 R C 2.213 178.477 176.300 -0.060 0.000 1.135 701 R CA 1.619 57.710 56.100 -0.014 0.000 0.967 701 R CB -0.163 30.139 30.300 0.004 0.000 0.861 701 R HN 0.201 nan 8.270 nan 0.000 0.442 702 I N 1.171 121.670 120.570 -0.119 0.000 2.142 702 I HA -0.293 3.875 4.170 -0.003 0.000 0.240 702 I C 2.445 178.376 176.117 -0.310 0.000 1.078 702 I CA 1.033 62.132 61.300 -0.336 0.000 1.343 702 I CB -1.268 36.450 38.000 -0.470 0.000 1.046 702 I HN 0.363 nan 8.210 nan 0.000 0.405 703 C N 0.181 119.373 119.300 -0.180 0.000 2.432 703 C HA -0.094 4.364 4.460 -0.003 0.000 0.282 703 C C 2.913 177.900 174.990 -0.005 0.000 1.388 703 C CA 0.340 59.316 59.018 -0.069 0.000 1.777 703 C CB -1.147 26.569 27.740 -0.039 0.000 1.882 703 C HN 0.391 nan 8.230 nan 0.000 0.520 704 R N 0.962 121.447 120.500 -0.025 0.000 2.096 704 R HA -0.110 4.229 4.340 -0.003 0.000 0.235 704 R C 2.147 178.414 176.300 -0.055 0.000 1.127 704 R CA 1.199 57.289 56.100 -0.017 0.000 0.968 704 R CB -0.119 30.172 30.300 -0.014 0.000 0.861 704 R HN 0.557 nan 8.270 nan 0.000 0.440 705 K N -0.662 119.710 120.400 -0.047 0.000 2.286 705 K HA -0.120 4.199 4.320 -0.003 0.000 0.203 705 K C 1.360 177.830 176.600 -0.216 0.000 1.045 705 K CA 1.127 57.364 56.287 -0.084 0.000 0.935 705 K CB -0.019 32.516 32.500 0.059 0.000 0.737 705 K HN 0.260 nan 8.250 nan 0.000 0.460 706 G N 0.213 108.931 108.800 -0.135 0.000 3.271 706 G HA2 0.407 4.365 3.960 -0.003 0.000 0.174 706 G HA3 0.407 4.365 3.960 -0.003 0.000 0.174 706 G C -0.838 173.701 174.900 -0.602 0.000 1.385 706 G CA -0.588 44.316 45.100 -0.327 0.000 0.979 706 G HN 0.063 nan 8.290 nan 0.000 0.610 707 F N 0.894 121.019 119.950 0.291 0.000 2.646 707 F HA 0.420 4.946 4.527 -0.003 0.000 0.364 707 F C -1.920 174.056 175.800 0.293 0.000 1.137 707 F CA -1.713 56.439 58.000 0.253 0.000 1.085 707 F CB 2.326 41.481 39.000 0.258 0.000 1.331 707 F HN 0.118 nan 8.300 nan 0.000 0.472 708 P HA -0.093 nan 4.420 nan 0.000 0.210 708 P C 0.138 177.498 177.300 0.100 0.000 1.191 708 P CA 1.122 64.317 63.100 0.157 0.000 0.917 708 P CB 0.078 31.841 31.700 0.105 0.000 0.778 709 S N 1.481 117.252 115.700 0.118 0.000 2.528 709 S HA 0.360 4.829 4.470 -0.003 0.000 0.277 709 S C 0.200 174.835 174.600 0.057 0.000 1.297 709 S CA -0.532 57.718 58.200 0.083 0.000 1.052 709 S CB 0.181 63.444 63.200 0.106 0.000 0.917 709 S HN 0.047 nan 8.310 nan 0.000 0.492 710 R N 2.036 122.494 120.500 -0.071 0.000 2.808 710 R HA 0.776 5.114 4.340 -0.003 0.000 0.272 710 R C -1.465 174.765 176.300 -0.117 0.000 0.995 710 R CA -0.999 54.949 56.100 -0.254 0.000 0.917 710 R CB 0.926 30.798 30.300 -0.712 0.000 1.217 710 R HN 0.616 nan 8.270 nan 0.000 0.471 711 L N 1.379 122.519 121.223 -0.138 0.000 2.465 711 L HA 0.560 4.898 4.340 -0.003 0.000 0.257 711 L C -0.277 176.509 176.870 -0.141 0.000 0.988 711 L CA -1.217 53.612 54.840 -0.017 0.000 0.827 711 L CB 2.670 44.862 42.059 0.221 0.000 1.397 711 L HN 0.620 nan 8.230 nan 0.000 0.410 712 I N -1.642 118.886 120.570 -0.070 0.000 2.365 712 I HA 0.239 4.407 4.170 -0.003 0.000 0.291 712 I C 0.656 176.772 176.117 -0.001 0.000 1.004 712 I CA -0.574 60.653 61.300 -0.122 0.000 1.311 712 I CB 0.604 38.584 38.000 -0.035 0.000 1.401 712 I HN 0.558 nan 8.210 nan 0.000 0.491 713 Y N 3.739 124.098 120.300 0.097 0.000 2.136 713 Y HA -0.355 4.194 4.550 -0.002 0.000 0.271 713 Y C 2.743 178.753 175.900 0.184 0.000 1.252 713 Y CA 2.167 60.355 58.100 0.145 0.000 1.117 713 Y CB -1.262 37.253 38.460 0.091 0.000 0.932 713 Y HN 0.745 nan 8.280 nan 0.000 0.512 714 S N -0.403 115.455 115.700 0.263 0.000 2.372 714 S HA -0.278 4.190 4.470 -0.003 0.000 0.227 714 S C 1.883 176.577 174.600 0.156 0.000 1.044 714 S CA 1.831 60.136 58.200 0.174 0.000 1.050 714 S CB -0.403 62.865 63.200 0.112 0.000 0.901 714 S HN 0.596 nan 8.310 nan 0.000 0.447 715 E N 0.032 120.327 120.200 0.159 0.000 2.046 715 E HA -0.040 4.308 4.350 -0.003 0.000 0.190 715 E C 1.796 178.511 176.600 0.192 0.000 0.982 715 E CA 0.700 57.179 56.400 0.131 0.000 0.800 715 E CB -0.248 29.524 29.700 0.120 0.000 0.756 715 E HN 0.419 nan 8.360 nan 0.000 0.449 716 F N 2.821 122.879 119.950 0.180 0.000 2.063 716 F HA -0.355 4.170 4.527 -0.003 0.000 0.298 716 F C 2.236 178.189 175.800 0.256 0.000 1.105 716 F CA 2.333 60.516 58.000 0.306 0.000 1.215 716 F CB -0.239 38.961 39.000 0.333 0.000 0.972 716 F HN -0.111 nan 8.300 nan 0.000 0.483 717 K N 0.215 120.757 120.400 0.236 0.000 2.002 717 K HA -0.315 4.004 4.320 -0.003 0.000 0.209 717 K C 2.105 178.679 176.600 -0.043 0.000 1.048 717 K CA 1.785 58.119 56.287 0.078 0.000 0.930 717 K CB -1.034 31.545 32.500 0.131 0.000 0.714 717 K HN 0.497 nan 8.250 nan 0.000 0.438 718 Q N 0.674 120.458 119.800 -0.026 0.000 2.181 718 Q HA -0.216 4.122 4.340 -0.003 0.000 0.205 718 Q C 2.191 178.079 176.000 -0.187 0.000 0.980 718 Q CA 1.757 57.511 55.803 -0.082 0.000 0.862 718 Q CB -0.060 28.645 28.738 -0.055 0.000 0.905 718 Q HN 0.339 nan 8.270 nan 0.000 0.429 719 R N -0.769 119.556 120.500 -0.291 0.000 2.100 719 R HA -0.006 4.333 4.340 -0.003 0.000 0.220 719 R C 0.247 176.041 176.300 -0.844 0.000 1.091 719 R CA 1.277 57.010 56.100 -0.612 0.000 0.986 719 R CB 0.104 29.894 30.300 -0.849 0.000 0.888 719 R HN 0.458 nan 8.270 nan 0.000 0.444 720 Y N -0.540 119.523 120.300 -0.395 0.000 2.713 720 Y HA 0.410 4.958 4.550 -0.003 0.000 0.269 720 Y C 1.296 177.018 175.900 -0.296 0.000 1.106 720 Y CA -0.341 57.512 58.100 -0.411 0.000 1.174 720 Y CB 0.773 38.819 38.460 -0.691 0.000 1.186 720 Y HN -0.051 nan 8.280 nan 0.000 0.555 721 S N 0.421 116.046 115.700 -0.125 0.000 2.414 721 S HA -0.052 4.417 4.470 -0.003 0.000 0.227 721 S C 1.619 176.189 174.600 -0.051 0.000 1.022 721 S CA 0.518 58.677 58.200 -0.067 0.000 0.958 721 S CB -0.044 63.120 63.200 -0.059 0.000 0.797 721 S HN 0.619 nan 8.310 nan 0.000 0.493 722 I N 1.528 122.057 120.570 -0.068 0.000 3.620 722 I HA 0.109 4.278 4.170 -0.003 0.000 0.305 722 I C 0.412 176.514 176.117 -0.024 0.000 1.243 722 I CA 0.563 61.834 61.300 -0.050 0.000 1.196 722 I CB -0.096 37.863 38.000 -0.067 0.000 1.004 722 I HN 0.254 nan 8.210 nan 0.000 0.487 723 L N 0.912 122.128 121.223 -0.011 0.000 2.731 723 L HA 0.391 4.729 4.340 -0.003 0.000 0.240 723 L C 0.698 177.570 176.870 0.004 0.000 1.120 723 L CA 0.217 55.061 54.840 0.006 0.000 0.913 723 L CB 0.431 42.506 42.059 0.026 0.000 1.213 723 L HN 0.312 nan 8.230 nan 0.000 0.515 724 A N -0.759 122.062 122.820 0.002 0.000 3.346 724 A HA 0.365 4.684 4.320 -0.003 0.000 0.222 724 A C -2.260 175.328 177.584 0.007 0.000 1.138 724 A CA -0.326 51.716 52.037 0.008 0.000 1.074 724 A CB -0.272 18.738 19.000 0.017 0.000 1.347 724 A HN -0.051 nan 8.150 nan 0.000 0.751 725 P HA -0.082 nan 4.420 nan 0.000 0.220 725 P C 0.865 178.167 177.300 0.003 0.000 1.148 725 P CA 1.029 64.128 63.100 -0.002 0.000 0.803 725 P CB 0.160 31.855 31.700 -0.008 0.000 0.782 726 N N -0.785 117.920 118.700 0.007 0.000 2.421 726 N HA 0.109 4.848 4.740 -0.003 0.000 0.201 726 N C 0.889 176.405 175.510 0.010 0.000 1.198 726 N CA 0.450 53.506 53.050 0.009 0.000 0.838 726 N CB 0.129 38.623 38.487 0.012 0.000 1.011 726 N HN 0.130 nan 8.380 nan 0.000 0.463 727 A N -0.236 122.591 122.820 0.011 0.000 2.551 727 A HA 0.257 4.575 4.320 -0.003 0.000 0.252 727 A C 0.274 177.866 177.584 0.014 0.000 1.199 727 A CA -0.150 51.895 52.037 0.014 0.000 0.972 727 A CB 0.694 19.705 19.000 0.018 0.000 1.153 727 A HN -0.000 nan 8.150 nan 0.000 0.559 728 I N 1.288 121.864 120.570 0.011 0.000 2.315 728 I HA 0.252 4.421 4.170 -0.003 0.000 0.291 728 I C -1.476 174.645 176.117 0.006 0.000 1.006 728 I CA -1.713 59.593 61.300 0.011 0.000 1.265 728 I CB 0.568 38.573 38.000 0.008 0.000 1.387 728 I HN -0.011 nan 8.210 nan 0.000 0.475 729 P HA -0.152 nan 4.420 nan 0.000 0.213 729 P C 0.350 177.651 177.300 0.002 0.000 1.170 729 P CA 0.850 63.952 63.100 0.004 0.000 0.902 729 P CB 0.236 31.938 31.700 0.003 0.000 0.789 735 G N 0.772 109.565 108.800 -0.013 0.000 4.167 735 G HA2 -0.013 3.945 3.960 -0.003 0.000 0.201 735 G HA3 -0.013 3.945 3.960 -0.003 0.000 0.201 735 G C 1.076 175.946 174.900 -0.050 0.000 1.186 735 G CA 0.883 46.005 45.100 0.037 0.000 0.979 735 G HN 0.367 nan 8.290 nan 0.000 0.460 736 K N 0.662 120.869 120.400 -0.322 0.000 2.211 736 K HA 0.122 4.440 4.320 -0.003 0.000 0.201 736 K C 2.264 178.603 176.600 -0.434 0.000 1.052 736 K CA 1.626 57.337 56.287 -0.960 0.000 0.973 736 K CB -0.106 31.730 32.500 -1.107 0.000 0.766 736 K HN 0.226 nan 8.250 nan 0.000 0.466 737 T N 1.103 115.530 114.554 -0.213 0.000 2.595 737 T HA -0.147 4.201 4.350 -0.003 0.000 0.264 737 T C 1.873 176.553 174.700 -0.033 0.000 1.058 737 T CA 1.840 63.880 62.100 -0.101 0.000 1.166 737 T CB -0.389 68.443 68.868 -0.060 0.000 0.863 737 T HN -0.005 nan 8.240 nan 0.000 0.415 738 V N 1.908 121.825 119.914 0.005 0.000 2.278 738 V HA -0.243 3.875 4.120 -0.003 0.000 0.251 738 V C 2.737 178.909 176.094 0.131 0.000 1.062 738 V CA 2.230 64.567 62.300 0.062 0.000 1.038 738 V CB -1.120 30.750 31.823 0.078 0.000 0.646 738 V HN 0.465 nan 8.190 nan 0.000 0.447 739 S N -0.465 115.344 115.700 0.183 0.000 2.356 739 S HA -0.234 4.234 4.470 -0.003 0.000 0.223 739 S C 1.890 176.600 174.600 0.182 0.000 1.032 739 S CA 1.707 60.119 58.200 0.353 0.000 1.005 739 S CB -0.387 63.035 63.200 0.369 0.000 0.867 739 S HN 0.727 nan 8.310 nan 0.000 0.449 740 E N 0.835 121.060 120.200 0.041 0.000 2.204 740 E HA -0.117 4.231 4.350 -0.003 0.000 0.195 740 E C 2.007 178.639 176.600 0.054 0.000 0.990 740 E CA 0.759 57.180 56.400 0.034 0.000 0.821 740 E CB -0.066 29.625 29.700 -0.014 0.000 0.750 740 E HN 0.402 nan 8.360 nan 0.000 0.477 741 K N 0.481 120.917 120.400 0.060 0.000 2.116 741 K HA -0.013 4.306 4.320 -0.003 0.000 0.203 741 K C 2.012 178.654 176.600 0.070 0.000 1.052 741 K CA 0.537 56.856 56.287 0.054 0.000 0.952 741 K CB 0.163 32.688 32.500 0.042 0.000 0.729 741 K HN 0.050 nan 8.250 nan 0.000 0.446 742 I N 0.784 121.427 120.570 0.121 0.000 2.233 742 I HA -0.272 3.897 4.170 -0.003 0.000 0.243 742 I C 2.041 178.216 176.117 0.097 0.000 1.093 742 I CA 1.047 62.422 61.300 0.125 0.000 1.380 742 I CB -0.210 37.910 38.000 0.200 0.000 1.067 742 I HN 0.121 nan 8.210 nan 0.000 0.413 743 L N 0.110 121.394 121.223 0.102 0.000 1.994 743 L HA -0.205 4.134 4.340 -0.003 0.000 0.208 743 L C 2.651 179.482 176.870 -0.064 0.000 1.071 743 L CA 1.708 56.507 54.840 -0.068 0.000 0.745 743 L CB -0.876 41.016 42.059 -0.278 0.000 0.892 743 L HN 0.222 nan 8.230 nan 0.000 0.431 744 T N -0.473 114.083 114.554 0.003 0.000 2.833 744 T HA -0.112 4.236 4.350 -0.003 0.000 0.269 744 T C 1.727 176.442 174.700 0.024 0.000 1.054 744 T CA 1.180 63.300 62.100 0.034 0.000 1.135 744 T CB -0.378 68.521 68.868 0.051 0.000 0.869 744 T HN 0.583 nan 8.240 nan 0.000 0.466 745 G N 1.097 109.911 108.800 0.023 0.000 2.408 745 G HA2 -0.065 3.894 3.960 -0.003 0.000 0.217 745 G HA3 -0.065 3.894 3.960 -0.003 0.000 0.217 745 G C 1.202 176.109 174.900 0.012 0.000 1.150 745 G CA 0.241 45.353 45.100 0.020 0.000 0.776 745 G HN 0.472 nan 8.290 nan 0.000 0.542 746 L N 1.214 122.438 121.223 0.002 0.000 2.627 746 L HA 0.092 4.431 4.340 -0.003 0.000 0.232 746 L C 1.381 178.248 176.870 -0.005 0.000 1.150 746 L CA 0.553 55.389 54.840 -0.007 0.000 0.917 746 L CB -0.398 41.646 42.059 -0.024 0.000 1.104 746 L HN 0.616 nan 8.230 nan 0.000 0.445 747 Q N -1.436 118.368 119.800 0.006 0.000 2.475 747 Q HA -0.255 4.084 4.340 -0.003 0.000 0.280 747 Q C -0.093 175.923 176.000 0.027 0.000 1.234 747 Q CA 0.506 56.322 55.803 0.022 0.000 0.873 747 Q CB -1.565 27.186 28.738 0.021 0.000 1.256 747 Q HN 0.351 nan 8.270 nan 0.000 0.475 748 M N 1.766 121.365 119.600 -0.000 0.000 2.248 748 M HA 0.049 4.528 4.480 -0.003 0.000 0.343 748 M C 0.486 176.873 176.300 0.145 0.000 1.243 748 M CA 0.832 56.129 55.300 -0.005 0.000 1.025 748 M CB 0.320 32.775 32.600 -0.241 0.000 1.759 748 M HN 0.304 nan 8.290 nan 0.000 0.452 749 D N 5.511 126.010 120.400 0.166 0.000 2.417 749 D HA 0.093 4.732 4.640 -0.003 0.000 0.250 749 D C -1.785 174.693 176.300 0.298 0.000 1.166 749 D CA -1.465 52.647 54.000 0.186 0.000 0.881 749 D CB 1.256 42.133 40.800 0.129 0.000 1.164 749 D HN 0.292 nan 8.370 nan 0.000 0.467 750 P HA -0.201 nan 4.420 nan 0.000 0.216 750 P C 1.331 178.547 177.300 -0.140 0.000 1.157 750 P CA 1.678 64.755 63.100 -0.038 0.000 0.880 750 P CB 0.166 31.835 31.700 -0.052 0.000 0.791 751 S N -0.526 115.177 115.700 0.004 0.000 2.345 751 S HA -0.194 4.275 4.470 -0.003 0.000 0.220 751 S C 1.897 176.600 174.600 0.173 0.000 1.031 751 S CA 1.167 59.401 58.200 0.056 0.000 0.996 751 S CB -1.398 61.843 63.200 0.068 0.000 0.882 751 S HN 0.053 nan 8.310 nan 0.000 0.445 752 E N 1.255 121.597 120.200 0.236 0.000 2.279 752 E HA -0.128 4.221 4.350 -0.003 0.000 0.205 752 E C 0.477 177.334 176.600 0.428 0.000 1.028 752 E CA 1.676 58.281 56.400 0.342 0.000 0.830 752 E CB -0.215 29.674 29.700 0.314 0.000 0.736 752 E HN 0.909 nan 8.360 nan 0.000 0.478 753 Y N -3.422 116.865 120.300 -0.022 0.000 2.715 753 Y HA 0.782 5.331 4.550 -0.003 0.000 0.331 753 Y C -0.624 174.911 175.900 -0.609 0.000 1.197 753 Y CA -1.588 56.331 58.100 -0.302 0.000 1.079 753 Y CB 1.037 39.422 38.460 -0.125 0.000 1.298 753 Y HN -0.402 nan 8.280 nan 0.000 0.477 754 R N 0.653 120.707 120.500 -0.744 0.000 2.680 754 R HA 0.544 4.882 4.340 -0.003 0.000 0.269 754 R C -2.062 174.021 176.300 -0.361 0.000 1.026 754 R CA -0.936 54.733 56.100 -0.717 0.000 0.889 754 R CB 2.232 31.991 30.300 -0.901 0.000 1.241 754 R HN 0.878 nan 8.270 nan 0.000 0.463 755 L N 1.406 122.482 121.223 -0.245 0.000 2.318 755 L HA 0.512 4.851 4.340 -0.003 0.000 0.277 755 L C 1.075 177.949 176.870 0.007 0.000 1.008 755 L CA -0.725 54.106 54.840 -0.016 0.000 0.846 755 L CB 1.770 43.867 42.059 0.065 0.000 1.220 755 L HN 0.697 nan 8.230 nan 0.000 0.423 756 G N 0.328 109.167 108.800 0.066 0.000 2.563 756 G HA2 0.279 4.238 3.960 -0.003 0.000 0.283 756 G HA3 0.279 4.238 3.960 -0.003 0.000 0.283 756 G C 0.938 175.946 174.900 0.179 0.000 1.309 756 G CA 0.286 45.416 45.100 0.050 0.000 1.022 756 G HN 0.601 nan 8.290 nan 0.000 0.501 757 T N -3.978 110.655 114.554 0.131 0.000 3.107 757 T HA 0.084 4.432 4.350 -0.003 0.000 0.249 757 T C 1.546 176.373 174.700 0.212 0.000 1.096 757 T CA 1.572 63.773 62.100 0.169 0.000 1.012 757 T CB -0.029 68.886 68.868 0.079 0.000 0.977 757 T HN 0.735 nan 8.240 nan 0.000 0.527 758 T N -1.845 112.790 114.554 0.136 0.000 3.051 758 T HA 0.324 4.673 4.350 -0.003 0.000 0.254 758 T C 0.282 174.869 174.700 -0.188 0.000 0.916 758 T CA -0.479 61.661 62.100 0.066 0.000 0.894 758 T CB 0.316 69.210 68.868 0.043 0.000 1.251 758 T HN 0.620 nan 8.240 nan 0.000 0.517 759 K N 0.314 120.515 120.400 -0.331 0.000 2.495 759 K HA 0.817 5.135 4.320 -0.003 0.000 0.268 759 K C -1.832 174.395 176.600 -0.621 0.000 1.008 759 K CA -1.047 54.895 56.287 -0.574 0.000 0.882 759 K CB 2.491 34.795 32.500 -0.326 0.000 1.443 759 K HN -0.002 nan 8.250 nan 0.000 0.447 760 V N 1.757 121.279 119.914 -0.652 0.000 2.459 760 V HA 0.529 4.647 4.120 -0.003 0.000 0.295 760 V C -1.615 174.113 176.094 -0.610 0.000 1.029 760 V CA -0.669 61.320 62.300 -0.518 0.000 0.874 760 V CB 0.622 32.059 31.823 -0.644 0.000 0.985 760 V HN 0.612 nan 8.190 nan 0.000 0.438 761 F N 7.231 126.773 119.950 -0.679 0.000 2.410 761 F HA 0.693 5.218 4.527 -0.002 0.000 0.349 761 F C -0.189 175.154 175.800 -0.763 0.000 1.117 761 F CA -0.652 57.027 58.000 -0.535 0.000 1.104 761 F CB 1.144 39.965 39.000 -0.298 0.000 1.122 761 F HN 0.351 nan 8.300 nan 0.000 0.483 762 F N 2.167 122.199 119.950 0.137 0.000 2.561 762 F HA 0.479 5.004 4.527 -0.003 0.000 0.321 762 F C 0.413 176.432 175.800 0.365 0.000 1.065 762 F CA -1.363 56.742 58.000 0.176 0.000 0.934 762 F CB 1.230 40.271 39.000 0.067 0.000 1.215 762 F HN 0.201 nan 8.300 nan 0.000 0.471 763 K N 0.850 121.622 120.400 0.620 0.000 2.132 763 K HA 0.539 4.858 4.320 -0.003 0.000 0.240 763 K C -0.290 176.462 176.600 0.253 0.000 1.036 763 K CA -0.338 56.200 56.287 0.418 0.000 0.888 763 K CB 0.748 33.442 32.500 0.323 0.000 1.071 763 K HN 0.740 nan 8.250 nan 0.000 0.502 764 A N -0.011 122.900 122.820 0.151 0.000 2.404 764 A HA 0.456 4.775 4.320 -0.003 0.000 0.273 764 A C 1.010 178.654 177.584 0.100 0.000 1.144 764 A CA 0.714 52.816 52.037 0.108 0.000 0.806 764 A CB -0.344 18.701 19.000 0.076 0.000 1.080 764 A HN 0.802 nan 8.150 nan 0.000 0.509 765 G N 1.378 110.223 108.800 0.076 0.000 2.213 765 G HA2 -0.260 3.699 3.960 -0.003 0.000 0.236 765 G HA3 -0.260 3.699 3.960 -0.003 0.000 0.236 765 G C 0.968 175.888 174.900 0.034 0.000 0.991 765 G CA 0.469 45.621 45.100 0.087 0.000 0.629 765 G HN 1.073 nan 8.290 nan 0.000 0.517 766 V N 0.915 120.841 119.914 0.019 0.000 2.220 766 V HA -0.134 3.984 4.120 -0.003 0.000 0.246 766 V C 2.684 178.668 176.094 -0.183 0.000 1.049 766 V CA 2.385 64.651 62.300 -0.057 0.000 1.003 766 V CB -0.683 31.121 31.823 -0.031 0.000 0.634 766 V HN 0.361 nan 8.190 nan 0.000 0.444 767 L N 0.886 121.958 121.223 -0.251 0.000 2.351 767 L HA -0.125 4.214 4.340 -0.003 0.000 0.220 767 L C 2.223 179.005 176.870 -0.147 0.000 1.127 767 L CA 1.881 56.561 54.840 -0.267 0.000 0.786 767 L CB -0.899 41.064 42.059 -0.161 0.000 0.914 767 L HN 0.379 nan 8.230 nan 0.000 0.443 768 G N -1.323 107.383 108.800 -0.158 0.000 2.394 768 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.215 768 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.215 768 G C 1.382 176.280 174.900 -0.004 0.000 1.165 768 G CA 0.816 45.816 45.100 -0.167 0.000 0.784 768 G HN 0.509 nan 8.290 nan 0.000 0.535 769 N N 0.325 119.023 118.700 -0.004 0.000 2.062 769 N HA -0.011 4.728 4.740 -0.003 0.000 0.191 769 N C 2.134 177.633 175.510 -0.017 0.000 1.042 769 N CA 0.658 53.713 53.050 0.009 0.000 0.845 769 N CB -0.252 38.230 38.487 -0.009 0.000 1.024 769 N HN 0.145 nan 8.380 nan 0.000 0.424 770 L N 1.280 122.444 121.223 -0.099 0.000 2.357 770 L HA -0.172 4.167 4.340 -0.003 0.000 0.220 770 L C 2.076 179.005 176.870 0.097 0.000 1.123 770 L CA 0.890 55.660 54.840 -0.117 0.000 0.782 770 L CB -0.321 41.456 42.059 -0.469 0.000 0.910 770 L HN 0.262 nan 8.230 nan 0.000 0.442 771 E N -0.060 120.198 120.200 0.098 0.000 2.122 771 E HA -0.120 4.229 4.350 -0.003 0.000 0.190 771 E C 2.019 178.679 176.600 0.099 0.000 0.977 771 E CA 0.735 57.217 56.400 0.137 0.000 0.820 771 E CB 0.127 29.892 29.700 0.108 0.000 0.770 771 E HN 0.527 nan 8.360 nan 0.000 0.462 772 E N 0.240 120.490 120.200 0.084 0.000 2.072 772 E HA -0.040 4.309 4.350 -0.003 0.000 0.190 772 E C 2.151 178.781 176.600 0.050 0.000 0.982 772 E CA 0.523 56.965 56.400 0.071 0.000 0.803 772 E CB -0.036 29.706 29.700 0.069 0.000 0.755 772 E HN 0.161 nan 8.360 nan 0.000 0.453 773 M N 0.260 119.886 119.600 0.044 0.000 2.144 773 M HA -0.230 4.248 4.480 -0.003 0.000 0.260 773 M C 2.415 178.738 176.300 0.038 0.000 1.067 773 M CA 1.401 56.719 55.300 0.032 0.000 1.095 773 M CB -0.225 32.387 32.600 0.019 0.000 1.365 773 M HN -0.020 nan 8.290 nan 0.000 0.406 774 R N -0.070 120.465 120.500 0.059 0.000 2.236 774 R HA -0.105 4.233 4.340 -0.003 0.000 0.208 774 R C 1.410 177.718 176.300 0.014 0.000 1.036 774 R CA 0.945 57.068 56.100 0.038 0.000 1.001 774 R CB 0.015 30.338 30.300 0.039 0.000 0.896 774 R HN 0.330 nan 8.270 nan 0.000 0.464 775 D N 0.826 121.241 120.400 0.026 0.000 2.137 775 D HA -0.114 4.525 4.640 -0.003 0.000 0.202 775 D C 1.438 177.745 176.300 0.011 0.000 0.970 775 D CA 1.084 55.094 54.000 0.018 0.000 0.837 775 D CB 0.223 41.042 40.800 0.032 0.000 0.981 775 D HN 0.424 nan 8.370 nan 0.000 0.475 776 E N 0.684 120.893 120.200 0.014 0.000 2.047 776 E HA -0.119 4.229 4.350 -0.003 0.000 0.191 776 E C 2.107 178.712 176.600 0.008 0.000 0.987 776 E CA 0.476 56.882 56.400 0.010 0.000 0.799 776 E CB -0.052 29.655 29.700 0.011 0.000 0.752 776 E HN 0.041 nan 8.360 nan 0.000 0.449 777 R N 0.750 121.255 120.500 0.008 0.000 2.120 777 R HA -0.063 4.276 4.340 -0.003 0.000 0.234 777 R C 2.358 178.657 176.300 -0.002 0.000 1.123 777 R CA 0.570 56.673 56.100 0.005 0.000 0.975 777 R CB -0.769 29.534 30.300 0.005 0.000 0.866 777 R HN 0.215 nan 8.270 nan 0.000 0.446 778 L N 0.433 121.651 121.223 -0.009 0.000 2.072 778 L HA -0.001 4.337 4.340 -0.003 0.000 0.205 778 L C 2.303 179.169 176.870 -0.007 0.000 1.079 778 L CA 1.567 56.395 54.840 -0.019 0.000 0.752 778 L CB -0.739 41.301 42.059 -0.031 0.000 0.906 778 L HN 0.034 nan 8.230 nan 0.000 0.436 779 S N -0.495 115.205 115.700 -0.000 0.000 2.359 779 S HA -0.260 4.208 4.470 -0.003 0.000 0.222 779 S C 2.089 176.699 174.600 0.016 0.000 1.038 779 S CA 1.907 60.111 58.200 0.007 0.000 1.051 779 S CB -0.180 63.024 63.200 0.007 0.000 0.944 779 S HN 0.498 nan 8.310 nan 0.000 0.433 780 K N 0.473 120.883 120.400 0.017 0.000 2.026 780 K HA 0.002 4.321 4.320 -0.003 0.000 0.208 780 K C 2.127 178.751 176.600 0.040 0.000 1.048 780 K CA 1.520 57.823 56.287 0.027 0.000 0.929 780 K CB -0.377 32.137 32.500 0.023 0.000 0.713 780 K HN 0.409 nan 8.250 nan 0.000 0.439 781 I N 1.232 121.822 120.570 0.033 0.000 2.151 781 I HA -0.350 3.818 4.170 -0.003 0.000 0.243 781 I C 2.368 178.528 176.117 0.071 0.000 1.080 781 I CA 1.549 62.876 61.300 0.045 0.000 1.339 781 I CB -0.438 37.570 38.000 0.013 0.000 1.039 781 I HN 0.188 nan 8.210 nan 0.000 0.409 782 I N 0.256 120.854 120.570 0.047 0.000 2.099 782 I HA -0.311 3.857 4.170 -0.003 0.000 0.239 782 I C 2.710 178.895 176.117 0.113 0.000 1.066 782 I CA 1.489 62.831 61.300 0.069 0.000 1.324 782 I CB -0.358 37.661 38.000 0.031 0.000 1.037 782 I HN 0.168 nan 8.210 nan 0.000 0.401 783 S N 0.552 116.296 115.700 0.074 0.000 2.380 783 S HA -0.268 4.201 4.470 -0.003 0.000 0.229 783 S C 1.990 176.643 174.600 0.089 0.000 1.043 783 S CA 1.712 59.953 58.200 0.068 0.000 1.038 783 S CB -0.348 62.878 63.200 0.043 0.000 0.872 783 S HN 0.358 nan 8.310 nan 0.000 0.456 784 M N -0.482 119.181 119.600 0.105 0.000 2.159 784 M HA -0.087 4.392 4.480 -0.003 0.000 0.263 784 M C 1.962 178.377 176.300 0.193 0.000 1.063 784 M CA 1.420 56.794 55.300 0.124 0.000 1.110 784 M CB -0.387 32.284 32.600 0.119 0.000 1.374 784 M HN 0.322 nan 8.290 nan 0.000 0.411 785 F N 1.186 121.170 119.950 0.056 0.000 2.325 785 F HA -0.162 4.364 4.527 -0.002 0.000 0.299 785 F C 2.294 178.132 175.800 0.063 0.000 1.090 785 F CA 1.465 59.499 58.000 0.057 0.000 1.392 785 F CB -0.137 38.866 39.000 0.005 0.000 1.053 785 F HN 0.142 nan 8.300 nan 0.000 0.521 786 Q N -0.285 119.595 119.800 0.133 0.000 2.119 786 Q HA -0.103 4.235 4.340 -0.003 0.000 0.201 786 Q C 2.421 178.410 176.000 -0.019 0.000 0.972 786 Q CA 1.242 57.066 55.803 0.035 0.000 0.847 786 Q CB -0.396 28.381 28.738 0.065 0.000 0.903 786 Q HN 0.479 nan 8.270 nan 0.000 0.433 787 A N -0.020 122.806 122.820 0.011 0.000 2.014 787 A HA -0.188 4.130 4.320 -0.003 0.000 0.218 787 A C 1.558 179.119 177.584 -0.038 0.000 1.163 787 A CA 1.357 53.388 52.037 -0.010 0.000 0.652 787 A CB -0.512 18.488 19.000 0.000 0.000 0.808 787 A HN 0.373 nan 8.150 nan 0.000 0.449 788 H N -0.600 118.390 119.070 -0.134 0.000 2.428 788 H HA 0.100 4.655 4.556 -0.002 0.000 0.296 788 H C 1.817 177.038 175.328 -0.179 0.000 1.062 788 H CA 1.567 57.518 56.048 -0.161 0.000 1.350 788 H CB -0.005 29.611 29.762 -0.245 0.000 1.403 788 H HN 0.467 nan 8.280 nan 0.000 0.533 789 I N -0.237 120.253 120.570 -0.134 0.000 2.286 789 I HA -0.200 3.969 4.170 -0.003 0.000 0.245 789 I C 2.314 178.407 176.117 -0.040 0.000 1.104 789 I CA 0.919 62.120 61.300 -0.165 0.000 1.397 789 I CB -0.231 37.620 38.000 -0.249 0.000 1.072 789 I HN 0.202 nan 8.210 nan 0.000 0.417 790 R N 0.916 121.396 120.500 -0.032 0.000 2.081 790 R HA -0.119 4.220 4.340 -0.003 0.000 0.235 790 R C 2.433 178.745 176.300 0.021 0.000 1.131 790 R CA 1.573 57.670 56.100 -0.004 0.000 0.960 790 R CB -0.670 29.623 30.300 -0.011 0.000 0.856 790 R HN 0.459 nan 8.270 nan 0.000 0.436 791 G N 0.017 108.819 108.800 0.004 0.000 2.402 791 G HA2 -0.318 3.640 3.960 -0.003 0.000 0.216 791 G HA3 -0.318 3.640 3.960 -0.003 0.000 0.216 791 G C 1.227 176.166 174.900 0.065 0.000 1.162 791 G CA 0.478 45.576 45.100 -0.003 0.000 0.777 791 G HN 0.338 nan 8.290 nan 0.000 0.539 792 Y N 1.312 121.586 120.300 -0.044 0.000 2.256 792 Y HA -0.038 4.511 4.550 -0.002 0.000 0.288 792 Y C 2.451 178.340 175.900 -0.018 0.000 1.155 792 Y CA 1.026 59.111 58.100 -0.024 0.000 1.203 792 Y CB -0.242 38.205 38.460 -0.022 0.000 0.980 792 Y HN 0.122 nan 8.280 nan 0.000 0.530 793 L N -0.673 120.739 121.223 0.315 0.000 2.027 793 L HA -0.216 4.122 4.340 -0.003 0.000 0.206 793 L C 2.420 179.365 176.870 0.126 0.000 1.074 793 L CA 1.535 56.507 54.840 0.218 0.000 0.745 793 L CB -0.551 41.570 42.059 0.104 0.000 0.898 793 L HN 0.200 nan 8.230 nan 0.000 0.433 794 I N -0.621 120.000 120.570 0.085 0.000 2.493 794 I HA -0.233 3.935 4.170 -0.003 0.000 0.254 794 I C 2.613 178.775 176.117 0.075 0.000 1.160 794 I CA 0.882 62.225 61.300 0.072 0.000 1.445 794 I CB -0.186 37.846 38.000 0.053 0.000 1.086 794 I HN 0.178 nan 8.210 nan 0.000 0.433 795 R N 0.809 121.317 120.500 0.014 0.000 2.115 795 R HA -0.160 4.179 4.340 -0.003 0.000 0.226 795 R C 2.214 178.500 176.300 -0.023 0.000 1.100 795 R CA 1.061 57.130 56.100 -0.052 0.000 0.980 795 R CB -0.102 30.112 30.300 -0.143 0.000 0.875 795 R HN 0.066 nan 8.270 nan 0.000 0.445 796 K N 0.333 120.713 120.400 -0.034 0.000 2.031 796 K HA 0.025 4.344 4.320 -0.003 0.000 0.205 796 K C 1.759 178.389 176.600 0.050 0.000 1.049 796 K CA 1.661 57.935 56.287 -0.022 0.000 0.939 796 K CB -0.335 32.177 32.500 0.020 0.000 0.717 796 K HN 0.113 nan 8.250 nan 0.000 0.438 797 A N -0.316 122.547 122.820 0.073 0.000 1.972 797 A HA -0.160 4.159 4.320 -0.003 0.000 0.219 797 A C 2.021 179.651 177.584 0.075 0.000 1.169 797 A CA 1.466 53.541 52.037 0.063 0.000 0.635 797 A CB -1.046 17.987 19.000 0.056 0.000 0.810 797 A HN 0.540 nan 8.150 nan 0.000 0.446 798 Y N 0.714 121.001 120.300 -0.023 0.000 2.172 798 Y HA -0.340 4.208 4.550 -0.003 0.000 0.280 798 Y C 2.356 178.242 175.900 -0.024 0.000 1.209 798 Y CA 2.504 60.589 58.100 -0.025 0.000 1.171 798 Y CB -0.025 38.414 38.460 -0.035 0.000 0.965 798 Y HN 0.317 nan 8.280 nan 0.000 0.520 799 K N 0.239 120.672 120.400 0.055 0.000 2.116 799 K HA -0.186 4.133 4.320 -0.003 0.000 0.203 799 K C 2.203 178.757 176.600 -0.077 0.000 1.052 799 K CA 1.393 57.670 56.287 -0.016 0.000 0.952 799 K CB -0.150 32.370 32.500 0.034 0.000 0.729 799 K HN 0.293 nan 8.250 nan 0.000 0.446 800 K N 0.485 120.853 120.400 -0.053 0.000 2.057 800 K HA -0.107 4.211 4.320 -0.003 0.000 0.206 800 K C 2.164 178.710 176.600 -0.090 0.000 1.050 800 K CA 0.864 57.119 56.287 -0.054 0.000 0.935 800 K CB -0.042 32.441 32.500 -0.028 0.000 0.715 800 K HN -0.016 nan 8.250 nan 0.000 0.439 801 L N 1.428 122.575 121.223 -0.126 0.000 2.079 801 L HA -0.216 4.122 4.340 -0.003 0.000 0.210 801 L C 2.345 179.098 176.870 -0.195 0.000 1.081 801 L CA 1.683 56.429 54.840 -0.157 0.000 0.752 801 L CB -0.400 41.543 42.059 -0.192 0.000 0.896 801 L HN 0.264 nan 8.230 nan 0.000 0.433 802 Q N -0.952 118.687 119.800 -0.268 0.000 2.050 802 Q HA -0.204 4.134 4.340 -0.003 0.000 0.202 802 Q C 1.862 177.785 176.000 -0.129 0.000 0.980 802 Q CA 1.698 57.363 55.803 -0.230 0.000 0.840 802 Q CB -0.083 28.503 28.738 -0.252 0.000 0.898 802 Q HN 0.544 nan 8.270 nan 0.000 0.424 803 D N 0.366 120.705 120.400 -0.101 0.000 2.084 803 D HA -0.156 4.483 4.640 -0.003 0.000 0.196 803 D C 1.842 178.105 176.300 -0.062 0.000 0.985 803 D CA 1.037 54.997 54.000 -0.067 0.000 0.826 803 D CB -0.160 40.609 40.800 -0.051 0.000 0.978 803 D HN 0.298 nan 8.370 nan 0.000 0.456 804 Q N 0.385 120.147 119.800 -0.064 0.000 2.308 804 Q HA -0.197 4.142 4.340 -0.003 0.000 0.209 804 Q C 2.165 178.132 176.000 -0.055 0.000 0.985 804 Q CA 0.856 56.626 55.803 -0.054 0.000 0.881 804 Q CB -0.081 28.626 28.738 -0.052 0.000 0.917 804 Q HN 0.235 nan 8.270 nan 0.000 0.443 805 R N 1.024 121.484 120.500 -0.066 0.000 2.073 805 R HA -0.099 4.240 4.340 -0.003 0.000 0.229 805 R C 2.098 178.369 176.300 -0.049 0.000 1.120 805 R CA 1.066 57.131 56.100 -0.059 0.000 0.967 805 R CB -0.129 30.128 30.300 -0.072 0.000 0.862 805 R HN 0.257 nan 8.270 nan 0.000 0.436 806 I N -0.025 120.516 120.570 -0.049 0.000 2.394 806 I HA -0.043 4.126 4.170 -0.003 0.000 0.251 806 I C 2.396 178.490 176.117 -0.037 0.000 1.136 806 I CA 1.262 62.538 61.300 -0.041 0.000 1.425 806 I CB -0.654 37.323 38.000 -0.039 0.000 1.079 806 I HN 0.288 nan 8.210 nan 0.000 0.425 807 G N 1.663 110.440 108.800 -0.039 0.000 2.394 807 G HA2 -0.178 3.780 3.960 -0.003 0.000 0.215 807 G HA3 -0.178 3.780 3.960 -0.003 0.000 0.215 807 G C 1.659 176.538 174.900 -0.035 0.000 1.165 807 G CA 0.456 45.535 45.100 -0.036 0.000 0.784 807 G HN 0.308 nan 8.290 nan 0.000 0.535 808 L N 0.563 121.765 121.223 -0.035 0.000 2.179 808 L HA 0.213 4.552 4.340 -0.003 0.000 0.208 808 L C 2.776 179.628 176.870 -0.030 0.000 1.096 808 L CA 1.715 56.535 54.840 -0.032 0.000 0.779 808 L CB -0.429 41.612 42.059 -0.031 0.000 0.922 808 L HN 0.130 nan 8.230 nan 0.000 0.443 809 S N -1.015 114.666 115.700 -0.032 0.000 2.353 809 S HA -0.185 4.283 4.470 -0.003 0.000 0.222 809 S C 1.916 176.499 174.600 -0.030 0.000 1.035 809 S CA 1.571 59.753 58.200 -0.030 0.000 1.025 809 S CB -0.377 62.804 63.200 -0.032 0.000 0.902 809 S HN 0.334 nan 8.310 nan 0.000 0.440 810 V N 2.327 122.222 119.914 -0.032 0.000 2.219 810 V HA -0.252 3.867 4.120 -0.003 0.000 0.248 810 V C 2.089 178.163 176.094 -0.033 0.000 1.053 810 V CA 2.156 64.436 62.300 -0.033 0.000 1.009 810 V CB -0.720 31.082 31.823 -0.034 0.000 0.636 810 V HN 0.473 nan 8.190 nan 0.000 0.445 811 I N -0.592 119.957 120.570 -0.035 0.000 2.113 811 I HA -0.416 3.752 4.170 -0.003 0.000 0.242 811 I C 2.687 178.789 176.117 -0.025 0.000 1.064 811 I CA 2.095 63.373 61.300 -0.037 0.000 1.320 811 I CB -0.567 37.410 38.000 -0.038 0.000 1.028 811 I HN 0.414 nan 8.210 nan 0.000 0.406 812 Q N 0.007 119.795 119.800 -0.020 0.000 2.061 812 Q HA -0.245 4.094 4.340 -0.003 0.000 0.204 812 Q C 2.407 178.402 176.000 -0.009 0.000 0.984 812 Q CA 1.529 57.325 55.803 -0.010 0.000 0.846 812 Q CB -0.235 28.495 28.738 -0.013 0.000 0.902 812 Q HN 0.381 nan 8.270 nan 0.000 0.421 813 R N 0.574 121.063 120.500 -0.018 0.000 2.097 813 R HA -0.170 4.169 4.340 -0.003 0.000 0.236 813 R C 1.899 178.189 176.300 -0.018 0.000 1.135 813 R CA 1.714 57.800 56.100 -0.023 0.000 0.934 813 R CB -0.166 30.116 30.300 -0.030 0.000 0.846 813 R HN 0.355 nan 8.270 nan 0.000 0.431 814 N N 0.366 119.055 118.700 -0.018 0.000 2.142 814 N HA -0.144 4.595 4.740 -0.003 0.000 0.186 814 N C 1.995 177.524 175.510 0.032 0.000 1.023 814 N CA 1.394 54.437 53.050 -0.012 0.000 0.852 814 N CB -0.116 38.350 38.487 -0.035 0.000 0.998 814 N HN 0.291 nan 8.380 nan 0.000 0.424 815 I N 1.272 121.863 120.570 0.035 0.000 2.361 815 I HA -0.193 3.976 4.170 -0.003 0.000 0.251 815 I C 2.315 178.563 176.117 0.218 0.000 1.133 815 I CA 0.818 62.191 61.300 0.122 0.000 1.413 815 I CB -0.079 37.963 38.000 0.069 0.000 1.073 815 I HN 0.078 nan 8.210 nan 0.000 0.424 816 R N 0.301 120.859 120.500 0.097 0.000 2.115 816 R HA -0.098 4.241 4.340 -0.003 0.000 0.226 816 R C 2.245 178.559 176.300 0.023 0.000 1.100 816 R CA 0.697 56.829 56.100 0.054 0.000 0.980 816 R CB -0.056 30.248 30.300 0.007 0.000 0.875 816 R HN 0.223 nan 8.270 nan 0.000 0.445 817 K N 0.282 120.696 120.400 0.023 0.000 1.973 817 K HA -0.179 4.139 4.320 -0.003 0.000 0.210 817 K C 1.659 178.254 176.600 -0.008 0.000 1.045 817 K CA 1.196 57.461 56.287 -0.037 0.000 0.937 817 K CB -0.676 31.789 32.500 -0.059 0.000 0.721 817 K HN 0.268 nan 8.250 nan 0.000 0.438 818 W N 1.874 123.088 121.300 -0.143 0.000 2.389 818 W HA -0.182 4.476 4.660 -0.002 0.000 0.267 818 W C 1.514 177.984 176.519 -0.083 0.000 1.219 818 W CA 1.071 58.337 57.345 -0.130 0.000 1.189 818 W CB -0.191 29.214 29.460 -0.092 0.000 1.129 818 W HN 0.087 nan 8.180 nan 0.000 0.581 819 L N -0.548 120.611 121.223 -0.106 0.000 2.375 819 L HA -0.036 4.302 4.340 -0.003 0.000 0.215 819 L C 1.926 178.658 176.870 -0.230 0.000 1.108 819 L CA 0.379 55.031 54.840 -0.313 0.000 0.830 819 L CB -0.202 41.810 42.059 -0.078 0.000 0.959 819 L HN -0.070 nan 8.230 nan 0.000 0.457 820 V N -0.737 119.079 119.914 -0.164 0.000 2.423 820 V HA -0.181 3.938 4.120 -0.003 0.000 0.233 820 V C 2.174 178.186 176.094 -0.138 0.000 1.067 820 V CA 0.910 63.123 62.300 -0.146 0.000 1.073 820 V CB -0.263 31.461 31.823 -0.165 0.000 0.715 820 V HN 0.202 nan 8.190 nan 0.000 0.485 821 L N 0.140 121.250 121.223 -0.188 0.000 2.058 821 L HA -0.336 4.003 4.340 -0.003 0.000 0.226 821 L C 2.528 179.383 176.870 -0.024 0.000 1.089 821 L CA 2.041 56.765 54.840 -0.193 0.000 0.799 821 L CB -0.539 41.231 42.059 -0.482 0.000 0.900 821 L HN 0.337 nan 8.230 nan 0.000 0.442 822 R N -0.302 120.114 120.500 -0.140 0.000 2.366 822 R HA -0.061 4.278 4.340 -0.003 0.000 0.201 822 R C 0.746 177.040 176.300 -0.011 0.000 1.057 822 R CA 0.233 56.291 56.100 -0.071 0.000 1.086 822 R CB -0.164 29.959 30.300 -0.294 0.000 0.914 822 R HN 0.484 nan 8.270 nan 0.000 0.476 823 N N -1.274 117.456 118.700 0.049 0.000 2.113 823 N HA -0.045 4.693 4.740 -0.003 0.000 0.223 823 N C -0.897 174.750 175.510 0.227 0.000 1.310 823 N CA -0.117 52.982 53.050 0.081 0.000 0.896 823 N CB 0.437 38.927 38.487 0.005 0.000 1.097 823 N HN 0.110 nan 8.380 nan 0.000 0.507 824 W N 4.421 125.763 121.300 0.071 0.000 2.605 824 W HA 0.169 4.827 4.660 -0.002 0.000 0.327 824 W C 1.300 177.940 176.519 0.202 0.000 1.332 824 W CA -0.244 57.186 57.345 0.142 0.000 1.403 824 W CB 0.414 29.988 29.460 0.190 0.000 1.452 824 W HN 0.015 nan 8.180 nan 0.000 0.503 825 Q N 3.211 123.140 119.800 0.215 0.000 2.290 825 Q HA -0.284 4.055 4.340 -0.003 0.000 0.211 825 Q C 1.804 177.770 176.000 -0.058 0.000 0.991 825 Q CA 2.019 57.842 55.803 0.033 0.000 0.893 825 Q CB -0.537 28.178 28.738 -0.038 0.000 0.913 825 Q HN 0.822 nan 8.270 nan 0.000 0.428 826 W N -0.838 120.146 121.300 -0.527 0.000 2.376 826 W HA -0.245 4.414 4.660 -0.003 0.000 0.324 826 W C 2.089 178.456 176.519 -0.253 0.000 1.191 826 W CA 0.322 57.273 57.345 -0.655 0.000 1.282 826 W CB -0.697 27.789 29.460 -1.623 0.000 1.185 826 W HN 0.190 nan 8.180 nan 0.000 0.458 827 W N 1.213 122.519 121.300 0.010 0.000 2.304 827 W HA -0.294 4.365 4.660 -0.002 0.000 0.315 827 W C 2.551 179.185 176.519 0.192 0.000 1.233 827 W CA 2.078 59.522 57.345 0.165 0.000 1.261 827 W CB -0.626 29.002 29.460 0.280 0.000 1.150 827 W HN -0.261 nan 8.180 nan 0.000 0.494 828 K N 0.128 120.763 120.400 0.392 0.000 2.211 828 K HA -0.175 4.143 4.320 -0.003 0.000 0.204 828 K C 1.658 178.344 176.600 0.143 0.000 1.047 828 K CA 1.479 57.916 56.287 0.250 0.000 0.935 828 K CB -0.519 32.090 32.500 0.181 0.000 0.728 828 K HN 0.314 nan 8.250 nan 0.000 0.452 829 L N -1.257 120.042 121.223 0.127 0.000 2.357 829 L HA -0.031 4.307 4.340 -0.003 0.000 0.211 829 L C 2.288 179.193 176.870 0.059 0.000 1.075 829 L CA 0.192 55.074 54.840 0.070 0.000 0.830 829 L CB -0.535 41.550 42.059 0.042 0.000 0.996 829 L HN 0.050 nan 8.230 nan 0.000 0.467 830 Y N 1.956 122.216 120.300 -0.065 0.000 2.128 830 Y HA -0.249 4.299 4.550 -0.003 0.000 0.284 830 Y C 2.309 178.047 175.900 -0.271 0.000 1.154 830 Y CA 1.513 59.495 58.100 -0.197 0.000 1.149 830 Y CB -0.172 38.034 38.460 -0.423 0.000 0.976 830 Y HN 0.077 nan 8.280 nan 0.000 0.505 831 A N -0.133 122.578 122.820 -0.181 0.000 2.258 831 A HA -0.006 4.313 4.320 -0.003 0.000 0.206 831 A C 1.763 179.243 177.584 -0.173 0.000 1.222 831 A CA 0.663 52.555 52.037 -0.242 0.000 0.822 831 A CB -0.677 18.226 19.000 -0.162 0.000 0.804 831 A HN 0.517 nan 8.150 nan 0.000 0.483 832 K N -0.981 119.322 120.400 -0.162 0.000 2.399 832 K HA 0.321 4.640 4.320 -0.003 0.000 0.204 832 K C 0.383 176.897 176.600 -0.142 0.000 1.023 832 K CA 0.016 56.240 56.287 -0.106 0.000 1.127 832 K CB 0.537 33.006 32.500 -0.053 0.000 0.856 832 K HN 0.236 nan 8.250 nan 0.000 0.514 833 V N 0.533 120.302 119.914 -0.242 0.000 3.477 833 V HA 0.072 4.190 4.120 -0.003 0.000 0.297 833 V C 0.811 176.758 176.094 -0.244 0.000 1.433 833 V CA 0.344 62.501 62.300 -0.237 0.000 1.052 833 V CB 0.391 32.039 31.823 -0.291 0.000 0.895 833 V HN 0.122 nan 8.190 nan 0.000 0.438 834 K N 0.437 120.684 120.400 -0.256 0.000 2.358 834 K HA 0.204 4.523 4.320 -0.003 0.000 0.197 834 K C -1.444 175.089 176.600 -0.111 0.000 1.025 834 K CA -0.367 55.804 56.287 -0.193 0.000 1.104 834 K CB -0.064 32.304 32.500 -0.220 0.000 0.855 834 K HN 0.377 nan 8.250 nan 0.000 0.531 835 P HA 0.046 nan 4.420 nan 0.000 0.258 835 P C 0.030 177.300 177.300 -0.048 0.000 1.403 835 P CA 0.340 63.406 63.100 -0.057 0.000 0.826 835 P CB -0.037 31.634 31.700 -0.050 0.000 1.414 836 L N 0.000 121.189 121.223 -0.057 0.000 2.949 836 L HA 0.000 4.338 4.340 -0.003 0.000 0.249 836 L CA 0.000 54.813 54.840 -0.045 0.000 0.813 836 L CB 0.000 42.028 42.059 -0.051 0.000 0.961 836 L HN 0.000 nan 8.230 nan 0.000 0.502