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 1qvi_1_A DATA FIRST_RESID 6 DATA SEQUENCE SDPDFQYLAV DRKKLMKEQT AAFDGKKNCW VPDEKEGFAS AEIQSSKGDE DATA SEQUENCE ITVKIVADSS TRTVKKDDIQ SMNPPKFEKL EDMANMTYLN EASVLYNLRS DATA SEQUENCE RYTSGLIYTY SGLFCIAVNP YRRLPIYTDS VIAKYRGKRK TEIPPHLFSV DATA SEQUENCE ADNAYQNMVT DRENQSCLIT GESGAGKTEN TKKVIMYLAK VACAVXXXXX DATA SEQUENCE XXXXXKEGSL EDQIIQANPV LEAYGNAKTT RNNNSSRFGK FIRIHFGPTG DATA SEQUENCE KIAGADIETY LLEKSRVTYQ QSAERNYHIF YQICSNAIPE LNDVMLVTPD DATA SEQUENCE SGLYSFINQG CLTVDNIDDV EEFKLCDEAF DILGFTKEEK QSMFKCTASI DATA SEQUENCE LHMGEMKFKQ RPREEQAESD GTAEAEKVAF LCGINAGDLL KALLKPKVKV DATA SEQUENCE GTEMVTKGQN MNQVVNSVGA LAKSLYDRMF NWLVRRVNKT LDTKAKRNYY DATA SEQUENCE IGVLDIAGFE IFDFNSFEQL CINYTNERLQ QFFNHHMFIL EQEEYKKEGI DATA SEQUENCE AWEFIDFGMD LQMCIDLIEK PMGILSILEE ECMFPKADDK SFQDKLYQNH DATA SEQUENCE MGKNRMFTKP GKPTRPNQGP AHFELHHYAG NVPYSITGWL EKNKDPINEN DATA SEQUENCE VVALLGASKE PLVAELFKAP EEXXXXXXXX XXXXXXFQTI SAVHRESLNK DATA SEQUENCE LMKNLYSTHP HFVRCIIPNE LKQPGLVDAE LVLHQLQCNG VLEGIRICRK DATA SEQUENCE GFPSRLIYSE FKQRYSILAP NAIPXXFVDG KTVSEKILAG LQMDPAEYRL DATA SEQUENCE GTTKVFFKAG VLGNLEEMRD ERLSKIISMF QAHIRGYLIR KAYKKLQDQR DATA SEQUENCE IGLSVIQRNI RKWLVLRNWQ WWKLYSKVKP LL 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 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.606 174.600 0.010 0.000 1.055 6 S CA 0.000 58.204 58.200 0.007 0.000 1.107 6 S CB 0.000 63.216 63.200 0.026 0.000 0.593 7 D N 1.582 122.049 120.400 0.111 0.000 2.170 7 D HA -0.112 4.528 4.640 0.001 0.000 0.193 7 D C -1.102 175.267 176.300 0.115 0.000 1.004 7 D CA 1.986 56.108 54.000 0.203 0.000 0.860 7 D CB -1.568 39.325 40.800 0.156 0.000 0.931 7 D HN 0.184 nan 8.370 nan 0.000 0.448 8 P HA -0.158 nan 4.420 nan 0.000 0.219 8 P C 0.899 178.203 177.300 0.007 0.000 1.153 8 P CA 1.354 64.472 63.100 0.030 0.000 0.865 8 P CB -0.027 31.680 31.700 0.013 0.000 0.788 9 D N -2.311 118.019 120.400 -0.116 0.000 2.348 9 D HA -0.046 4.595 4.640 0.001 0.000 0.216 9 D C 0.812 177.025 176.300 -0.145 0.000 0.970 9 D CA 0.813 54.705 54.000 -0.180 0.000 0.889 9 D CB -0.310 40.288 40.800 -0.337 0.000 0.912 9 D HN 0.245 nan 8.370 nan 0.000 0.524 10 F N 0.923 120.938 119.950 0.108 0.000 2.660 10 F HA 0.140 4.668 4.527 0.001 0.000 0.297 10 F C 2.026 177.882 175.800 0.094 0.000 1.132 10 F CA -0.434 57.634 58.000 0.113 0.000 1.372 10 F CB -0.173 38.874 39.000 0.079 0.000 1.003 10 F HN -0.217 nan 8.300 nan 0.000 0.524 11 Q N 0.446 120.390 119.800 0.240 0.000 1.985 11 Q HA -0.230 4.110 4.340 0.001 0.000 0.207 11 Q C 0.813 176.863 176.000 0.084 0.000 0.996 11 Q CA 2.167 58.066 55.803 0.161 0.000 0.851 11 Q CB -0.433 28.459 28.738 0.257 0.000 0.921 11 Q HN 0.470 nan 8.270 nan 0.000 0.418 12 Y N -0.799 119.543 120.300 0.070 0.000 2.746 12 Y HA 0.214 4.764 4.550 0.001 0.000 0.312 12 Y C 0.323 176.255 175.900 0.054 0.000 1.117 12 Y CA -0.300 57.818 58.100 0.031 0.000 1.324 12 Y CB 0.679 39.131 38.460 -0.014 0.000 1.173 12 Y HN 0.164 nan 8.280 nan 0.000 0.529 13 L N -1.330 120.040 121.223 0.245 0.000 2.713 13 L HA 0.472 4.813 4.340 0.001 0.000 0.223 13 L C 1.195 178.161 176.870 0.160 0.000 1.040 13 L CA 0.111 55.103 54.840 0.253 0.000 0.894 13 L CB -0.726 41.610 42.059 0.462 0.000 1.361 13 L HN 0.037 nan 8.230 nan 0.000 0.490 14 A N -0.277 122.622 122.820 0.132 0.000 2.256 14 A HA 0.666 4.986 4.320 0.001 0.000 0.318 14 A C -0.679 176.904 177.584 -0.001 0.000 1.103 14 A CA -0.362 51.679 52.037 0.006 0.000 0.860 14 A CB 0.909 19.851 19.000 -0.097 0.000 1.182 14 A HN -0.094 nan 8.150 nan 0.000 0.501 15 V N 1.586 121.484 119.914 -0.026 0.000 2.350 15 V HA 0.163 4.283 4.120 0.001 0.000 0.276 15 V C 1.123 177.201 176.094 -0.026 0.000 1.028 15 V CA -0.348 61.937 62.300 -0.025 0.000 0.860 15 V CB 0.931 32.742 31.823 -0.020 0.000 0.990 15 V HN 1.054 nan 8.190 nan 0.000 0.453 16 D N 3.821 124.206 120.400 -0.024 0.000 2.157 16 D HA -0.244 4.397 4.640 0.001 0.000 0.191 16 D C 1.778 178.067 176.300 -0.018 0.000 1.004 16 D CA 1.927 55.916 54.000 -0.018 0.000 0.854 16 D CB 0.105 40.893 40.800 -0.020 0.000 0.936 16 D HN 0.710 nan 8.370 nan 0.000 0.446 17 R N -1.959 118.530 120.500 -0.019 0.000 4.024 17 R HA -0.313 4.027 4.340 0.001 0.000 0.391 17 R C 1.820 178.111 176.300 -0.015 0.000 1.157 17 R CA 1.734 57.823 56.100 -0.018 0.000 1.215 17 R CB -1.741 28.543 30.300 -0.026 0.000 1.738 17 R HN 0.418 nan 8.270 nan 0.000 0.566 18 K N 0.275 120.668 120.400 -0.012 0.000 2.172 18 K HA 0.113 4.433 4.320 0.001 0.000 0.203 18 K C 2.069 178.666 176.600 -0.005 0.000 1.040 18 K CA 1.366 57.648 56.287 -0.008 0.000 0.974 18 K CB -0.375 32.122 32.500 -0.005 0.000 0.857 18 K HN 0.385 nan 8.250 nan 0.000 0.464 19 K N 0.263 120.659 120.400 -0.006 0.000 2.365 19 K HA 0.560 4.881 4.320 0.001 0.000 0.197 19 K C 2.139 178.738 176.600 -0.001 0.000 1.042 19 K CA 1.164 57.449 56.287 -0.003 0.000 0.987 19 K CB -0.833 31.663 32.500 -0.007 0.000 0.779 19 K HN 0.840 nan 8.250 nan 0.000 0.484 20 L N -1.055 120.166 121.223 -0.004 0.000 2.628 20 L HA 0.676 5.017 4.340 0.001 0.000 0.229 20 L C 2.674 179.543 176.870 -0.002 0.000 1.137 20 L CA 1.217 56.056 54.840 -0.001 0.000 0.909 20 L CB -1.282 40.773 42.059 -0.006 0.000 1.137 20 L HN 0.628 nan 8.230 nan 0.000 0.470 21 M N -1.044 118.554 119.600 -0.004 0.000 2.510 21 M HA 0.388 4.868 4.480 0.001 0.000 0.256 21 M C 2.293 178.592 176.300 -0.001 0.000 1.132 21 M CA 1.532 56.827 55.300 -0.008 0.000 1.105 21 M CB -1.285 31.309 32.600 -0.010 0.000 1.375 21 M HN 0.679 nan 8.290 nan 0.000 0.477 22 K N 0.750 121.153 120.400 0.005 0.000 2.404 22 K HA 0.519 4.840 4.320 0.001 0.000 0.194 22 K C 1.426 178.038 176.600 0.021 0.000 1.023 22 K CA 1.245 57.539 56.287 0.012 0.000 1.094 22 K CB -1.132 31.375 32.500 0.012 0.000 0.841 22 K HN 0.910 nan 8.250 nan 0.000 0.523 23 E N -1.006 119.206 120.200 0.022 0.000 2.489 23 E HA 0.256 4.606 4.350 0.001 0.000 0.204 23 E C 1.734 178.356 176.600 0.036 0.000 1.006 23 E CA 0.880 57.302 56.400 0.038 0.000 0.936 23 E CB -0.072 29.652 29.700 0.041 0.000 1.002 23 E HN 0.746 nan 8.360 nan 0.000 0.488 24 Q N -1.107 118.701 119.800 0.013 0.000 2.189 24 Q HA 0.513 4.853 4.340 0.001 0.000 0.223 24 Q C 1.596 177.591 176.000 -0.008 0.000 0.828 24 Q CA 0.762 56.560 55.803 -0.009 0.000 0.967 24 Q CB -0.016 28.701 28.738 -0.035 0.000 1.139 24 Q HN 0.697 nan 8.270 nan 0.000 0.497 25 T N 0.150 114.709 114.554 0.009 0.000 3.326 25 T HA 0.774 5.124 4.350 0.001 0.000 0.274 25 T C 0.257 174.976 174.700 0.031 0.000 1.608 25 T CA 0.234 62.343 62.100 0.015 0.000 1.433 25 T CB -0.406 68.468 68.868 0.010 0.000 1.034 25 T HN 0.754 nan 8.240 nan 0.000 0.694 26 A N 0.752 123.601 122.820 0.048 0.000 2.346 26 A HA 0.961 5.282 4.320 0.001 0.000 0.313 26 A C 0.325 177.966 177.584 0.094 0.000 1.140 26 A CA -0.464 51.613 52.037 0.067 0.000 0.826 26 A CB 0.801 19.848 19.000 0.078 0.000 1.332 26 A HN 1.132 nan 8.150 nan 0.000 0.457 27 A N 0.488 123.360 122.820 0.087 0.000 2.527 27 A HA 0.555 4.875 4.320 0.001 0.000 0.313 27 A C -0.627 177.034 177.584 0.129 0.000 1.410 27 A CA -0.055 52.032 52.037 0.083 0.000 1.060 27 A CB -0.876 18.146 19.000 0.037 0.000 1.137 27 A HN 1.068 nan 8.150 nan 0.000 0.542 28 F N 1.934 121.879 119.950 -0.008 0.000 2.575 28 F HA 0.705 5.232 4.527 0.001 0.000 0.330 28 F C -0.575 175.219 175.800 -0.011 0.000 1.056 28 F CA -0.861 57.130 58.000 -0.014 0.000 0.964 28 F CB 1.978 40.982 39.000 0.007 0.000 1.258 28 F HN 0.441 nan 8.300 nan 0.000 0.484 29 D N 2.121 121.855 120.400 -1.111 0.000 2.300 29 D HA 0.158 4.799 4.640 0.001 0.000 0.218 29 D C 0.622 176.369 176.300 -0.921 0.000 1.326 29 D CA 0.066 53.650 54.000 -0.694 0.000 0.942 29 D CB 1.228 41.822 40.800 -0.343 0.000 1.495 29 D HN 0.819 nan 8.370 nan 0.000 0.545 30 G N 2.446 110.844 108.800 -0.671 0.000 2.564 30 G HA2 -0.247 3.713 3.960 0.001 0.000 0.217 30 G HA3 -0.247 3.713 3.960 0.001 0.000 0.217 30 G C 1.199 175.965 174.900 -0.223 0.000 1.120 30 G CA 0.713 45.632 45.100 -0.301 0.000 0.752 30 G HN 0.417 nan 8.290 nan 0.000 0.558 31 K N -0.618 119.647 120.400 -0.225 0.000 2.308 31 K HA 0.179 4.499 4.320 0.001 0.000 0.197 31 K C 2.096 178.590 176.600 -0.178 0.000 1.049 31 K CA 0.413 56.607 56.287 -0.154 0.000 0.991 31 K CB 0.292 32.728 32.500 -0.106 0.000 0.836 31 K HN 0.211 nan 8.250 nan 0.000 0.500 32 K N 1.363 121.615 120.400 -0.247 0.000 2.159 32 K HA 0.041 4.361 4.320 0.001 0.000 0.210 32 K C -0.098 176.348 176.600 -0.256 0.000 1.026 32 K CA 0.346 56.499 56.287 -0.225 0.000 0.959 32 K CB 0.186 32.551 32.500 -0.224 0.000 0.890 32 K HN -0.006 nan 8.250 nan 0.000 0.459 33 N N 0.435 118.913 118.700 -0.370 0.000 2.492 33 N HA 0.099 4.840 4.740 0.001 0.000 0.260 33 N C -0.568 174.753 175.510 -0.316 0.000 1.215 33 N CA -0.145 52.697 53.050 -0.346 0.000 0.923 33 N CB 0.973 39.232 38.487 -0.379 0.000 1.092 33 N HN 0.420 nan 8.380 nan 0.000 0.448 34 C N -0.809 118.292 119.300 -0.332 0.000 3.295 34 C HA 0.581 5.041 4.460 0.001 0.000 0.341 34 C C -1.809 172.944 174.990 -0.395 0.000 1.418 34 C CA -1.523 57.304 59.018 -0.318 0.000 1.240 34 C CB -0.022 27.617 27.740 -0.168 0.000 1.562 34 C HN 0.805 nan 8.230 nan 0.000 0.457 35 W N 0.647 121.903 121.300 -0.075 0.000 2.469 35 W HA 0.695 5.355 4.660 0.001 0.000 0.320 35 W C -0.363 176.181 176.519 0.042 0.000 1.086 35 W CA -0.571 56.745 57.345 -0.048 0.000 1.211 35 W CB 1.827 31.163 29.460 -0.207 0.000 1.298 35 W HN 0.617 nan 8.180 nan 0.000 0.525 36 V N 4.747 124.928 119.914 0.445 0.000 2.709 36 V HA 0.364 4.484 4.120 0.001 0.000 0.308 36 V C -2.091 174.270 176.094 0.445 0.000 1.062 36 V CA -2.542 59.969 62.300 0.352 0.000 0.901 36 V CB 2.251 34.181 31.823 0.177 0.000 1.003 36 V HN 0.285 nan 8.190 nan 0.000 0.425 37 P HA 0.071 nan 4.420 nan 0.000 0.266 37 P C -1.014 176.277 177.300 -0.014 0.000 1.186 37 P CA 0.404 63.509 63.100 0.008 0.000 0.767 37 P CB 0.369 32.068 31.700 -0.002 0.000 0.820 38 D N 1.409 121.729 120.400 -0.132 0.000 2.861 38 D HA 0.013 4.654 4.640 0.001 0.000 0.216 38 D C 0.872 177.119 176.300 -0.088 0.000 1.323 38 D CA -0.311 53.660 54.000 -0.049 0.000 0.917 38 D CB 1.245 42.063 40.800 0.031 0.000 1.582 38 D HN 0.450 nan 8.370 nan 0.000 0.576 39 E N 3.641 123.807 120.200 -0.058 0.000 2.068 39 E HA -0.289 4.061 4.350 0.001 0.000 0.207 39 E C 1.146 177.718 176.600 -0.047 0.000 1.032 39 E CA 0.943 57.310 56.400 -0.055 0.000 0.839 39 E CB 0.059 29.741 29.700 -0.030 0.000 0.758 39 E HN 0.237 nan 8.360 nan 0.000 0.457 40 K N 0.581 120.969 120.400 -0.021 0.000 1.965 40 K HA -0.096 4.224 4.320 0.001 0.000 0.220 40 K C 1.980 178.577 176.600 -0.006 0.000 1.046 40 K CA 1.572 57.855 56.287 -0.006 0.000 0.974 40 K CB -0.379 32.129 32.500 0.014 0.000 0.738 40 K HN 0.266 nan 8.250 nan 0.000 0.444 41 E N -0.030 120.179 120.200 0.016 0.000 2.463 41 E HA 0.047 4.398 4.350 0.001 0.000 0.191 41 E C 1.248 177.848 176.600 0.001 0.000 1.083 41 E CA 0.619 57.041 56.400 0.037 0.000 0.872 41 E CB 0.161 29.921 29.700 0.098 0.000 0.966 41 E HN 0.587 nan 8.360 nan 0.000 0.491 42 G N 1.036 109.778 108.800 -0.097 0.000 2.779 42 G HA2 -0.318 3.642 3.960 0.001 0.000 0.230 42 G HA3 -0.318 3.642 3.960 0.001 0.000 0.230 42 G C 0.165 174.710 174.900 -0.591 0.000 1.243 42 G CA 0.502 45.436 45.100 -0.277 0.000 0.769 42 G HN 0.270 nan 8.290 nan 0.000 0.516 43 F N 0.713 120.681 119.950 0.029 0.000 2.615 43 F HA 0.732 5.259 4.527 0.000 0.000 0.312 43 F C 0.090 176.037 175.800 0.246 0.000 1.119 43 F CA -0.430 57.627 58.000 0.095 0.000 0.979 43 F CB 2.032 40.997 39.000 -0.059 0.000 1.266 43 F HN 0.613 nan 8.300 nan 0.000 0.444 44 A N 1.415 124.553 122.820 0.529 0.000 2.350 44 A HA 0.678 4.998 4.320 0.001 0.000 0.324 44 A C -0.493 177.334 177.584 0.405 0.000 1.118 44 A CA -0.767 51.522 52.037 0.421 0.000 0.783 44 A CB 1.485 20.614 19.000 0.216 0.000 1.236 44 A HN 0.653 nan 8.150 nan 0.000 0.457 45 S N 0.918 116.723 115.700 0.176 0.000 2.488 45 S HA 0.550 5.020 4.470 0.001 0.000 0.278 45 S C 0.244 174.743 174.600 -0.167 0.000 1.259 45 S CA 0.332 58.327 58.200 -0.341 0.000 1.061 45 S CB -0.146 62.786 63.200 -0.445 0.000 0.910 45 S HN 1.678 nan 8.310 nan 0.000 0.491 46 A N 4.465 127.162 122.820 -0.205 0.000 2.437 46 A HA 0.800 5.120 4.320 0.001 0.000 0.292 46 A C -0.993 176.497 177.584 -0.156 0.000 1.173 46 A CA -0.839 51.128 52.037 -0.117 0.000 0.785 46 A CB 1.207 20.180 19.000 -0.045 0.000 1.351 46 A HN 0.806 nan 8.150 nan 0.000 0.431 47 E N 0.877 121.010 120.200 -0.111 0.000 2.279 47 E HA 0.354 4.704 4.350 0.001 0.000 0.252 47 E C -0.972 175.573 176.600 -0.092 0.000 0.894 47 E CA -0.327 56.000 56.400 -0.121 0.000 0.785 47 E CB 1.586 31.221 29.700 -0.107 0.000 1.237 47 E HN 0.572 nan 8.360 nan 0.000 0.418 48 I N 2.474 122.985 120.570 -0.100 0.000 2.993 48 I HA -0.247 3.923 4.170 0.001 0.000 0.301 48 I C 1.170 177.249 176.117 -0.064 0.000 1.229 48 I CA 1.293 62.548 61.300 -0.075 0.000 1.435 48 I CB 0.262 38.213 38.000 -0.082 0.000 1.328 48 I HN 0.680 nan 8.210 nan 0.000 0.584 49 Q N 2.422 122.193 119.800 -0.047 0.000 1.682 49 Q HA 0.201 4.541 4.340 0.001 0.000 0.146 49 Q C -0.064 175.917 176.000 -0.031 0.000 0.420 49 Q CA -0.491 55.288 55.803 -0.039 0.000 0.706 49 Q CB 0.354 29.073 28.738 -0.032 0.000 0.815 49 Q HN 0.673 nan 8.270 nan 0.000 0.233 50 S N 1.021 116.707 115.700 -0.024 0.000 2.584 50 S HA 0.290 4.760 4.470 0.001 0.000 0.270 50 S C -0.255 174.333 174.600 -0.020 0.000 1.346 50 S CA -0.247 57.942 58.200 -0.020 0.000 1.018 50 S CB 1.125 64.316 63.200 -0.015 0.000 0.899 50 S HN 0.290 nan 8.310 nan 0.000 0.542 51 S N 0.683 116.373 115.700 -0.017 0.000 2.557 51 S HA 0.567 5.038 4.470 0.001 0.000 0.291 51 S C -1.368 173.225 174.600 -0.012 0.000 1.116 51 S CA -0.854 57.336 58.200 -0.016 0.000 0.992 51 S CB 0.355 63.544 63.200 -0.018 0.000 1.028 51 S HN 0.609 nan 8.310 nan 0.000 0.484 52 K N 3.419 123.813 120.400 -0.010 0.000 3.088 52 K HA 0.348 4.669 4.320 0.001 0.000 0.193 52 K C 0.794 177.390 176.600 -0.006 0.000 1.176 52 K CA -0.134 56.149 56.287 -0.007 0.000 0.907 52 K CB 0.615 33.112 32.500 -0.006 0.000 1.139 52 K HN 0.951 nan 8.250 nan 0.000 0.597 53 G N 2.082 110.878 108.800 -0.007 0.000 4.328 53 G HA2 -0.441 3.519 3.960 0.001 0.000 0.222 53 G HA3 -0.441 3.519 3.960 0.001 0.000 0.222 53 G C 0.727 175.624 174.900 -0.005 0.000 1.366 53 G CA 1.506 46.603 45.100 -0.006 0.000 1.115 53 G HN 0.602 nan 8.290 nan 0.000 0.667 54 D N 0.285 120.683 120.400 -0.003 0.000 2.266 54 D HA 0.025 4.666 4.640 0.001 0.000 0.304 54 D C 0.754 177.054 176.300 0.000 0.000 1.080 54 D CA 0.477 54.476 54.000 -0.001 0.000 0.850 54 D CB 0.237 41.037 40.800 0.001 0.000 1.515 54 D HN 0.480 nan 8.370 nan 0.000 0.531 55 E N 1.935 122.135 120.200 -0.000 0.000 1.775 55 E HA 0.116 4.466 4.350 0.001 0.000 0.266 55 E C -0.253 176.346 176.600 -0.002 0.000 1.191 55 E CA -0.348 56.053 56.400 0.001 0.000 1.048 55 E CB -0.303 29.398 29.700 0.000 0.000 1.081 55 E HN 0.181 nan 8.360 nan 0.000 0.434 56 I N 3.238 123.807 120.570 -0.002 0.000 2.395 56 I HA 0.111 4.281 4.170 0.001 0.000 0.289 56 I C -0.602 175.512 176.117 -0.006 0.000 1.023 56 I CA 0.105 61.401 61.300 -0.007 0.000 1.350 56 I CB 1.504 39.498 38.000 -0.010 0.000 1.409 56 I HN 0.155 nan 8.210 nan 0.000 0.507 57 T N 7.823 122.370 114.554 -0.010 0.000 2.770 57 T HA 0.516 4.867 4.350 0.001 0.000 0.297 57 T C -0.012 174.679 174.700 -0.015 0.000 0.997 57 T CA -0.500 61.595 62.100 -0.009 0.000 0.949 57 T CB 0.535 69.397 68.868 -0.010 0.000 0.941 57 T HN 0.563 nan 8.240 nan 0.000 0.457 58 V N 0.808 120.715 119.914 -0.012 0.000 3.267 58 V HA 0.763 4.883 4.120 0.001 0.000 0.317 58 V C -0.365 175.720 176.094 -0.016 0.000 1.131 58 V CA -1.205 61.083 62.300 -0.020 0.000 1.031 58 V CB 1.860 33.672 31.823 -0.017 0.000 1.159 58 V HN 0.754 nan 8.190 nan 0.000 0.454 59 K N 1.551 121.937 120.400 -0.024 0.000 2.579 59 K HA 0.518 4.839 4.320 0.001 0.000 0.250 59 K C -1.663 174.925 176.600 -0.020 0.000 0.952 59 K CA -0.775 55.500 56.287 -0.019 0.000 0.857 59 K CB 1.453 33.938 32.500 -0.026 0.000 1.123 59 K HN 0.664 nan 8.250 nan 0.000 0.433 60 I N 5.313 125.881 120.570 -0.003 0.000 2.406 60 I HA -0.051 4.119 4.170 0.001 0.000 0.293 60 I C 1.391 177.509 176.117 0.002 0.000 1.101 60 I CA 0.166 61.470 61.300 0.007 0.000 1.334 60 I CB 1.012 39.030 38.000 0.031 0.000 1.421 60 I HN 0.527 nan 8.210 nan 0.000 0.513 61 V N 6.534 126.440 119.914 -0.014 0.000 2.380 61 V HA -0.361 3.759 4.120 0.001 0.000 0.251 61 V C 2.432 178.535 176.094 0.014 0.000 1.063 61 V CA 2.150 64.443 62.300 -0.011 0.000 1.055 61 V CB -1.057 30.747 31.823 -0.032 0.000 0.657 61 V HN 0.974 nan 8.190 nan 0.000 0.455 62 A N 1.411 124.251 122.820 0.033 0.000 1.881 62 A HA -0.298 4.023 4.320 0.001 0.000 0.219 62 A C 1.709 179.317 177.584 0.040 0.000 1.215 62 A CA 2.538 54.606 52.037 0.051 0.000 0.648 62 A CB -0.622 18.421 19.000 0.073 0.000 0.832 62 A HN 0.769 nan 8.150 nan 0.000 0.455 63 D N -2.719 117.701 120.400 0.032 0.000 2.571 63 D HA 0.258 4.898 4.640 0.001 0.000 0.239 63 D C 0.142 176.452 176.300 0.017 0.000 1.267 63 D CA 0.508 54.523 54.000 0.025 0.000 0.823 63 D CB -0.707 40.109 40.800 0.026 0.000 1.056 63 D HN 0.215 nan 8.370 nan 0.000 0.494 64 S N -0.626 115.081 115.700 0.013 0.000 3.549 64 S HA -0.197 4.273 4.470 0.001 0.000 0.366 64 S C 0.470 175.073 174.600 0.005 0.000 1.012 64 S CA 0.852 59.056 58.200 0.006 0.000 1.141 64 S CB -2.498 60.705 63.200 0.006 0.000 0.910 64 S HN 0.813 nan 8.310 nan 0.000 0.471 65 S N -0.419 115.286 115.700 0.008 0.000 2.747 65 S HA 0.831 5.301 4.470 0.001 0.000 0.300 65 S C -0.034 174.568 174.600 0.005 0.000 1.121 65 S CA -0.582 57.622 58.200 0.007 0.000 0.995 65 S CB 1.920 65.127 63.200 0.012 0.000 1.113 65 S HN 0.256 nan 8.310 nan 0.000 0.547 66 T N 1.179 115.735 114.554 0.004 0.000 2.918 66 T HA 0.763 5.114 4.350 0.001 0.000 0.286 66 T C -0.439 174.265 174.700 0.006 0.000 1.026 66 T CA -0.756 61.345 62.100 0.002 0.000 1.031 66 T CB 1.177 70.045 68.868 -0.001 0.000 1.046 66 T HN 0.794 nan 8.240 nan 0.000 0.479 67 R N 0.404 120.908 120.500 0.006 0.000 2.664 67 R HA 0.475 4.815 4.340 0.001 0.000 0.266 67 R C -1.830 174.475 176.300 0.009 0.000 1.046 67 R CA -0.535 55.571 56.100 0.010 0.000 0.885 67 R CB 1.684 31.994 30.300 0.018 0.000 1.254 67 R HN 0.668 nan 8.270 nan 0.000 0.465 68 T N 3.125 117.684 114.554 0.010 0.000 2.786 68 T HA 0.438 4.788 4.350 0.001 0.000 0.283 68 T C -0.436 174.272 174.700 0.014 0.000 0.992 68 T CA -0.504 61.601 62.100 0.008 0.000 0.954 68 T CB 1.160 70.031 68.868 0.005 0.000 0.934 68 T HN 0.427 nan 8.240 nan 0.000 0.440 69 V N 1.427 121.352 119.914 0.017 0.000 3.103 69 V HA 0.704 4.824 4.120 0.001 0.000 0.318 69 V C -0.396 175.711 176.094 0.021 0.000 1.114 69 V CA -1.292 61.024 62.300 0.026 0.000 1.020 69 V CB 1.671 33.519 31.823 0.041 0.000 1.085 69 V HN 0.655 nan 8.190 nan 0.000 0.446 70 K N 1.084 121.500 120.400 0.026 0.000 2.249 70 K HA 0.260 4.581 4.320 0.001 0.000 0.280 70 K C 0.866 177.479 176.600 0.021 0.000 1.033 70 K CA -0.254 56.046 56.287 0.021 0.000 0.946 70 K CB 1.091 33.604 32.500 0.023 0.000 1.005 70 K HN 0.804 nan 8.250 nan 0.000 0.469 71 K N 2.139 122.546 120.400 0.011 0.000 2.442 71 K HA -0.177 4.143 4.320 0.001 0.000 0.200 71 K C -0.045 176.561 176.600 0.010 0.000 1.045 71 K CA 1.455 57.745 56.287 0.005 0.000 0.937 71 K CB 0.245 32.744 32.500 -0.002 0.000 0.757 71 K HN 0.519 nan 8.250 nan 0.000 0.474 72 D N 0.064 120.474 120.400 0.018 0.000 2.369 72 D HA -0.023 4.618 4.640 0.001 0.000 0.211 72 D C 0.542 176.866 176.300 0.040 0.000 1.077 72 D CA 0.273 54.286 54.000 0.022 0.000 0.842 72 D CB 0.434 41.246 40.800 0.019 0.000 0.947 72 D HN 0.211 nan 8.370 nan 0.000 0.509 73 D N 0.413 120.845 120.400 0.053 0.000 2.367 73 D HA 0.114 4.754 4.640 0.001 0.000 0.207 73 D C 1.092 177.461 176.300 0.114 0.000 1.034 73 D CA -0.085 53.969 54.000 0.090 0.000 0.861 73 D CB 1.573 42.427 40.800 0.090 0.000 0.943 73 D HN 0.205 nan 8.370 nan 0.000 0.515 74 I N 1.445 122.057 120.570 0.070 0.000 2.696 74 I HA -0.023 4.147 4.170 0.001 0.000 0.284 74 I C 0.351 176.487 176.117 0.032 0.000 1.129 74 I CA 0.535 61.870 61.300 0.059 0.000 1.410 74 I CB 0.649 38.657 38.000 0.014 0.000 1.399 74 I HN -0.253 nan 8.210 nan 0.000 0.579 75 Q N 3.680 123.499 119.800 0.030 0.000 2.331 75 Q HA 0.322 4.663 4.340 0.001 0.000 0.272 75 Q C -1.022 174.968 176.000 -0.016 0.000 1.062 75 Q CA -0.708 55.086 55.803 -0.014 0.000 0.806 75 Q CB 2.388 31.073 28.738 -0.088 0.000 1.312 75 Q HN 0.572 nan 8.270 nan 0.000 0.431 76 S N 2.317 117.931 115.700 -0.143 0.000 2.549 76 S HA 0.147 4.617 4.470 0.001 0.000 0.286 76 S C -0.216 174.347 174.600 -0.061 0.000 1.314 76 S CA 0.149 58.146 58.200 -0.338 0.000 1.062 76 S CB 0.257 62.828 63.200 -1.049 0.000 0.865 76 S HN 0.482 nan 8.310 nan 0.000 0.498 77 M N 4.208 123.794 119.600 -0.023 0.000 2.264 77 M HA 0.282 4.763 4.480 0.001 0.000 0.352 77 M C -0.383 176.120 176.300 0.338 0.000 1.173 77 M CA -0.647 54.743 55.300 0.150 0.000 1.075 77 M CB 0.570 33.062 32.600 -0.180 0.000 1.621 77 M HN 0.487 nan 8.290 nan 0.000 0.457 78 N N 4.662 123.548 118.700 0.311 0.000 2.503 78 N HA 0.387 5.128 4.740 0.001 0.000 0.267 78 N C -2.574 172.838 175.510 -0.163 0.000 1.214 78 N CA -0.915 52.253 53.050 0.198 0.000 0.959 78 N CB 0.444 38.969 38.487 0.063 0.000 1.142 78 N HN 0.429 nan 8.380 nan 0.000 0.455 79 P HA 0.170 nan 4.420 nan 0.000 0.272 79 P C -1.748 175.337 177.300 -0.360 0.000 1.240 79 P CA -0.939 61.610 63.100 -0.917 0.000 0.791 79 P CB 0.124 31.621 31.700 -0.339 0.000 0.978 80 P HA -0.203 nan 4.420 nan 0.000 0.217 80 P C 1.371 178.635 177.300 -0.061 0.000 1.148 80 P CA 1.577 64.617 63.100 -0.101 0.000 0.828 80 P CB -0.086 31.578 31.700 -0.059 0.000 0.783 81 K N -0.579 119.724 120.400 -0.162 0.000 2.228 81 K HA -0.167 4.153 4.320 0.001 0.000 0.205 81 K C 0.773 177.182 176.600 -0.318 0.000 1.045 81 K CA 1.375 57.486 56.287 -0.293 0.000 0.931 81 K CB -0.474 31.726 32.500 -0.501 0.000 0.727 81 K HN 0.148 nan 8.250 nan 0.000 0.458 82 F N 1.683 121.615 119.950 -0.029 0.000 2.645 82 F HA 0.201 4.728 4.527 0.000 0.000 0.300 82 F C 0.375 176.201 175.800 0.042 0.000 1.115 82 F CA -0.576 57.429 58.000 0.008 0.000 1.355 82 F CB 0.191 39.202 39.000 0.020 0.000 1.026 82 F HN -0.161 nan 8.300 nan 0.000 0.536 83 E N 1.577 121.886 120.200 0.183 0.000 2.467 83 E HA -0.096 4.254 4.350 0.001 0.000 0.264 83 E C 0.632 177.282 176.600 0.083 0.000 1.020 83 E CA 0.180 56.669 56.400 0.148 0.000 0.945 83 E CB 0.266 30.029 29.700 0.106 0.000 0.942 83 E HN 0.293 nan 8.360 nan 0.000 0.449 84 K N 0.746 121.159 120.400 0.021 0.000 3.213 84 K HA -0.251 4.069 4.320 0.001 0.000 0.266 84 K C 0.218 176.840 176.600 0.036 0.000 0.911 84 K CA 0.007 56.290 56.287 -0.007 0.000 0.684 84 K CB -1.273 31.215 32.500 -0.019 0.000 1.402 84 K HN 0.258 nan 8.250 nan 0.000 0.465 85 L N 1.703 122.975 121.223 0.081 0.000 2.525 85 L HA -0.076 4.264 4.340 0.001 0.000 0.278 85 L C 1.724 178.643 176.870 0.082 0.000 1.218 85 L CA 0.757 55.665 54.840 0.113 0.000 0.878 85 L CB 0.657 42.822 42.059 0.177 0.000 1.127 85 L HN 0.161 nan 8.230 nan 0.000 0.492 86 E N 1.898 122.152 120.200 0.090 0.000 2.072 86 E HA -0.101 4.250 4.350 0.001 0.000 0.190 86 E C -0.019 176.672 176.600 0.151 0.000 0.982 86 E CA 0.855 57.316 56.400 0.100 0.000 0.803 86 E CB -0.063 29.711 29.700 0.124 0.000 0.755 86 E HN 0.613 nan 8.360 nan 0.000 0.453 87 D N -0.217 120.277 120.400 0.157 0.000 2.462 87 D HA 0.189 4.829 4.640 0.001 0.000 0.245 87 D C 0.690 177.041 176.300 0.085 0.000 1.122 87 D CA -0.251 53.842 54.000 0.156 0.000 0.864 87 D CB 0.848 41.730 40.800 0.136 0.000 1.098 87 D HN -0.164 nan 8.370 nan 0.000 0.541 88 M N 2.089 121.724 119.600 0.057 0.000 2.426 88 M HA -0.150 4.330 4.480 0.001 0.000 0.261 88 M C 1.721 178.015 176.300 -0.009 0.000 1.068 88 M CA 1.118 56.431 55.300 0.021 0.000 1.066 88 M CB 0.079 32.691 32.600 0.021 0.000 1.399 88 M HN 0.484 nan 8.290 nan 0.000 0.449 89 A N -0.046 122.767 122.820 -0.012 0.000 2.239 89 A HA -0.049 4.272 4.320 0.001 0.000 0.209 89 A C 1.495 179.068 177.584 -0.018 0.000 1.171 89 A CA 0.981 53.003 52.037 -0.024 0.000 0.768 89 A CB -0.451 18.527 19.000 -0.036 0.000 0.790 89 A HN 0.477 nan 8.150 nan 0.000 0.478 90 N N -0.714 117.986 118.700 0.001 0.000 2.236 90 N HA 0.162 4.902 4.740 0.001 0.000 0.196 90 N C 0.302 175.783 175.510 -0.050 0.000 1.114 90 N CA 0.094 53.164 53.050 0.033 0.000 0.859 90 N CB -0.021 38.536 38.487 0.118 0.000 0.982 90 N HN 0.505 nan 8.380 nan 0.000 0.493 91 M N 0.086 119.555 119.600 -0.220 0.000 2.240 91 M HA -0.009 4.471 4.480 0.001 0.000 0.317 91 M C 1.461 177.393 176.300 -0.614 0.000 1.087 91 M CA 0.489 55.393 55.300 -0.661 0.000 1.176 91 M CB 0.460 32.821 32.600 -0.399 0.000 1.439 91 M HN -0.091 nan 8.290 nan 0.000 0.452 92 T N -0.116 113.894 114.554 -0.906 0.000 2.942 92 T HA -0.014 4.337 4.350 0.001 0.000 0.265 92 T C -0.397 173.856 174.700 -0.745 0.000 1.062 92 T CA 1.237 62.923 62.100 -0.691 0.000 1.139 92 T CB -0.018 68.381 68.868 -0.781 0.000 0.883 92 T HN 0.377 nan 8.240 nan 0.000 0.468 93 Y N 0.976 121.174 120.300 -0.170 0.000 2.345 93 Y HA 0.504 5.055 4.550 0.001 0.000 0.331 93 Y C -0.362 175.493 175.900 -0.075 0.000 0.959 93 Y CA -1.472 56.584 58.100 -0.074 0.000 1.204 93 Y CB 0.540 38.989 38.460 -0.019 0.000 1.135 93 Y HN -0.017 nan 8.280 nan 0.000 0.477 94 L N 5.888 127.156 121.223 0.074 0.000 2.315 94 L HA 0.375 4.715 4.340 0.001 0.000 0.278 94 L C -0.732 176.169 176.870 0.052 0.000 1.088 94 L CA -0.401 54.463 54.840 0.041 0.000 0.899 94 L CB -0.370 41.710 42.059 0.035 0.000 1.277 94 L HN 0.671 nan 8.230 nan 0.000 0.431 95 N N -0.434 118.278 118.700 0.019 0.000 2.357 95 N HA 0.225 4.965 4.740 0.001 0.000 0.284 95 N C 0.227 175.680 175.510 -0.096 0.000 1.236 95 N CA -1.042 51.990 53.050 -0.029 0.000 0.774 95 N CB 0.800 39.254 38.487 -0.055 0.000 1.534 95 N HN 0.214 nan 8.380 nan 0.000 0.478 96 E N -0.182 119.960 120.200 -0.097 0.000 2.219 96 E HA -0.275 4.076 4.350 0.001 0.000 0.198 96 E C 1.236 177.690 176.600 -0.244 0.000 0.998 96 E CA 1.688 58.044 56.400 -0.073 0.000 0.818 96 E CB -0.245 29.503 29.700 0.081 0.000 0.741 96 E HN 0.682 nan 8.360 nan 0.000 0.477 97 A N 1.163 123.590 122.820 -0.655 0.000 1.898 97 A HA -0.077 4.243 4.320 0.001 0.000 0.214 97 A C 2.388 179.509 177.584 -0.772 0.000 1.183 97 A CA 1.135 52.534 52.037 -1.063 0.000 0.622 97 A CB -0.238 17.770 19.000 -1.654 0.000 0.824 97 A HN 0.103 nan 8.150 nan 0.000 0.444 98 S N -0.252 115.196 115.700 -0.419 0.000 2.368 98 S HA -0.130 4.340 4.470 0.001 0.000 0.225 98 S C 1.901 176.474 174.600 -0.044 0.000 1.030 98 S CA 1.484 59.619 58.200 -0.108 0.000 0.999 98 S CB -0.420 62.793 63.200 0.022 0.000 0.844 98 S HN 0.320 nan 8.310 nan 0.000 0.459 99 V N 1.900 121.775 119.914 -0.065 0.000 2.343 99 V HA -0.123 3.997 4.120 0.001 0.000 0.247 99 V C 2.247 178.326 176.094 -0.025 0.000 1.051 99 V CA 1.505 63.795 62.300 -0.016 0.000 1.036 99 V CB -0.631 31.198 31.823 0.009 0.000 0.654 99 V HN 0.380 nan 8.190 nan 0.000 0.451 100 L N -0.437 120.747 121.223 -0.065 0.000 2.046 100 L HA -0.200 4.141 4.340 0.001 0.000 0.208 100 L C 2.286 179.139 176.870 -0.028 0.000 1.077 100 L CA 2.203 57.018 54.840 -0.042 0.000 0.747 100 L CB -0.965 41.079 42.059 -0.025 0.000 0.896 100 L HN 0.459 nan 8.230 nan 0.000 0.432 101 Y N 0.195 120.363 120.300 -0.219 0.000 2.242 101 Y HA -0.214 4.337 4.550 0.001 0.000 0.291 101 Y C 2.565 178.473 175.900 0.013 0.000 1.137 101 Y CA 2.013 60.045 58.100 -0.114 0.000 1.181 101 Y CB -0.517 37.879 38.460 -0.106 0.000 0.989 101 Y HN 0.425 nan 8.280 nan 0.000 0.527 102 N N 0.077 118.747 118.700 -0.050 0.000 2.084 102 N HA -0.188 4.552 4.740 0.001 0.000 0.190 102 N C 1.870 177.316 175.510 -0.106 0.000 1.030 102 N CA 1.725 54.714 53.050 -0.102 0.000 0.849 102 N CB -0.221 38.271 38.487 0.007 0.000 1.012 102 N HN 0.402 nan 8.380 nan 0.000 0.423 103 L N 0.870 122.063 121.223 -0.051 0.000 2.046 103 L HA -0.136 4.205 4.340 0.001 0.000 0.208 103 L C 2.826 179.692 176.870 -0.007 0.000 1.077 103 L CA 0.911 55.736 54.840 -0.024 0.000 0.747 103 L CB -0.593 41.455 42.059 -0.019 0.000 0.896 103 L HN 0.241 nan 8.230 nan 0.000 0.432 104 R N 0.269 120.751 120.500 -0.030 0.000 2.083 104 R HA -0.163 4.178 4.340 0.001 0.000 0.237 104 R C 2.399 178.697 176.300 -0.003 0.000 1.137 104 R CA 1.994 58.106 56.100 0.020 0.000 0.951 104 R CB -0.139 30.176 30.300 0.026 0.000 0.851 104 R HN 0.265 nan 8.270 nan 0.000 0.434 105 S N 0.446 116.033 115.700 -0.187 0.000 2.359 105 S HA -0.124 4.346 4.470 0.001 0.000 0.224 105 S C 1.912 176.456 174.600 -0.094 0.000 1.035 105 S CA 1.434 59.497 58.200 -0.228 0.000 1.018 105 S CB -0.232 62.677 63.200 -0.485 0.000 0.876 105 S HN 0.425 nan 8.310 nan 0.000 0.448 106 R N -0.494 119.967 120.500 -0.066 0.000 2.075 106 R HA -0.057 4.284 4.340 0.001 0.000 0.232 106 R C 2.243 178.550 176.300 0.011 0.000 1.126 106 R CA 1.363 57.447 56.100 -0.026 0.000 0.963 106 R CB -0.492 29.799 30.300 -0.015 0.000 0.858 106 R HN 0.409 nan 8.270 nan 0.000 0.435 107 Y N 1.924 122.184 120.300 -0.067 0.000 2.114 107 Y HA -0.284 4.266 4.550 0.000 0.000 0.282 107 Y C 2.511 178.398 175.900 -0.020 0.000 1.165 107 Y CA 2.108 60.181 58.100 -0.046 0.000 1.148 107 Y CB -0.578 37.861 38.460 -0.036 0.000 0.972 107 Y HN 0.152 nan 8.280 nan 0.000 0.504 108 T N -3.734 110.807 114.554 -0.022 0.000 2.962 108 T HA -0.090 4.260 4.350 0.001 0.000 0.270 108 T C 1.968 176.605 174.700 -0.106 0.000 1.088 108 T CA 1.277 63.331 62.100 -0.077 0.000 1.127 108 T CB -0.507 68.373 68.868 0.020 0.000 0.883 108 T HN 0.241 nan 8.240 nan 0.000 0.493 109 S N 0.468 116.109 115.700 -0.097 0.000 2.470 109 S HA 0.401 4.872 4.470 0.001 0.000 0.225 109 S C 1.824 176.341 174.600 -0.138 0.000 1.006 109 S CA 0.613 58.751 58.200 -0.103 0.000 0.934 109 S CB -0.152 63.000 63.200 -0.081 0.000 0.778 109 S HN 0.947 nan 8.310 nan 0.000 0.517 110 G N 0.660 109.381 108.800 -0.132 0.000 2.205 110 G HA2 -0.148 3.812 3.960 0.001 0.000 0.180 110 G HA3 -0.148 3.812 3.960 0.001 0.000 0.180 110 G C -0.089 174.816 174.900 0.008 0.000 1.004 110 G CA -0.573 44.506 45.100 -0.036 0.000 0.670 110 G HN 0.382 nan 8.290 nan 0.000 0.496 111 L N 2.421 123.617 121.223 -0.045 0.000 2.312 111 L HA 0.481 4.822 4.340 0.001 0.000 0.287 111 L C 1.934 178.769 176.870 -0.058 0.000 1.091 111 L CA -0.453 54.370 54.840 -0.028 0.000 0.846 111 L CB 0.606 42.653 42.059 -0.019 0.000 1.219 111 L HN 0.382 nan 8.230 nan 0.000 0.439 112 I N -0.974 119.499 120.570 -0.162 0.000 3.728 112 I HA 0.122 4.293 4.170 0.001 0.000 0.307 112 I C -0.246 175.580 176.117 -0.484 0.000 1.276 112 I CA 0.176 61.309 61.300 -0.277 0.000 1.285 112 I CB 0.162 37.914 38.000 -0.413 0.000 1.038 112 I HN 0.251 nan 8.210 nan 0.000 0.445 113 Y N 1.355 121.580 120.300 -0.125 0.000 2.377 113 Y HA 0.670 5.220 4.550 0.001 0.000 0.339 113 Y C -0.074 175.698 175.900 -0.214 0.000 1.011 113 Y CA -0.852 57.131 58.100 -0.194 0.000 1.093 113 Y CB 1.967 40.240 38.460 -0.311 0.000 1.201 113 Y HN -0.104 nan 8.280 nan 0.000 0.455 114 T N 2.417 116.933 114.554 -0.063 0.000 2.956 114 T HA 0.410 4.760 4.350 0.001 0.000 0.312 114 T C -1.433 173.197 174.700 -0.117 0.000 1.151 114 T CA -0.931 61.100 62.100 -0.114 0.000 1.024 114 T CB 0.794 69.653 68.868 -0.016 0.000 1.140 114 T HN 0.208 nan 8.240 nan 0.000 0.473 115 Y N 1.515 121.852 120.300 0.062 0.000 2.354 115 Y HA 0.552 5.102 4.550 0.001 0.000 0.322 115 Y C 1.042 176.908 175.900 -0.057 0.000 1.253 115 Y CA -1.002 57.106 58.100 0.015 0.000 1.272 115 Y CB 1.281 39.745 38.460 0.007 0.000 1.255 115 Y HN 0.655 nan 8.280 nan 0.000 0.500 116 S N 0.290 115.973 115.700 -0.028 0.000 2.356 116 S HA 0.592 5.062 4.470 0.001 0.000 0.171 116 S C 0.090 174.345 174.600 -0.576 0.000 1.399 116 S CA -0.426 57.628 58.200 -0.244 0.000 1.225 116 S CB 0.361 63.441 63.200 -0.200 0.000 1.271 116 S HN 1.456 nan 8.310 nan 0.000 0.427 117 G N 2.967 111.595 108.800 -0.287 0.000 2.527 117 G HA2 -0.291 3.669 3.960 0.001 0.000 0.268 117 G HA3 -0.291 3.669 3.960 0.001 0.000 0.268 117 G C 0.561 175.309 174.900 -0.254 0.000 1.175 117 G CA 0.069 45.009 45.100 -0.266 0.000 0.962 117 G HN 0.864 nan 8.290 nan 0.000 0.560 118 L N 0.889 121.995 121.223 -0.196 0.000 2.275 118 L HA 0.209 4.549 4.340 0.001 0.000 0.215 118 L C 1.655 178.621 176.870 0.161 0.000 1.119 118 L CA 1.340 56.188 54.840 0.014 0.000 0.790 118 L CB -0.723 41.411 42.059 0.125 0.000 0.919 118 L HN 0.445 nan 8.230 nan 0.000 0.443 119 F N -2.611 117.474 119.950 0.226 0.000 2.585 119 F HA 0.579 5.106 4.527 0.000 0.000 0.350 119 F C -0.122 175.861 175.800 0.305 0.000 1.074 119 F CA -1.781 56.403 58.000 0.306 0.000 1.032 119 F CB 0.499 39.723 39.000 0.373 0.000 1.330 119 F HN -0.373 nan 8.300 nan 0.000 0.495 120 C N 1.995 121.628 119.300 0.554 0.000 2.529 120 C HA 0.794 5.254 4.460 0.001 0.000 0.329 120 C C -0.798 174.413 174.990 0.368 0.000 1.194 120 C CA -0.600 58.661 59.018 0.405 0.000 1.779 120 C CB 0.776 28.719 27.740 0.339 0.000 2.322 120 C HN 0.620 nan 8.230 nan 0.000 0.500 121 I N 4.238 124.956 120.570 0.247 0.000 2.433 121 I HA 0.562 4.733 4.170 0.001 0.000 0.292 121 I C 0.311 176.499 176.117 0.117 0.000 1.001 121 I CA -0.250 61.158 61.300 0.180 0.000 1.119 121 I CB 1.075 39.160 38.000 0.141 0.000 1.289 121 I HN 0.869 nan 8.210 nan 0.000 0.438 122 A N 6.881 129.744 122.820 0.072 0.000 2.340 122 A HA 0.675 4.995 4.320 0.001 0.000 0.297 122 A C -0.766 176.754 177.584 -0.106 0.000 1.195 122 A CA -0.500 51.513 52.037 -0.040 0.000 0.769 122 A CB 1.053 20.100 19.000 0.078 0.000 1.163 122 A HN 0.383 nan 8.150 nan 0.000 0.472 123 V N 3.386 123.205 119.914 -0.157 0.000 2.432 123 V HA 0.167 4.287 4.120 0.001 0.000 0.275 123 V C 0.627 176.656 176.094 -0.108 0.000 1.043 123 V CA -0.927 61.284 62.300 -0.148 0.000 0.925 123 V CB 1.155 32.869 31.823 -0.182 0.000 0.985 123 V HN 0.905 nan 8.190 nan 0.000 0.466 124 N N 8.083 126.698 118.700 -0.143 0.000 2.411 124 N HA 0.043 4.783 4.740 0.001 0.000 0.265 124 N C -1.170 174.324 175.510 -0.027 0.000 1.266 124 N CA -1.314 51.610 53.050 -0.210 0.000 0.889 124 N CB 1.442 39.669 38.487 -0.433 0.000 1.069 124 N HN 0.358 nan 8.380 nan 0.000 0.476 125 P HA -0.043 nan 4.420 nan 0.000 0.221 125 P C -0.424 176.969 177.300 0.155 0.000 1.155 125 P CA 0.593 63.747 63.100 0.090 0.000 0.812 125 P CB 0.176 31.861 31.700 -0.025 0.000 0.801 126 Y N 0.099 120.434 120.300 0.059 0.000 3.477 126 Y HA -0.253 4.298 4.550 0.001 0.000 0.216 126 Y C 0.697 176.608 175.900 0.018 0.000 1.296 126 Y CA 0.964 59.088 58.100 0.040 0.000 1.535 126 Y CB -2.241 36.256 38.460 0.060 0.000 1.482 126 Y HN 0.356 nan 8.280 nan 0.000 0.597 127 R N -2.065 118.489 120.500 0.089 0.000 3.112 127 R HA 0.661 5.001 4.340 0.001 0.000 0.271 127 R C -1.362 174.936 176.300 -0.003 0.000 1.008 127 R CA -1.353 54.775 56.100 0.046 0.000 0.903 127 R CB 0.736 31.061 30.300 0.040 0.000 1.267 127 R HN -0.096 nan 8.270 nan 0.000 0.514 128 R N 1.314 121.806 120.500 -0.014 0.000 2.438 128 R HA 0.452 4.792 4.340 0.001 0.000 0.287 128 R C -0.626 175.630 176.300 -0.073 0.000 1.077 128 R CA -0.134 55.953 56.100 -0.021 0.000 1.034 128 R CB 0.501 30.794 30.300 -0.013 0.000 0.993 128 R HN 0.536 nan 8.270 nan 0.000 0.459 129 L N 5.514 126.713 121.223 -0.040 0.000 2.346 129 L HA 0.465 4.805 4.340 0.001 0.000 0.274 129 L C -1.624 175.189 176.870 -0.094 0.000 1.007 129 L CA -2.094 52.617 54.840 -0.215 0.000 0.818 129 L CB 2.288 44.216 42.059 -0.219 0.000 1.284 129 L HN 0.485 nan 8.230 nan 0.000 0.424 130 P HA 0.056 nan 4.420 nan 0.000 0.269 130 P C 0.814 178.103 177.300 -0.017 0.000 1.461 130 P CA 0.362 63.429 63.100 -0.056 0.000 0.809 130 P CB -0.244 31.420 31.700 -0.060 0.000 1.503 131 I N -6.957 113.555 120.570 -0.095 0.000 3.928 131 I HA 0.200 4.371 4.170 0.001 0.000 0.335 131 I C 0.231 176.222 176.117 -0.210 0.000 1.325 131 I CA 0.020 61.225 61.300 -0.159 0.000 1.107 131 I CB -0.236 37.589 38.000 -0.292 0.000 1.014 131 I HN -0.176 nan 8.210 nan 0.000 0.400 132 Y N 1.724 122.119 120.300 0.159 0.000 2.584 132 Y HA 0.255 4.806 4.550 0.000 0.000 0.254 132 Y C 1.781 177.837 175.900 0.260 0.000 1.177 132 Y CA -0.343 57.915 58.100 0.263 0.000 1.216 132 Y CB -0.291 38.273 38.460 0.173 0.000 1.172 132 Y HN 0.205 nan 8.280 nan 0.000 0.529 133 T N -2.473 112.240 114.554 0.265 0.000 2.619 133 T HA -0.064 4.286 4.350 0.001 0.000 0.330 133 T C 1.029 175.809 174.700 0.134 0.000 1.037 133 T CA 0.116 62.315 62.100 0.164 0.000 1.005 133 T CB 0.613 69.538 68.868 0.094 0.000 1.084 133 T HN 0.187 nan 8.240 nan 0.000 0.521 134 D N -0.107 120.330 120.400 0.061 0.000 2.289 134 D HA -0.005 4.635 4.640 0.001 0.000 0.207 134 D C 2.438 178.734 176.300 -0.006 0.000 0.966 134 D CA 1.204 55.208 54.000 0.007 0.000 0.868 134 D CB -0.109 40.682 40.800 -0.014 0.000 0.943 134 D HN 0.694 nan 8.370 nan 0.000 0.514 135 S N 0.317 116.023 115.700 0.009 0.000 2.371 135 S HA -0.075 4.395 4.470 0.001 0.000 0.224 135 S C 2.271 176.872 174.600 0.000 0.000 1.029 135 S CA 0.450 58.643 58.200 -0.012 0.000 0.978 135 S CB -0.604 62.582 63.200 -0.024 0.000 0.833 135 S HN 0.027 nan 8.310 nan 0.000 0.466 136 V N 2.594 122.538 119.914 0.051 0.000 2.343 136 V HA -0.113 4.008 4.120 0.001 0.000 0.247 136 V C 2.457 178.663 176.094 0.186 0.000 1.051 136 V CA 1.684 64.059 62.300 0.126 0.000 1.036 136 V CB -0.863 31.073 31.823 0.189 0.000 0.654 136 V HN 0.468 nan 8.190 nan 0.000 0.451 137 I N 0.734 121.346 120.570 0.069 0.000 2.194 137 I HA -0.301 3.870 4.170 0.001 0.000 0.246 137 I C 2.642 178.749 176.117 -0.018 0.000 1.093 137 I CA 1.640 62.880 61.300 -0.101 0.000 1.355 137 I CB -0.584 37.250 38.000 -0.277 0.000 1.046 137 I HN 0.321 nan 8.210 nan 0.000 0.413 138 A N 0.569 123.375 122.820 -0.024 0.000 2.019 138 A HA -0.192 4.129 4.320 0.001 0.000 0.219 138 A C 2.232 179.822 177.584 0.010 0.000 1.164 138 A CA 1.468 53.486 52.037 -0.031 0.000 0.644 138 A CB -0.342 18.633 19.000 -0.042 0.000 0.805 138 A HN 0.383 nan 8.150 nan 0.000 0.449 139 K N -2.224 118.207 120.400 0.052 0.000 2.361 139 K HA 0.057 4.377 4.320 0.001 0.000 0.196 139 K C 0.986 177.594 176.600 0.015 0.000 1.039 139 K CA 0.666 56.974 56.287 0.035 0.000 1.001 139 K CB -0.015 32.480 32.500 -0.007 0.000 0.795 139 K HN 0.599 nan 8.250 nan 0.000 0.495 140 Y N 1.151 121.496 120.300 0.075 0.000 2.497 140 Y HA 0.122 4.673 4.550 0.000 0.000 0.265 140 Y C 0.413 176.376 175.900 0.105 0.000 1.111 140 Y CA -0.172 57.989 58.100 0.101 0.000 1.288 140 Y CB 0.354 38.867 38.460 0.087 0.000 1.082 140 Y HN -0.196 nan 8.280 nan 0.000 0.536 141 R N 0.371 120.982 120.500 0.186 0.000 2.585 141 R HA 0.080 4.420 4.340 0.001 0.000 0.275 141 R C 1.345 177.684 176.300 0.065 0.000 1.018 141 R CA 0.993 57.157 56.100 0.106 0.000 1.072 141 R CB -0.177 30.105 30.300 -0.029 0.000 0.953 141 R HN 0.517 nan 8.270 nan 0.000 0.419 142 G N 2.103 110.945 108.800 0.069 0.000 2.244 142 G HA2 -0.337 3.623 3.960 0.001 0.000 0.274 142 G HA3 -0.337 3.623 3.960 0.001 0.000 0.274 142 G C 0.004 174.925 174.900 0.036 0.000 1.002 142 G CA 0.655 45.784 45.100 0.048 0.000 0.740 142 G HN 0.398 nan 8.290 nan 0.000 0.516 143 K N -0.008 120.421 120.400 0.048 0.000 2.154 143 K HA 0.606 4.926 4.320 0.001 0.000 0.264 143 K C 1.045 177.659 176.600 0.023 0.000 1.008 143 K CA -0.433 55.862 56.287 0.013 0.000 0.937 143 K CB 0.464 32.944 32.500 -0.032 0.000 1.002 143 K HN 0.330 nan 8.250 nan 0.000 0.469 144 R N 1.721 122.221 120.500 -0.001 0.000 2.457 144 R HA 0.179 4.519 4.340 0.001 0.000 0.284 144 R C 0.983 177.278 176.300 -0.008 0.000 1.024 144 R CA -0.469 55.626 56.100 -0.007 0.000 1.025 144 R CB 0.780 31.070 30.300 -0.018 0.000 1.063 144 R HN 0.524 nan 8.270 nan 0.000 0.493 145 K N 0.399 120.775 120.400 -0.041 0.000 2.103 145 K HA -0.158 4.162 4.320 0.001 0.000 0.207 145 K C 1.727 178.295 176.600 -0.055 0.000 1.048 145 K CA 2.253 58.485 56.287 -0.090 0.000 0.930 145 K CB -0.064 32.224 32.500 -0.353 0.000 0.716 145 K HN 0.702 nan 8.250 nan 0.000 0.444 146 T N -1.694 112.823 114.554 -0.063 0.000 3.085 146 T HA -0.060 4.291 4.350 0.001 0.000 0.263 146 T C 1.660 176.350 174.700 -0.016 0.000 1.127 146 T CA 0.748 62.830 62.100 -0.030 0.000 1.103 146 T CB 0.184 69.029 68.868 -0.039 0.000 0.921 146 T HN 0.301 nan 8.240 nan 0.000 0.510 147 E N 0.051 120.236 120.200 -0.025 0.000 2.318 147 E HA 0.278 4.629 4.350 0.001 0.000 0.193 147 E C 0.329 176.882 176.600 -0.078 0.000 0.998 147 E CA 0.037 56.410 56.400 -0.045 0.000 0.859 147 E CB 0.274 29.948 29.700 -0.043 0.000 0.812 147 E HN 0.636 nan 8.360 nan 0.000 0.492 148 I N 0.389 120.919 120.570 -0.067 0.000 2.802 148 I HA 0.326 4.496 4.170 0.001 0.000 0.298 148 I C -2.562 173.566 176.117 0.019 0.000 1.176 148 I CA -3.057 58.153 61.300 -0.149 0.000 1.025 148 I CB 2.010 39.797 38.000 -0.355 0.000 1.243 148 I HN -0.155 nan 8.210 nan 0.000 0.424 149 P HA 0.013 nan 4.420 nan 0.000 0.269 149 P C -2.571 174.930 177.300 0.335 0.000 1.185 149 P CA -0.250 62.942 63.100 0.153 0.000 0.769 149 P CB -0.316 31.455 31.700 0.118 0.000 0.809 150 P HA 0.068 nan 4.420 nan 0.000 0.267 150 P C -0.614 176.653 177.300 -0.056 0.000 1.205 150 P CA 1.041 64.002 63.100 -0.232 0.000 0.765 150 P CB 0.326 31.609 31.700 -0.695 0.000 0.828 151 H N 2.427 121.337 119.070 -0.267 0.000 3.112 151 H HA 0.096 4.652 4.556 0.001 0.000 0.347 151 H C 0.199 175.040 175.328 -0.812 0.000 1.188 151 H CA -0.635 55.013 56.048 -0.666 0.000 1.240 151 H CB 1.261 30.542 29.762 -0.801 0.000 1.920 151 H HN 0.200 nan 8.280 nan 0.000 0.535 152 L N 3.572 124.091 121.223 -1.172 0.000 2.189 152 L HA -0.116 4.225 4.340 0.001 0.000 0.214 152 L C 1.141 177.874 176.870 -0.228 0.000 1.097 152 L CA 1.713 56.171 54.840 -0.636 0.000 0.764 152 L CB -0.702 40.965 42.059 -0.653 0.000 0.900 152 L HN 0.451 nan 8.230 nan 0.000 0.436 153 F N -0.595 119.174 119.950 -0.303 0.000 2.186 153 F HA -0.094 4.434 4.527 0.001 0.000 0.299 153 F C 2.660 178.084 175.800 -0.627 0.000 1.090 153 F CA 1.153 58.668 58.000 -0.807 0.000 1.307 153 F CB -1.379 36.879 39.000 -1.235 0.000 1.019 153 F HN 0.074 nan 8.300 nan 0.000 0.489 154 S N -0.255 115.419 115.700 -0.043 0.000 2.423 154 S HA -0.098 4.373 4.470 0.001 0.000 0.231 154 S C 2.367 176.987 174.600 0.034 0.000 1.014 154 S CA 0.887 59.172 58.200 0.140 0.000 0.965 154 S CB -0.356 63.068 63.200 0.372 0.000 0.785 154 S HN 0.136 nan 8.310 nan 0.000 0.495 155 V N 1.815 121.734 119.914 0.009 0.000 2.323 155 V HA -0.132 3.988 4.120 0.001 0.000 0.244 155 V C 2.646 178.656 176.094 -0.140 0.000 1.041 155 V CA 1.600 63.887 62.300 -0.021 0.000 1.025 155 V CB -1.197 30.648 31.823 0.036 0.000 0.656 155 V HN 0.520 nan 8.190 nan 0.000 0.451 156 A N -0.178 122.553 122.820 -0.147 0.000 1.883 156 A HA -0.307 4.013 4.320 0.001 0.000 0.217 156 A C 2.199 179.742 177.584 -0.069 0.000 1.186 156 A CA 2.102 54.066 52.037 -0.122 0.000 0.624 156 A CB -0.760 18.157 19.000 -0.138 0.000 0.822 156 A HN 0.551 nan 8.150 nan 0.000 0.444 157 D N -0.387 119.952 120.400 -0.102 0.000 2.097 157 D HA -0.192 4.449 4.640 0.001 0.000 0.195 157 D C 1.789 178.117 176.300 0.047 0.000 0.989 157 D CA 1.631 55.683 54.000 0.087 0.000 0.827 157 D CB -0.313 40.557 40.800 0.115 0.000 0.966 157 D HN 0.474 nan 8.370 nan 0.000 0.456 158 N N 0.007 118.681 118.700 -0.043 0.000 2.205 158 N HA -0.135 4.606 4.740 0.001 0.000 0.186 158 N C 1.630 177.022 175.510 -0.196 0.000 1.015 158 N CA 1.659 54.660 53.050 -0.081 0.000 0.862 158 N CB -0.147 38.291 38.487 -0.081 0.000 0.986 158 N HN 0.156 nan 8.380 nan 0.000 0.429 159 A N -0.705 121.899 122.820 -0.360 0.000 1.898 159 A HA -0.142 4.178 4.320 0.001 0.000 0.216 159 A C 2.128 179.573 177.584 -0.231 0.000 1.181 159 A CA 1.226 52.957 52.037 -0.509 0.000 0.620 159 A CB -1.127 17.551 19.000 -0.536 0.000 0.819 159 A HN 0.581 nan 8.150 nan 0.000 0.442 160 Y N 0.472 120.637 120.300 -0.224 0.000 2.163 160 Y HA -0.224 4.326 4.550 0.001 0.000 0.288 160 Y C 2.557 178.331 175.900 -0.209 0.000 1.136 160 Y CA 2.263 60.217 58.100 -0.244 0.000 1.147 160 Y CB -0.390 37.976 38.460 -0.157 0.000 0.987 160 Y HN 0.416 nan 8.280 nan 0.000 0.509 161 Q N 0.173 119.956 119.800 -0.028 0.000 2.061 161 Q HA -0.249 4.091 4.340 0.001 0.000 0.204 161 Q C 1.963 177.853 176.000 -0.182 0.000 0.984 161 Q CA 2.106 57.864 55.803 -0.075 0.000 0.846 161 Q CB -0.390 28.352 28.738 0.007 0.000 0.902 161 Q HN 0.672 nan 8.270 nan 0.000 0.421 162 N N 0.148 118.750 118.700 -0.164 0.000 2.244 162 N HA -0.124 4.617 4.740 0.001 0.000 0.183 162 N C 1.828 177.194 175.510 -0.240 0.000 1.016 162 N CA 0.761 53.724 53.050 -0.143 0.000 0.866 162 N CB -0.079 38.358 38.487 -0.083 0.000 0.980 162 N HN 0.238 nan 8.380 nan 0.000 0.430 163 M N 1.337 120.725 119.600 -0.352 0.000 2.117 163 M HA -0.126 4.354 4.480 0.001 0.000 0.262 163 M C 2.128 178.054 176.300 -0.623 0.000 1.065 163 M CA 1.486 56.495 55.300 -0.484 0.000 1.114 163 M CB 0.026 32.308 32.600 -0.530 0.000 1.361 163 M HN 0.112 nan 8.290 nan 0.000 0.408 164 V N -2.708 116.862 119.914 -0.574 0.000 2.407 164 V HA -0.101 4.020 4.120 0.001 0.000 0.245 164 V C 1.976 177.890 176.094 -0.300 0.000 1.041 164 V CA 2.044 64.082 62.300 -0.436 0.000 1.040 164 V CB -1.560 30.044 31.823 -0.365 0.000 0.671 164 V HN 0.469 nan 8.190 nan 0.000 0.455 165 T N 1.130 115.537 114.554 -0.244 0.000 2.643 165 T HA -0.142 4.208 4.350 0.001 0.000 0.264 165 T C 1.593 176.200 174.700 -0.155 0.000 1.045 165 T CA 2.119 64.125 62.100 -0.157 0.000 1.155 165 T CB -0.496 68.304 68.868 -0.113 0.000 0.863 165 T HN 0.611 nan 8.240 nan 0.000 0.420 166 D N 0.521 120.816 120.400 -0.174 0.000 2.347 166 D HA 0.073 4.713 4.640 0.001 0.000 0.213 166 D C 0.450 176.622 176.300 -0.213 0.000 0.985 166 D CA 0.148 54.062 54.000 -0.144 0.000 0.879 166 D CB -0.072 40.676 40.800 -0.087 0.000 0.919 166 D HN 0.346 nan 8.370 nan 0.000 0.526 167 R N 1.065 121.324 120.500 -0.403 0.000 3.261 167 R HA -0.176 4.164 4.340 0.001 0.000 0.257 167 R C -0.517 175.513 176.300 -0.451 0.000 1.014 167 R CA 0.614 56.331 56.100 -0.639 0.000 0.681 167 R CB -2.213 27.943 30.300 -0.239 0.000 1.155 167 R HN 0.487 nan 8.270 nan 0.000 0.424 168 E N -0.348 119.591 120.200 -0.435 0.000 2.356 168 E HA 0.369 4.719 4.350 0.001 0.000 0.275 168 E C -0.904 175.568 176.600 -0.213 0.000 0.904 168 E CA -1.242 55.037 56.400 -0.203 0.000 0.757 168 E CB 1.193 30.835 29.700 -0.097 0.000 1.232 168 E HN 0.007 nan 8.360 nan 0.000 0.442 169 N N 2.332 120.921 118.700 -0.185 0.000 2.479 169 N HA 0.068 4.809 4.740 0.001 0.000 0.257 169 N C -0.392 174.990 175.510 -0.213 0.000 1.232 169 N CA -0.022 52.826 53.050 -0.338 0.000 0.920 169 N CB 0.677 38.710 38.487 -0.757 0.000 1.105 169 N HN 0.493 nan 8.380 nan 0.000 0.444 170 Q N 0.132 119.829 119.800 -0.172 0.000 2.306 170 Q HA 0.582 4.923 4.340 0.001 0.000 0.269 170 Q C -0.456 175.582 176.000 0.063 0.000 1.053 170 Q CA -0.762 55.029 55.803 -0.019 0.000 0.879 170 Q CB 1.773 30.529 28.738 0.030 0.000 1.344 170 Q HN 0.712 nan 8.270 nan 0.000 0.464 171 S N -1.241 114.529 115.700 0.117 0.000 2.603 171 S HA 0.460 4.931 4.470 0.001 0.000 0.274 171 S C -0.904 173.740 174.600 0.074 0.000 1.168 171 S CA -0.791 57.494 58.200 0.142 0.000 0.963 171 S CB 0.436 63.708 63.200 0.119 0.000 1.078 171 S HN 0.550 nan 8.310 nan 0.000 0.477 172 C N 4.543 123.896 119.300 0.089 0.000 2.239 172 C HA 0.524 4.984 4.460 0.001 0.000 0.325 172 C C 0.121 175.113 174.990 0.004 0.000 1.231 172 C CA -0.730 58.313 59.018 0.042 0.000 1.652 172 C CB -1.099 26.677 27.740 0.060 0.000 2.284 172 C HN 0.798 nan 8.230 nan 0.000 0.499 173 L N 5.348 126.497 121.223 -0.124 0.000 2.264 173 L HA 0.553 4.894 4.340 0.001 0.000 0.289 173 L C -0.237 176.667 176.870 0.057 0.000 1.044 173 L CA -0.140 54.655 54.840 -0.076 0.000 0.807 173 L CB 0.527 42.455 42.059 -0.218 0.000 1.192 173 L HN 0.554 nan 8.230 nan 0.000 0.425 174 I N 3.137 123.749 120.570 0.069 0.000 2.359 174 I HA 0.245 4.415 4.170 0.001 0.000 0.284 174 I C 0.630 176.787 176.117 0.065 0.000 1.018 174 I CA -0.246 61.104 61.300 0.083 0.000 1.173 174 I CB 1.675 39.717 38.000 0.069 0.000 1.326 174 I HN 0.638 nan 8.210 nan 0.000 0.462 175 T N 2.246 116.839 114.554 0.065 0.000 2.936 175 T HA 0.931 5.281 4.350 0.001 0.000 0.282 175 T C 0.050 174.763 174.700 0.021 0.000 1.003 175 T CA -0.614 61.504 62.100 0.029 0.000 1.005 175 T CB 2.178 71.030 68.868 -0.025 0.000 1.097 175 T HN 0.925 nan 8.240 nan 0.000 0.532 176 G N 0.378 109.200 108.800 0.038 0.000 2.350 176 G HA2 0.322 4.282 3.960 0.001 0.000 0.305 176 G HA3 0.322 4.282 3.960 0.001 0.000 0.305 176 G C -1.307 173.646 174.900 0.088 0.000 1.479 176 G CA -1.002 44.126 45.100 0.045 0.000 0.949 176 G HN 0.853 nan 8.290 nan 0.000 0.651 177 E N 0.026 120.283 120.200 0.094 0.000 2.391 177 E HA 0.411 4.762 4.350 0.001 0.000 0.255 177 E C 0.712 177.375 176.600 0.106 0.000 1.187 177 E CA -0.159 56.330 56.400 0.149 0.000 0.941 177 E CB 0.943 30.732 29.700 0.148 0.000 1.010 177 E HN 0.472 nan 8.360 nan 0.000 0.458 178 S N 0.086 115.848 115.700 0.104 0.000 2.575 178 S HA 0.150 4.621 4.470 0.001 0.000 0.295 178 S C 1.057 175.708 174.600 0.085 0.000 1.267 178 S CA 0.916 59.161 58.200 0.076 0.000 1.074 178 S CB -0.377 62.864 63.200 0.069 0.000 0.829 178 S HN 0.781 nan 8.310 nan 0.000 0.497 179 G N 3.307 112.150 108.800 0.072 0.000 2.179 179 G HA2 -0.261 3.700 3.960 0.001 0.000 0.260 179 G HA3 -0.261 3.700 3.960 0.001 0.000 0.260 179 G C 0.906 175.824 174.900 0.031 0.000 0.977 179 G CA 0.398 45.544 45.100 0.076 0.000 0.641 179 G HN 1.460 nan 8.290 nan 0.000 0.533 180 A N -0.191 122.641 122.820 0.019 0.000 2.121 180 A HA 0.497 4.817 4.320 0.001 0.000 0.218 180 A C 2.494 180.036 177.584 -0.069 0.000 1.154 180 A CA 2.205 54.231 52.037 -0.019 0.000 0.679 180 A CB -0.378 18.625 19.000 0.005 0.000 0.795 180 A HN 2.515 nan 8.150 nan 0.000 0.458 181 G N -1.148 107.619 108.800 -0.056 0.000 2.155 181 G HA2 -0.166 3.795 3.960 0.001 0.000 0.135 181 G HA3 -0.166 3.795 3.960 0.001 0.000 0.135 181 G C 0.670 175.556 174.900 -0.022 0.000 1.023 181 G CA 0.422 45.481 45.100 -0.068 0.000 0.688 181 G HN 0.434 nan 8.290 nan 0.000 0.499 182 K N -0.329 120.069 120.400 -0.004 0.000 1.973 182 K HA -0.053 4.267 4.320 0.001 0.000 0.212 182 K C 2.575 179.179 176.600 0.007 0.000 1.047 182 K CA 1.881 58.175 56.287 0.011 0.000 0.937 182 K CB -0.416 32.090 32.500 0.011 0.000 0.721 182 K HN 0.228 nan 8.250 nan 0.000 0.440 183 T N 1.705 116.258 114.554 -0.002 0.000 2.665 183 T HA -0.158 4.192 4.350 0.001 0.000 0.268 183 T C 1.710 176.408 174.700 -0.003 0.000 1.035 183 T CA 1.423 63.523 62.100 0.000 0.000 1.151 183 T CB -0.190 68.684 68.868 0.010 0.000 0.862 183 T HN 0.211 nan 8.240 nan 0.000 0.438 184 E N 1.233 121.421 120.200 -0.021 0.000 2.085 184 E HA -0.101 4.249 4.350 0.001 0.000 0.194 184 E C 2.261 178.832 176.600 -0.047 0.000 0.994 184 E CA 0.910 57.277 56.400 -0.054 0.000 0.801 184 E CB -0.462 29.187 29.700 -0.086 0.000 0.743 184 E HN 0.521 nan 8.360 nan 0.000 0.453 185 N N 0.096 118.794 118.700 -0.003 0.000 2.216 185 N HA -0.073 4.667 4.740 0.001 0.000 0.183 185 N C 1.793 177.332 175.510 0.048 0.000 1.017 185 N CA 1.271 54.347 53.050 0.043 0.000 0.861 185 N CB -0.176 38.363 38.487 0.087 0.000 0.986 185 N HN 0.151 nan 8.380 nan 0.000 0.428 186 T N 1.903 116.479 114.554 0.037 0.000 2.684 186 T HA -0.114 4.236 4.350 0.001 0.000 0.267 186 T C 1.898 176.625 174.700 0.045 0.000 1.036 186 T CA 1.174 63.300 62.100 0.042 0.000 1.148 186 T CB -0.072 68.814 68.868 0.029 0.000 0.863 186 T HN 0.287 nan 8.240 nan 0.000 0.436 187 K N 0.828 121.243 120.400 0.026 0.000 2.020 187 K HA -0.117 4.203 4.320 0.001 0.000 0.212 187 K C 2.475 179.112 176.600 0.061 0.000 1.050 187 K CA 1.125 57.427 56.287 0.024 0.000 0.929 187 K CB -0.076 32.419 32.500 -0.009 0.000 0.714 187 K HN 0.107 nan 8.250 nan 0.000 0.443 188 K N 0.721 121.161 120.400 0.066 0.000 2.103 188 K HA -0.102 4.218 4.320 0.001 0.000 0.207 188 K C 2.171 178.972 176.600 0.334 0.000 1.048 188 K CA 0.948 57.357 56.287 0.204 0.000 0.930 188 K CB -0.582 32.018 32.500 0.168 0.000 0.716 188 K HN 0.021 nan 8.250 nan 0.000 0.444 189 V N 1.669 121.716 119.914 0.222 0.000 2.343 189 V HA -0.196 3.924 4.120 0.001 0.000 0.247 189 V C 2.330 178.549 176.094 0.207 0.000 1.051 189 V CA 1.422 63.851 62.300 0.216 0.000 1.036 189 V CB -0.337 31.560 31.823 0.123 0.000 0.654 189 V HN 0.194 nan 8.190 nan 0.000 0.451 190 I N -0.728 119.925 120.570 0.139 0.000 2.353 190 I HA -0.261 3.910 4.170 0.001 0.000 0.248 190 I C 2.449 178.620 176.117 0.090 0.000 1.119 190 I CA 1.668 63.025 61.300 0.095 0.000 1.417 190 I CB -0.245 37.780 38.000 0.043 0.000 1.078 190 I HN 0.335 nan 8.210 nan 0.000 0.421 191 M N -0.026 119.641 119.600 0.112 0.000 2.132 191 M HA -0.284 4.196 4.480 0.001 0.000 0.263 191 M C 2.500 178.835 176.300 0.057 0.000 1.065 191 M CA 1.999 57.347 55.300 0.081 0.000 1.122 191 M CB -0.290 32.378 32.600 0.115 0.000 1.365 191 M HN 0.233 nan 8.290 nan 0.000 0.411 192 Y N 1.260 121.553 120.300 -0.012 0.000 2.145 192 Y HA -0.197 4.353 4.550 0.001 0.000 0.286 192 Y C 1.825 177.642 175.900 -0.140 0.000 1.145 192 Y CA 1.922 59.905 58.100 -0.195 0.000 1.148 192 Y CB -0.383 37.909 38.460 -0.279 0.000 0.981 192 Y HN 0.216 nan 8.280 nan 0.000 0.507 193 L N -0.255 121.049 121.223 0.135 0.000 2.131 193 L HA -0.174 4.167 4.340 0.001 0.000 0.210 193 L C 2.668 179.517 176.870 -0.034 0.000 1.092 193 L CA 1.041 55.934 54.840 0.089 0.000 0.759 193 L CB -0.892 41.317 42.059 0.250 0.000 0.903 193 L HN 0.341 nan 8.230 nan 0.000 0.435 194 A N -0.193 122.597 122.820 -0.050 0.000 2.119 194 A HA -0.115 4.206 4.320 0.001 0.000 0.217 194 A C 2.097 179.600 177.584 -0.135 0.000 1.153 194 A CA 1.103 53.092 52.037 -0.081 0.000 0.692 194 A CB -0.150 18.815 19.000 -0.058 0.000 0.799 194 A HN 0.338 nan 8.150 nan 0.000 0.458 195 K N -0.589 119.681 120.400 -0.216 0.000 2.358 195 K HA 0.155 4.475 4.320 0.001 0.000 0.197 195 K C 0.957 177.360 176.600 -0.328 0.000 1.025 195 K CA 0.804 56.941 56.287 -0.251 0.000 1.104 195 K CB 0.741 33.084 32.500 -0.261 0.000 0.855 195 K HN 0.447 nan 8.250 nan 0.000 0.531 196 V N -4.846 114.833 119.914 -0.393 0.000 3.451 196 V HA 0.421 4.542 4.120 0.001 0.000 0.288 196 V C 0.992 176.900 176.094 -0.309 0.000 1.502 196 V CA 0.206 62.258 62.300 -0.413 0.000 1.026 196 V CB 0.964 32.402 31.823 -0.642 0.000 0.840 196 V HN 0.009 nan 8.190 nan 0.000 0.437 197 A N 0.510 123.215 122.820 -0.191 0.000 2.545 197 A HA 0.456 4.776 4.320 0.001 0.000 0.263 197 A C 0.953 178.534 177.584 -0.004 0.000 1.202 197 A CA 0.458 52.485 52.037 -0.016 0.000 0.959 197 A CB -0.839 18.340 19.000 0.299 0.000 1.124 197 A HN 0.887 nan 8.150 nan 0.000 0.543 198 C N -0.414 118.843 119.300 -0.070 0.000 2.689 198 C HA 0.713 5.173 4.460 0.001 0.000 0.409 198 C C 0.979 175.943 174.990 -0.044 0.000 1.293 198 C CA -0.648 58.329 59.018 -0.068 0.000 2.136 198 C CB -0.284 27.407 27.740 -0.082 0.000 2.719 198 C HN 0.725 nan 8.230 nan 0.000 0.644 199 A N 2.469 125.265 122.820 -0.041 0.000 2.248 199 A HA 0.825 5.145 4.320 0.001 0.000 0.316 199 A C 0.388 177.953 177.584 -0.031 0.000 1.101 199 A CA -0.002 52.019 52.037 -0.026 0.000 0.875 199 A CB 0.315 19.301 19.000 -0.023 0.000 1.207 199 A HN 2.064 nan 8.150 nan 0.000 0.504 212 E N 0.849 121.055 120.200 0.009 0.000 2.289 212 E HA 0.484 4.835 4.350 0.001 0.000 0.278 212 E C 0.603 177.199 176.600 -0.006 0.000 1.032 212 E CA 0.175 56.580 56.400 0.008 0.000 0.854 212 E CB 1.098 30.804 29.700 0.009 0.000 1.046 212 E HN 0.610 nan 8.360 nan 0.000 0.409 213 G N 2.436 111.228 108.800 -0.012 0.000 2.563 213 G HA2 0.192 4.152 3.960 0.001 0.000 0.283 213 G HA3 0.192 4.152 3.960 0.001 0.000 0.283 213 G C -0.019 174.864 174.900 -0.029 0.000 1.309 213 G CA -0.099 44.988 45.100 -0.022 0.000 1.022 213 G HN 0.664 nan 8.290 nan 0.000 0.501 214 S N -1.128 114.551 115.700 -0.035 0.000 2.634 214 S HA 0.086 4.556 4.470 0.001 0.000 0.254 214 S C 1.545 176.116 174.600 -0.049 0.000 1.299 214 S CA -0.175 58.000 58.200 -0.041 0.000 0.974 214 S CB 0.571 63.744 63.200 -0.044 0.000 1.001 214 S HN 0.496 nan 8.310 nan 0.000 0.584 215 L N 1.106 122.295 121.223 -0.057 0.000 1.994 215 L HA 0.009 4.350 4.340 0.001 0.000 0.208 215 L C 2.413 179.240 176.870 -0.070 0.000 1.071 215 L CA 2.075 56.875 54.840 -0.066 0.000 0.745 215 L CB -1.657 40.356 42.059 -0.076 0.000 0.892 215 L HN 0.813 nan 8.230 nan 0.000 0.431 216 E N 0.227 120.384 120.200 -0.072 0.000 2.026 216 E HA -0.266 4.084 4.350 0.001 0.000 0.206 216 E C 1.874 178.437 176.600 -0.062 0.000 1.028 216 E CA 1.828 58.185 56.400 -0.072 0.000 0.845 216 E CB -0.807 28.850 29.700 -0.072 0.000 0.772 216 E HN 0.501 nan 8.360 nan 0.000 0.462 217 D N 0.501 120.868 120.400 -0.055 0.000 2.170 217 D HA -0.225 4.415 4.640 0.001 0.000 0.193 217 D C 1.966 178.233 176.300 -0.054 0.000 1.004 217 D CA 1.531 55.502 54.000 -0.049 0.000 0.860 217 D CB -0.426 40.349 40.800 -0.042 0.000 0.931 217 D HN 0.342 nan 8.370 nan 0.000 0.448 218 Q N -0.516 119.250 119.800 -0.057 0.000 2.119 218 Q HA -0.078 4.262 4.340 0.001 0.000 0.201 218 Q C 2.217 178.171 176.000 -0.076 0.000 0.972 218 Q CA 0.479 56.243 55.803 -0.065 0.000 0.847 218 Q CB 0.087 28.790 28.738 -0.058 0.000 0.903 218 Q HN 0.294 nan 8.270 nan 0.000 0.433 219 I N 0.767 121.294 120.570 -0.073 0.000 2.226 219 I HA -0.259 3.912 4.170 0.001 0.000 0.245 219 I C 2.183 178.261 176.117 -0.064 0.000 1.100 219 I CA 1.516 62.772 61.300 -0.073 0.000 1.374 219 I CB -0.820 37.138 38.000 -0.071 0.000 1.057 219 I HN 0.272 nan 8.210 nan 0.000 0.413 220 I N 0.071 120.607 120.570 -0.055 0.000 2.353 220 I HA -0.240 3.930 4.170 0.001 0.000 0.248 220 I C 2.274 178.356 176.117 -0.058 0.000 1.119 220 I CA 0.874 62.148 61.300 -0.044 0.000 1.417 220 I CB -0.363 37.616 38.000 -0.035 0.000 1.078 220 I HN 0.242 nan 8.210 nan 0.000 0.421 221 Q N 0.604 120.358 119.800 -0.077 0.000 2.435 221 Q HA 0.052 4.392 4.340 0.001 0.000 0.207 221 Q C 2.256 178.163 176.000 -0.154 0.000 0.956 221 Q CA 0.975 56.715 55.803 -0.106 0.000 0.917 221 Q CB -0.130 28.543 28.738 -0.109 0.000 0.997 221 Q HN 0.507 nan 8.270 nan 0.000 0.497 222 A N 1.177 123.915 122.820 -0.137 0.000 2.067 222 A HA -0.150 4.170 4.320 0.001 0.000 0.219 222 A C 1.753 179.256 177.584 -0.135 0.000 1.158 222 A CA 0.978 52.914 52.037 -0.169 0.000 0.661 222 A CB -0.165 18.755 19.000 -0.133 0.000 0.801 222 A HN 0.287 nan 8.150 nan 0.000 0.452 223 N N 0.258 118.912 118.700 -0.076 0.000 2.109 223 N HA -0.074 4.667 4.740 0.001 0.000 0.188 223 N C -0.835 174.671 175.510 -0.007 0.000 1.034 223 N CA 1.422 54.463 53.050 -0.015 0.000 0.846 223 N CB -1.772 36.719 38.487 0.007 0.000 1.010 223 N HN 0.253 nan 8.380 nan 0.000 0.425 224 P HA -0.129 nan 4.420 nan 0.000 0.218 224 P C 1.893 179.183 177.300 -0.016 0.000 1.146 224 P CA 0.988 64.079 63.100 -0.014 0.000 0.813 224 P CB 0.013 31.689 31.700 -0.041 0.000 0.778 225 V N -3.815 116.012 119.914 -0.145 0.000 2.379 225 V HA -0.094 4.026 4.120 0.001 0.000 0.243 225 V C 2.111 178.192 176.094 -0.021 0.000 1.035 225 V CA 1.182 63.372 62.300 -0.183 0.000 1.035 225 V CB -1.699 29.684 31.823 -0.733 0.000 0.673 225 V HN -0.031 nan 8.190 nan 0.000 0.457 226 L N 0.326 121.482 121.223 -0.112 0.000 2.127 226 L HA -0.125 4.216 4.340 0.001 0.000 0.211 226 L C 3.001 179.958 176.870 0.145 0.000 1.089 226 L CA 2.141 56.919 54.840 -0.102 0.000 0.757 226 L CB -0.711 41.287 42.059 -0.101 0.000 0.899 226 L HN 0.459 nan 8.230 nan 0.000 0.434 227 E N 0.151 120.486 120.200 0.225 0.000 2.107 227 E HA -0.162 4.188 4.350 0.001 0.000 0.191 227 E C 2.320 179.130 176.600 0.350 0.000 0.982 227 E CA 1.062 57.664 56.400 0.337 0.000 0.809 227 E CB -0.084 29.785 29.700 0.280 0.000 0.756 227 E HN 0.492 nan 8.360 nan 0.000 0.459 228 A N 0.730 123.724 122.820 0.290 0.000 1.933 228 A HA -0.180 4.140 4.320 0.001 0.000 0.218 228 A C 1.650 179.336 177.584 0.170 0.000 1.175 228 A CA 1.300 53.497 52.037 0.267 0.000 0.628 228 A CB -0.553 18.586 19.000 0.232 0.000 0.814 228 A HN 0.245 nan 8.150 nan 0.000 0.444 229 Y N -1.205 119.189 120.300 0.156 0.000 2.503 229 Y HA 0.246 4.796 4.550 0.001 0.000 0.278 229 Y C 2.388 178.238 175.900 -0.082 0.000 1.111 229 Y CA 0.552 58.716 58.100 0.106 0.000 1.270 229 Y CB 0.097 38.582 38.460 0.041 0.000 1.063 229 Y HN 0.331 nan 8.280 nan 0.000 0.548 230 G N -1.206 107.695 108.800 0.169 0.000 3.159 230 G HA2 0.073 4.034 3.960 0.001 0.000 0.232 230 G HA3 0.073 4.034 3.960 0.001 0.000 0.232 230 G C -0.010 175.177 174.900 0.478 0.000 1.116 230 G CA -0.114 44.972 45.100 -0.022 0.000 0.767 230 G HN 0.073 nan 8.290 nan 0.000 0.547 231 N N 0.174 119.149 118.700 0.458 0.000 2.432 231 N HA 0.809 5.550 4.740 0.001 0.000 0.292 231 N C -0.596 174.848 175.510 -0.110 0.000 1.193 231 N CA -0.088 53.134 53.050 0.286 0.000 0.878 231 N CB 2.106 40.780 38.487 0.311 0.000 1.252 231 N HN 0.209 nan 8.380 nan 0.000 0.520 232 A N -0.074 122.549 122.820 -0.328 0.000 2.583 232 A HA 0.318 4.638 4.320 0.001 0.000 0.298 232 A C -0.852 176.592 177.584 -0.233 0.000 1.055 232 A CA -0.835 50.899 52.037 -0.506 0.000 0.714 232 A CB 0.910 19.657 19.000 -0.422 0.000 1.277 232 A HN 0.532 nan 8.150 nan 0.000 0.406 233 K N 0.855 121.165 120.400 -0.149 0.000 2.518 233 K HA 0.340 4.660 4.320 0.001 0.000 0.276 233 K C -0.497 176.052 176.600 -0.085 0.000 0.974 233 K CA 0.991 57.248 56.287 -0.049 0.000 0.986 233 K CB 0.260 32.721 32.500 -0.065 0.000 0.901 233 K HN 0.715 nan 8.250 nan 0.000 0.497 234 T N 1.332 115.854 114.554 -0.052 0.000 2.843 234 T HA 0.136 4.487 4.350 0.001 0.000 0.302 234 T C 0.715 175.360 174.700 -0.093 0.000 1.232 234 T CA -0.573 61.477 62.100 -0.083 0.000 1.009 234 T CB 1.595 70.486 68.868 0.038 0.000 1.254 234 T HN 0.691 nan 8.240 nan 0.000 0.504 235 T N 1.139 115.581 114.554 -0.186 0.000 2.803 235 T HA -0.105 4.245 4.350 0.001 0.000 0.269 235 T C 1.874 176.552 174.700 -0.036 0.000 1.052 235 T CA 0.902 62.919 62.100 -0.138 0.000 1.136 235 T CB 0.040 68.780 68.868 -0.212 0.000 0.864 235 T HN 0.220 nan 8.240 nan 0.000 0.467 236 R N 0.984 121.502 120.500 0.030 0.000 2.140 236 R HA 0.251 4.591 4.340 0.001 0.000 0.213 236 R C 0.375 176.731 176.300 0.094 0.000 1.059 236 R CA 0.419 56.568 56.100 0.081 0.000 1.000 236 R CB -0.218 30.165 30.300 0.137 0.000 0.910 236 R HN 0.297 nan 8.270 nan 0.000 0.455 237 N N -0.085 118.666 118.700 0.086 0.000 2.371 237 N HA 0.131 4.871 4.740 0.001 0.000 0.291 237 N C -0.517 175.042 175.510 0.081 0.000 1.053 237 N CA -0.199 52.911 53.050 0.100 0.000 0.870 237 N CB 1.063 39.614 38.487 0.105 0.000 1.503 237 N HN -0.073 nan 8.380 nan 0.000 0.485 238 N N 1.542 120.296 118.700 0.089 0.000 2.459 238 N HA -0.042 4.698 4.740 0.001 0.000 0.181 238 N C 0.173 175.780 175.510 0.160 0.000 1.046 238 N CA 0.457 53.559 53.050 0.087 0.000 0.904 238 N CB 0.184 38.712 38.487 0.068 0.000 0.964 238 N HN 0.523 nan 8.380 nan 0.000 0.444 239 N N 0.407 119.209 118.700 0.171 0.000 2.571 239 N HA 0.019 4.760 4.740 0.001 0.000 0.298 239 N C -1.025 174.597 175.510 0.186 0.000 1.671 239 N CA -0.132 53.080 53.050 0.270 0.000 0.900 239 N CB 0.449 39.066 38.487 0.216 0.000 1.365 239 N HN -0.089 nan 8.380 nan 0.000 0.493 240 S N 0.293 116.069 115.700 0.127 0.000 2.552 240 S HA -0.001 4.469 4.470 0.001 0.000 0.289 240 S C 0.165 174.847 174.600 0.137 0.000 1.304 240 S CA 0.159 58.424 58.200 0.109 0.000 1.063 240 S CB 0.760 64.017 63.200 0.096 0.000 0.848 240 S HN 0.331 nan 8.310 nan 0.000 0.499 241 S N 3.940 119.710 115.700 0.117 0.000 2.416 241 S HA 0.323 4.793 4.470 0.001 0.000 0.287 241 S C 0.877 175.561 174.600 0.141 0.000 1.139 241 S CA -0.778 57.498 58.200 0.127 0.000 1.058 241 S CB 0.022 63.184 63.200 -0.063 0.000 0.967 241 S HN 0.715 nan 8.310 nan 0.000 0.495 242 R N 3.460 124.162 120.500 0.337 0.000 2.391 242 R HA 0.195 4.535 4.340 0.001 0.000 0.249 242 R C -0.527 175.970 176.300 0.328 0.000 0.957 242 R CA 0.129 56.409 56.100 0.299 0.000 1.093 242 R CB -0.689 29.850 30.300 0.397 0.000 1.156 242 R HN 0.658 nan 8.270 nan 0.000 0.526 243 F N -3.348 116.641 119.950 0.064 0.000 2.668 243 F HA 0.731 5.259 4.527 0.001 0.000 0.309 243 F C -0.323 175.548 175.800 0.118 0.000 1.117 243 F CA -1.915 56.111 58.000 0.043 0.000 0.951 243 F CB 0.629 39.608 39.000 -0.035 0.000 1.323 243 F HN -0.136 nan 8.300 nan 0.000 0.451 244 G N 1.070 109.894 108.800 0.040 0.000 2.410 244 G HA2 0.634 4.595 3.960 0.001 0.000 0.330 244 G HA3 0.634 4.595 3.960 0.001 0.000 0.330 244 G C -1.838 173.174 174.900 0.186 0.000 1.142 244 G CA -1.132 43.969 45.100 0.003 0.000 0.902 244 G HN 1.015 nan 8.290 nan 0.000 0.491 245 K N 0.154 120.634 120.400 0.133 0.000 2.513 245 K HA 0.592 4.912 4.320 0.001 0.000 0.251 245 K C -2.124 174.678 176.600 0.337 0.000 0.939 245 K CA -0.933 55.507 56.287 0.255 0.000 0.793 245 K CB 2.293 34.905 32.500 0.187 0.000 1.241 245 K HN 0.265 nan 8.250 nan 0.000 0.431 246 F N 4.971 125.046 119.950 0.208 0.000 2.402 246 F HA 0.493 5.021 4.527 0.001 0.000 0.355 246 F C -0.930 174.899 175.800 0.048 0.000 1.123 246 F CA -1.631 56.455 58.000 0.143 0.000 1.021 246 F CB 1.025 40.161 39.000 0.226 0.000 1.160 246 F HN 0.650 nan 8.300 nan 0.000 0.451 247 I N 7.275 127.588 120.570 -0.430 0.000 2.389 247 I HA 0.519 4.689 4.170 0.001 0.000 0.288 247 I C -1.076 174.645 176.117 -0.660 0.000 0.999 247 I CA -0.667 60.378 61.300 -0.425 0.000 1.129 247 I CB 0.843 38.729 38.000 -0.191 0.000 1.288 247 I HN 0.603 nan 8.210 nan 0.000 0.444 248 R N 7.094 127.221 120.500 -0.621 0.000 2.294 248 R HA 0.538 4.878 4.340 0.001 0.000 0.319 248 R C -1.243 174.765 176.300 -0.487 0.000 0.984 248 R CA -0.807 54.897 56.100 -0.659 0.000 0.861 248 R CB 1.650 31.394 30.300 -0.927 0.000 1.104 248 R HN 0.509 nan 8.270 nan 0.000 0.451 249 I N 3.560 123.948 120.570 -0.303 0.000 2.354 249 I HA 0.183 4.353 4.170 0.001 0.000 0.292 249 I C 0.408 176.383 176.117 -0.237 0.000 0.989 249 I CA -0.440 60.724 61.300 -0.227 0.000 1.188 249 I CB 0.863 38.822 38.000 -0.067 0.000 1.342 249 I HN 0.356 nan 8.210 nan 0.000 0.457 250 H N 5.726 124.720 119.070 -0.128 0.000 2.482 250 H HA 0.499 5.056 4.556 0.001 0.000 0.344 250 H C -1.068 174.090 175.328 -0.284 0.000 1.151 250 H CA -0.160 55.873 56.048 -0.024 0.000 1.300 250 H CB 1.307 31.046 29.762 -0.037 0.000 1.494 250 H HN 0.303 nan 8.280 nan 0.000 0.542 251 F N -0.467 119.604 119.950 0.201 0.000 2.565 251 F HA 0.403 4.931 4.527 0.001 0.000 0.313 251 F C 0.911 176.729 175.800 0.030 0.000 1.091 251 F CA -0.632 57.447 58.000 0.131 0.000 0.915 251 F CB 1.857 40.964 39.000 0.178 0.000 1.208 251 F HN 0.574 nan 8.300 nan 0.000 0.453 252 G N 1.789 110.691 108.800 0.169 0.000 2.532 252 G HA2 0.410 4.370 3.960 0.001 0.000 0.291 252 G HA3 0.410 4.370 3.960 0.001 0.000 0.291 252 G C -2.103 172.820 174.900 0.038 0.000 1.349 252 G CA -1.394 43.734 45.100 0.047 0.000 1.038 252 G HN 0.392 nan 8.290 nan 0.000 0.518 253 P HA -0.125 nan 4.420 nan 0.000 0.214 253 P C 2.106 179.446 177.300 0.067 0.000 1.163 253 P CA 2.626 65.730 63.100 0.006 0.000 0.889 253 P CB -0.116 31.582 31.700 -0.004 0.000 0.790 254 T N -4.475 110.123 114.554 0.073 0.000 3.227 254 T HA 0.186 4.536 4.350 0.001 0.000 0.257 254 T C 1.344 176.137 174.700 0.154 0.000 1.162 254 T CA 0.503 62.657 62.100 0.091 0.000 1.051 254 T CB -1.475 67.433 68.868 0.066 0.000 0.953 254 T HN 0.326 nan 8.240 nan 0.000 0.535 255 G N 0.371 109.298 108.800 0.212 0.000 2.176 255 G HA2 -0.223 3.737 3.960 0.001 0.000 0.252 255 G HA3 -0.223 3.737 3.960 0.001 0.000 0.252 255 G C -0.143 175.076 174.900 0.531 0.000 1.024 255 G CA 0.187 45.491 45.100 0.339 0.000 0.755 255 G HN 0.679 nan 8.290 nan 0.000 0.507 256 K N -0.756 119.880 120.400 0.393 0.000 2.295 256 K HA 0.764 5.084 4.320 0.001 0.000 0.239 256 K C 0.849 177.511 176.600 0.103 0.000 0.991 256 K CA -1.037 55.423 56.287 0.288 0.000 0.845 256 K CB 1.062 33.629 32.500 0.113 0.000 1.197 256 K HN 0.165 nan 8.250 nan 0.000 0.441 257 I N 1.577 122.064 120.570 -0.138 0.000 2.710 257 I HA 0.095 4.265 4.170 0.001 0.000 0.286 257 I C 0.143 176.130 176.117 -0.216 0.000 1.181 257 I CA 0.420 61.469 61.300 -0.418 0.000 1.430 257 I CB 0.755 38.549 38.000 -0.344 0.000 1.367 257 I HN 0.624 nan 8.210 nan 0.000 0.577 258 A N 5.256 127.948 122.820 -0.213 0.000 3.234 258 A HA 0.678 4.999 4.320 0.001 0.000 0.247 258 A C 0.145 177.677 177.584 -0.086 0.000 0.938 258 A CA 0.176 52.148 52.037 -0.107 0.000 1.039 258 A CB 0.069 19.031 19.000 -0.062 0.000 1.197 258 A HN 1.080 nan 8.150 nan 0.000 0.498 259 G N -0.846 107.899 108.800 -0.092 0.000 2.423 259 G HA2 0.629 4.589 3.960 0.001 0.000 0.684 259 G HA3 0.629 4.589 3.960 0.001 0.000 0.684 259 G C -0.573 174.339 174.900 0.021 0.000 1.309 259 G CA -0.146 44.926 45.100 -0.046 0.000 0.950 259 G HN 2.298 nan 8.290 nan 0.000 0.587 260 A N 0.270 123.119 122.820 0.049 0.000 2.560 260 A HA 0.730 5.051 4.320 0.001 0.000 0.300 260 A C -0.961 176.608 177.584 -0.026 0.000 1.062 260 A CA 0.474 52.516 52.037 0.010 0.000 0.767 260 A CB 1.264 20.212 19.000 -0.086 0.000 1.288 260 A HN 2.133 nan 8.150 nan 0.000 0.396 261 D N 0.398 120.767 120.400 -0.052 0.000 2.423 261 D HA 0.809 5.449 4.640 0.001 0.000 0.235 261 D C -0.503 175.717 176.300 -0.133 0.000 1.011 261 D CA -0.547 53.403 54.000 -0.083 0.000 0.963 261 D CB 1.224 41.998 40.800 -0.044 0.000 1.349 261 D HN 0.483 nan 8.370 nan 0.000 0.508 262 I N -0.493 120.006 120.570 -0.118 0.000 2.647 262 I HA 0.462 4.632 4.170 0.001 0.000 0.295 262 I C -0.967 175.101 176.117 -0.081 0.000 1.078 262 I CA -0.974 60.266 61.300 -0.101 0.000 1.048 262 I CB 2.246 40.192 38.000 -0.090 0.000 1.239 262 I HN 0.342 nan 8.210 nan 0.000 0.421 263 E N 3.206 123.382 120.200 -0.039 0.000 2.234 263 E HA 0.507 4.857 4.350 0.001 0.000 0.266 263 E C -0.994 175.493 176.600 -0.189 0.000 0.877 263 E CA -0.489 55.835 56.400 -0.126 0.000 0.758 263 E CB 1.806 31.454 29.700 -0.085 0.000 1.170 263 E HN 0.633 nan 8.360 nan 0.000 0.415 264 T N 0.610 115.015 114.554 -0.249 0.000 2.918 264 T HA 0.688 5.039 4.350 0.001 0.000 0.286 264 T C -0.846 173.647 174.700 -0.346 0.000 1.026 264 T CA -0.574 61.506 62.100 -0.032 0.000 1.031 264 T CB 0.633 69.705 68.868 0.341 0.000 1.046 264 T HN 0.310 nan 8.240 nan 0.000 0.479 265 Y N 1.146 121.603 120.300 0.261 0.000 2.346 265 Y HA 0.528 5.078 4.550 0.001 0.000 0.332 265 Y C 0.187 176.157 175.900 0.117 0.000 0.985 265 Y CA -1.695 56.509 58.100 0.173 0.000 1.112 265 Y CB 1.492 40.041 38.460 0.148 0.000 1.170 265 Y HN 0.800 nan 8.280 nan 0.000 0.447 266 L N 4.200 125.534 121.223 0.186 0.000 3.386 266 L HA -0.242 4.099 4.340 0.001 0.000 0.594 266 L C -0.971 175.920 176.870 0.036 0.000 1.013 266 L CA 0.214 55.074 54.840 0.033 0.000 1.191 266 L CB -0.295 41.668 42.059 -0.159 0.000 1.210 266 L HN 0.548 nan 8.230 nan 0.000 0.684 267 L N 4.496 125.711 121.223 -0.014 0.000 2.261 267 L HA 0.262 4.602 4.340 0.001 0.000 0.289 267 L C 0.906 177.784 176.870 0.014 0.000 1.059 267 L CA 0.249 55.035 54.840 -0.091 0.000 0.816 267 L CB 1.296 43.112 42.059 -0.406 0.000 1.191 267 L HN 0.388 nan 8.230 nan 0.000 0.431 268 E N 4.432 124.689 120.200 0.095 0.000 2.481 268 E HA -0.106 4.244 4.350 0.001 0.000 0.240 268 E C 0.204 176.915 176.600 0.184 0.000 1.193 268 E CA 0.346 56.821 56.400 0.124 0.000 0.955 268 E CB 0.427 30.208 29.700 0.134 0.000 1.006 268 E HN 0.684 nan 8.360 nan 0.000 0.483 269 K N 1.963 122.443 120.400 0.134 0.000 2.305 269 K HA -0.070 4.250 4.320 0.001 0.000 0.199 269 K C 2.108 178.772 176.600 0.106 0.000 1.047 269 K CA 0.935 57.307 56.287 0.143 0.000 0.976 269 K CB 0.162 32.733 32.500 0.119 0.000 0.765 269 K HN 0.484 nan 8.250 nan 0.000 0.474 270 S N 1.611 117.376 115.700 0.109 0.000 2.400 270 S HA -0.208 4.262 4.470 0.001 0.000 0.232 270 S C 2.054 176.705 174.600 0.087 0.000 1.025 270 S CA 0.970 59.244 58.200 0.123 0.000 0.993 270 S CB -0.287 63.023 63.200 0.184 0.000 0.808 270 S HN 0.267 nan 8.310 nan 0.000 0.478 271 R N 0.814 121.326 120.500 0.020 0.000 2.193 271 R HA -0.012 4.328 4.340 0.001 0.000 0.229 271 R C 1.880 178.083 176.300 -0.162 0.000 1.110 271 R CA 1.084 57.107 56.100 -0.129 0.000 0.988 271 R CB -0.530 29.575 30.300 -0.325 0.000 0.871 271 R HN 0.393 nan 8.270 nan 0.000 0.458 272 V N 0.087 119.943 119.914 -0.096 0.000 2.332 272 V HA -0.221 3.900 4.120 0.001 0.000 0.248 272 V C 2.014 177.867 176.094 -0.401 0.000 1.055 272 V CA 2.326 64.506 62.300 -0.201 0.000 1.038 272 V CB -0.300 31.410 31.823 -0.187 0.000 0.651 272 V HN 0.665 nan 8.190 nan 0.000 0.450 273 T N -4.104 110.240 114.554 -0.349 0.000 3.085 273 T HA 0.220 4.570 4.350 0.001 0.000 0.264 273 T C -0.300 174.416 174.700 0.028 0.000 1.019 273 T CA -0.169 61.654 62.100 -0.462 0.000 0.910 273 T CB 0.014 68.556 68.868 -0.544 0.000 1.059 273 T HN 0.347 nan 8.240 nan 0.000 0.542 274 Y N 1.059 121.299 120.300 -0.100 0.000 2.519 274 Y HA 0.615 5.165 4.550 0.001 0.000 0.336 274 Y C -2.063 173.821 175.900 -0.025 0.000 1.089 274 Y CA -1.328 56.761 58.100 -0.019 0.000 1.025 274 Y CB 1.704 40.171 38.460 0.011 0.000 1.318 274 Y HN 0.098 nan 8.280 nan 0.000 0.452 275 Q N 3.196 122.599 119.800 -0.661 0.000 2.379 275 Q HA 0.508 4.848 4.340 0.001 0.000 0.278 275 Q C -1.441 174.110 176.000 -0.748 0.000 1.068 275 Q CA -0.930 54.492 55.803 -0.636 0.000 0.816 275 Q CB 2.859 31.445 28.738 -0.254 0.000 1.387 275 Q HN 0.681 nan 8.270 nan 0.000 0.413 276 Q N 0.096 119.565 119.800 -0.551 0.000 2.193 276 Q HA 0.532 4.873 4.340 0.001 0.000 0.246 276 Q C -0.355 175.529 176.000 -0.195 0.000 0.959 276 Q CA -0.782 54.834 55.803 -0.311 0.000 0.904 276 Q CB 1.702 30.306 28.738 -0.223 0.000 1.238 276 Q HN 0.610 nan 8.270 nan 0.000 0.469 277 S N 0.507 116.136 115.700 -0.117 0.000 2.561 277 S HA 0.116 4.586 4.470 0.001 0.000 0.294 277 S C 0.515 175.042 174.600 -0.121 0.000 1.294 277 S CA 0.745 58.889 58.200 -0.093 0.000 1.055 277 S CB -0.114 63.048 63.200 -0.064 0.000 0.819 277 S HN 0.914 nan 8.310 nan 0.000 0.503 278 A N 2.220 124.980 122.820 -0.100 0.000 2.860 278 A HA -0.183 4.137 4.320 0.001 0.000 0.267 278 A C 0.241 177.741 177.584 -0.139 0.000 1.421 278 A CA 1.582 53.556 52.037 -0.106 0.000 0.831 278 A CB -2.221 16.718 19.000 -0.103 0.000 1.041 278 A HN 0.959 nan 8.150 nan 0.000 0.623 279 E N -1.093 119.015 120.200 -0.152 0.000 2.367 279 E HA 0.728 5.078 4.350 0.001 0.000 0.273 279 E C -0.169 176.337 176.600 -0.158 0.000 0.903 279 E CA -1.005 55.287 56.400 -0.180 0.000 0.764 279 E CB 1.235 30.790 29.700 -0.243 0.000 1.252 279 E HN 0.494 nan 8.360 nan 0.000 0.446 280 R N 1.417 121.814 120.500 -0.172 0.000 2.919 280 R HA 0.390 4.731 4.340 0.001 0.000 0.260 280 R C -0.083 176.145 176.300 -0.121 0.000 1.067 280 R CA -1.028 54.983 56.100 -0.148 0.000 1.003 280 R CB 1.068 31.160 30.300 -0.348 0.000 1.192 280 R HN 0.504 nan 8.270 nan 0.000 0.488 281 N N 0.230 118.992 118.700 0.103 0.000 2.364 281 N HA 0.059 4.799 4.740 0.001 0.000 0.264 281 N C -0.721 174.854 175.510 0.107 0.000 1.263 281 N CA -0.004 53.081 53.050 0.058 0.000 0.959 281 N CB 0.280 38.880 38.487 0.187 0.000 1.204 281 N HN 0.230 nan 8.380 nan 0.000 0.550 282 Y N 1.434 121.906 120.300 0.286 0.000 2.702 282 Y HA -0.057 4.494 4.550 0.001 0.000 0.336 282 Y C 2.008 178.034 175.900 0.210 0.000 1.235 282 Y CA 0.306 58.472 58.100 0.110 0.000 1.492 282 Y CB 0.145 38.623 38.460 0.030 0.000 1.308 282 Y HN 0.517 nan 8.280 nan 0.000 0.589 283 H N 1.822 121.073 119.070 0.302 0.000 2.357 283 H HA -0.209 4.348 4.556 0.001 0.000 0.296 283 H C 2.231 177.651 175.328 0.153 0.000 1.108 283 H CA 2.062 58.242 56.048 0.220 0.000 1.273 283 H CB -0.217 29.633 29.762 0.147 0.000 1.367 283 H HN 0.714 nan 8.280 nan 0.000 0.498 284 I N 0.773 121.368 120.570 0.041 0.000 2.300 284 I HA -0.275 3.895 4.170 0.001 0.000 0.252 284 I C 1.748 177.699 176.117 -0.277 0.000 1.119 284 I CA 1.027 62.158 61.300 -0.282 0.000 1.384 284 I CB -0.602 36.842 38.000 -0.927 0.000 1.062 284 I HN -0.048 nan 8.210 nan 0.000 0.426 285 F N -0.663 119.291 119.950 0.007 0.000 2.163 285 F HA -0.160 4.367 4.527 0.001 0.000 0.297 285 F C 2.147 177.751 175.800 -0.327 0.000 1.094 285 F CA 1.429 59.303 58.000 -0.209 0.000 1.290 285 F CB -1.293 37.516 39.000 -0.318 0.000 1.017 285 F HN 0.091 nan 8.300 nan 0.000 0.483 286 Y N 0.491 120.855 120.300 0.107 0.000 2.395 286 Y HA -0.131 4.420 4.550 0.001 0.000 0.293 286 Y C 2.361 178.215 175.900 -0.077 0.000 1.123 286 Y CA 0.934 59.052 58.100 0.030 0.000 1.227 286 Y CB -1.161 37.343 38.460 0.072 0.000 1.012 286 Y HN 0.244 nan 8.280 nan 0.000 0.552 287 Q N -0.912 118.889 119.800 0.002 0.000 2.398 287 Q HA -0.006 4.334 4.340 0.001 0.000 0.204 287 Q C 1.587 177.130 176.000 -0.762 0.000 0.932 287 Q CA 0.835 56.523 55.803 -0.191 0.000 0.916 287 Q CB -0.298 28.453 28.738 0.022 0.000 1.024 287 Q HN 0.420 nan 8.270 nan 0.000 0.504 288 I N 0.427 120.593 120.570 -0.674 0.000 3.291 288 I HA -0.049 4.121 4.170 0.001 0.000 0.279 288 I C 0.374 176.166 176.117 -0.541 0.000 1.294 288 I CA 0.351 61.140 61.300 -0.852 0.000 1.428 288 I CB 0.413 38.117 38.000 -0.494 0.000 1.070 288 I HN 0.308 nan 8.210 nan 0.000 0.478 289 C N -0.318 118.766 119.300 -0.359 0.000 2.741 289 C HA 0.283 4.743 4.460 0.001 0.000 0.267 289 C C 1.923 176.844 174.990 -0.115 0.000 1.549 289 C CA 0.100 59.000 59.018 -0.195 0.000 1.772 289 C CB -1.533 26.125 27.740 -0.138 0.000 2.962 289 C HN 0.533 nan 8.230 nan 0.000 0.514 290 S N 0.063 115.666 115.700 -0.162 0.000 2.540 290 S HA 0.059 4.530 4.470 0.001 0.000 0.218 290 S C 0.816 175.408 174.600 -0.014 0.000 0.977 290 S CA 0.593 58.761 58.200 -0.053 0.000 0.918 290 S CB -0.568 62.615 63.200 -0.029 0.000 0.806 290 S HN 0.541 nan 8.310 nan 0.000 0.496 291 N N 0.949 119.626 118.700 -0.038 0.000 2.693 291 N HA -0.256 4.484 4.740 0.001 0.000 0.249 291 N C 0.752 176.303 175.510 0.069 0.000 1.119 291 N CA 0.859 53.919 53.050 0.015 0.000 0.717 291 N CB -1.508 36.992 38.487 0.022 0.000 1.071 291 N HN 0.621 nan 8.380 nan 0.000 0.555 292 A N -0.398 122.498 122.820 0.126 0.000 1.969 292 A HA 0.187 4.508 4.320 0.001 0.000 0.218 292 A C 1.056 178.748 177.584 0.181 0.000 1.169 292 A CA 1.263 53.415 52.037 0.192 0.000 0.635 292 A CB 0.101 19.306 19.000 0.342 0.000 0.810 292 A HN 0.423 nan 8.150 nan 0.000 0.445 293 I N -0.540 120.172 120.570 0.235 0.000 2.833 293 I HA 0.191 4.361 4.170 0.001 0.000 0.286 293 I C -2.117 174.075 176.117 0.125 0.000 1.287 293 I CA -1.642 59.757 61.300 0.165 0.000 1.046 293 I CB 1.704 39.810 38.000 0.177 0.000 1.612 293 I HN 0.001 nan 8.210 nan 0.000 0.585 294 P HA -0.256 nan 4.420 nan 0.000 0.219 294 P C 0.926 178.264 177.300 0.064 0.000 1.158 294 P CA 1.641 64.779 63.100 0.062 0.000 0.895 294 P CB 0.097 31.828 31.700 0.051 0.000 0.792 295 E N -1.230 119.010 120.200 0.066 0.000 2.501 295 E HA -0.107 4.243 4.350 0.001 0.000 0.203 295 E C 1.434 178.082 176.600 0.080 0.000 1.072 295 E CA 0.473 56.913 56.400 0.066 0.000 0.885 295 E CB -0.530 29.207 29.700 0.061 0.000 0.813 295 E HN 0.373 nan 8.360 nan 0.000 0.556 296 L N -0.270 121.006 121.223 0.088 0.000 2.672 296 L HA 0.084 4.425 4.340 0.001 0.000 0.236 296 L C 1.601 178.515 176.870 0.072 0.000 1.092 296 L CA 0.058 54.956 54.840 0.096 0.000 0.887 296 L CB 0.048 42.178 42.059 0.117 0.000 1.168 296 L HN 0.088 nan 8.230 nan 0.000 0.502 297 N N 0.173 118.908 118.700 0.057 0.000 2.205 297 N HA -0.233 4.507 4.740 0.001 0.000 0.186 297 N C 1.096 176.654 175.510 0.081 0.000 1.015 297 N CA 1.128 54.208 53.050 0.051 0.000 0.862 297 N CB 0.069 38.583 38.487 0.046 0.000 0.986 297 N HN 0.281 nan 8.380 nan 0.000 0.429 298 D N 0.319 120.770 120.400 0.085 0.000 2.339 298 D HA 0.034 4.674 4.640 0.001 0.000 0.217 298 D C 1.351 177.731 176.300 0.134 0.000 1.050 298 D CA 0.180 54.239 54.000 0.098 0.000 0.856 298 D CB 0.622 41.468 40.800 0.076 0.000 0.922 298 D HN 0.057 nan 8.370 nan 0.000 0.518 299 V N 0.216 120.208 119.914 0.131 0.000 2.795 299 V HA 0.007 4.128 4.120 0.001 0.000 0.243 299 V C 2.346 178.537 176.094 0.161 0.000 1.069 299 V CA 0.586 62.972 62.300 0.144 0.000 1.089 299 V CB -0.079 31.820 31.823 0.127 0.000 0.756 299 V HN 0.127 nan 8.190 nan 0.000 0.471 300 M N -0.439 119.251 119.600 0.150 0.000 2.501 300 M HA 0.320 4.800 4.480 0.001 0.000 0.261 300 M C 0.312 176.767 176.300 0.257 0.000 1.129 300 M CA 0.528 55.928 55.300 0.166 0.000 1.126 300 M CB 0.332 32.981 32.600 0.083 0.000 1.359 300 M HN 0.167 nan 8.290 nan 0.000 0.471 301 L N 0.888 122.243 121.223 0.220 0.000 3.418 301 L HA -0.115 4.225 4.340 0.001 0.000 0.493 301 L C -0.492 176.564 176.870 0.309 0.000 1.315 301 L CA -0.520 54.454 54.840 0.224 0.000 0.885 301 L CB -2.383 39.796 42.059 0.200 0.000 1.727 301 L HN 0.269 nan 8.230 nan 0.000 0.837 302 V N -4.142 115.900 119.914 0.213 0.000 2.914 302 V HA 0.847 4.967 4.120 0.001 0.000 0.314 302 V C 0.570 176.765 176.094 0.168 0.000 1.084 302 V CA -0.401 62.032 62.300 0.222 0.000 0.963 302 V CB 2.031 33.865 31.823 0.019 0.000 1.025 302 V HN 0.151 nan 8.190 nan 0.000 0.432 303 T N 4.419 119.114 114.554 0.235 0.000 2.771 303 T HA 0.436 4.786 4.350 0.001 0.000 0.291 303 T C -2.436 172.343 174.700 0.131 0.000 0.954 303 T CA -0.922 61.264 62.100 0.144 0.000 1.045 303 T CB 1.266 70.198 68.868 0.105 0.000 0.917 303 T HN 0.722 nan 8.240 nan 0.000 0.484 304 P HA 0.117 nan 4.420 nan 0.000 0.251 304 P C -0.654 176.678 177.300 0.053 0.000 1.624 304 P CA 0.391 63.515 63.100 0.040 0.000 0.907 304 P CB -0.090 31.625 31.700 0.025 0.000 1.867 305 D N -0.026 120.431 120.400 0.095 0.000 2.479 305 D HA 0.059 4.700 4.640 0.001 0.000 0.246 305 D C 0.988 177.373 176.300 0.141 0.000 1.336 305 D CA -0.162 53.888 54.000 0.083 0.000 0.967 305 D CB 1.430 42.253 40.800 0.038 0.000 1.275 305 D HN -0.003 nan 8.370 nan 0.000 0.577 306 S N 1.633 117.396 115.700 0.106 0.000 2.387 306 S HA -0.038 4.432 4.470 0.001 0.000 0.226 306 S C 1.923 176.588 174.600 0.108 0.000 1.026 306 S CA 0.995 59.252 58.200 0.095 0.000 0.972 306 S CB -0.211 63.037 63.200 0.079 0.000 0.814 306 S HN 0.433 nan 8.310 nan 0.000 0.477 307 G N 0.576 109.423 108.800 0.080 0.000 2.807 307 G HA2 0.136 4.096 3.960 0.001 0.000 0.207 307 G HA3 0.136 4.096 3.960 0.001 0.000 0.207 307 G C 1.016 175.907 174.900 -0.015 0.000 1.151 307 G CA 0.192 45.319 45.100 0.045 0.000 0.800 307 G HN 0.443 nan 8.290 nan 0.000 0.523 308 L N -0.920 120.275 121.223 -0.048 0.000 2.477 308 L HA 0.396 4.737 4.340 0.001 0.000 0.220 308 L C -0.130 176.441 176.870 -0.497 0.000 1.106 308 L CA 0.072 54.746 54.840 -0.278 0.000 0.851 308 L CB 0.036 41.859 42.059 -0.394 0.000 0.994 308 L HN 0.180 nan 8.230 nan 0.000 0.462 309 Y N -1.335 118.908 120.300 -0.095 0.000 2.331 309 Y HA 0.232 4.782 4.550 0.001 0.000 0.338 309 Y C 1.709 177.538 175.900 -0.118 0.000 0.992 309 Y CA -0.398 57.626 58.100 -0.128 0.000 1.121 309 Y CB 1.161 39.519 38.460 -0.170 0.000 1.184 309 Y HN -0.012 nan 8.280 nan 0.000 0.469 310 S N 1.049 116.726 115.700 -0.038 0.000 2.447 310 S HA -0.148 4.322 4.470 0.001 0.000 0.233 310 S C 1.418 176.068 174.600 0.084 0.000 1.006 310 S CA 0.892 59.075 58.200 -0.027 0.000 0.957 310 S CB -0.352 62.791 63.200 -0.095 0.000 0.773 310 S HN 0.558 nan 8.310 nan 0.000 0.507 311 F N 2.100 122.021 119.950 -0.048 0.000 2.661 311 F HA 0.335 4.862 4.527 0.001 0.000 0.298 311 F C 1.733 177.397 175.800 -0.226 0.000 1.137 311 F CA -0.616 57.299 58.000 -0.142 0.000 1.454 311 F CB -0.370 38.486 39.000 -0.241 0.000 1.103 311 F HN 0.416 nan 8.300 nan 0.000 0.577 312 I N -2.973 117.588 120.570 -0.016 0.000 4.541 312 I HA 0.233 4.404 4.170 0.001 0.000 0.337 312 I C 0.851 177.001 176.117 0.056 0.000 1.338 312 I CA 0.017 61.263 61.300 -0.089 0.000 1.244 312 I CB -0.099 37.632 38.000 -0.449 0.000 1.417 312 I HN -0.095 nan 8.210 nan 0.000 0.501 313 N N 0.978 119.715 118.700 0.061 0.000 2.235 313 N HA 0.058 4.799 4.740 0.001 0.000 0.209 313 N C 1.050 176.600 175.510 0.067 0.000 1.122 313 N CA -0.100 52.999 53.050 0.081 0.000 0.845 313 N CB -0.044 38.473 38.487 0.049 0.000 1.004 313 N HN 0.548 nan 8.380 nan 0.000 0.499 314 Q N -0.389 119.449 119.800 0.065 0.000 2.230 314 Q HA 0.102 4.442 4.340 0.001 0.000 0.202 314 Q C 0.964 176.974 176.000 0.016 0.000 0.963 314 Q CA 1.316 57.148 55.803 0.049 0.000 0.866 314 Q CB 0.234 29.013 28.738 0.068 0.000 0.931 314 Q HN 0.535 nan 8.270 nan 0.000 0.452 315 G N -0.426 108.380 108.800 0.009 0.000 3.387 315 G HA2 0.199 4.159 3.960 0.001 0.000 0.194 315 G HA3 0.199 4.159 3.960 0.001 0.000 0.194 315 G C -0.541 174.359 174.900 -0.001 0.000 1.417 315 G CA -0.431 44.656 45.100 -0.023 0.000 0.777 315 G HN 0.238 nan 8.290 nan 0.000 0.721 316 C N 0.113 119.397 119.300 -0.025 0.000 2.500 316 C HA 0.567 5.027 4.460 0.001 0.000 0.367 316 C C 1.782 176.781 174.990 0.015 0.000 1.283 316 C CA -0.192 58.812 59.018 -0.025 0.000 2.456 316 C CB 0.504 28.201 27.740 -0.071 0.000 2.457 316 C HN 0.477 nan 8.230 nan 0.000 0.632 317 L N 0.592 121.834 121.223 0.031 0.000 2.577 317 L HA 0.165 4.506 4.340 0.001 0.000 0.225 317 L C 1.029 177.901 176.870 0.004 0.000 1.053 317 L CA 0.557 55.474 54.840 0.128 0.000 0.866 317 L CB -0.217 41.936 42.059 0.158 0.000 1.132 317 L HN 0.853 nan 8.230 nan 0.000 0.486 318 T N -1.537 112.999 114.554 -0.030 0.000 2.908 318 T HA 0.684 5.034 4.350 0.001 0.000 0.290 318 T C -0.540 174.120 174.700 -0.067 0.000 1.034 318 T CA -0.621 61.452 62.100 -0.045 0.000 1.010 318 T CB 2.622 71.488 68.868 -0.003 0.000 1.068 318 T HN -0.207 nan 8.240 nan 0.000 0.481 319 V N 2.295 122.170 119.914 -0.065 0.000 2.513 319 V HA 0.281 4.402 4.120 0.001 0.000 0.299 319 V C 0.602 176.678 176.094 -0.029 0.000 1.035 319 V CA -0.711 61.559 62.300 -0.049 0.000 0.889 319 V CB 1.423 33.219 31.823 -0.044 0.000 0.988 319 V HN 1.029 nan 8.190 nan 0.000 0.440 320 D N 2.262 122.650 120.400 -0.020 0.000 2.158 320 D HA -0.176 4.464 4.640 0.001 0.000 0.197 320 D C 1.098 177.394 176.300 -0.006 0.000 0.995 320 D CA 1.775 55.768 54.000 -0.012 0.000 0.846 320 D CB -0.040 40.753 40.800 -0.011 0.000 0.941 320 D HN 0.757 nan 8.370 nan 0.000 0.456 321 N N 0.313 119.011 118.700 -0.004 0.000 2.338 321 N HA 0.106 4.846 4.740 0.001 0.000 0.251 321 N C -0.627 174.873 175.510 -0.015 0.000 1.199 321 N CA -0.051 52.999 53.050 0.000 0.000 0.879 321 N CB 0.682 39.179 38.487 0.018 0.000 1.159 321 N HN 0.186 nan 8.380 nan 0.000 0.514 322 I N 0.545 121.096 120.570 -0.032 0.000 2.468 322 I HA 0.167 4.337 4.170 0.001 0.000 0.285 322 I C -1.067 175.024 176.117 -0.044 0.000 1.039 322 I CA -0.742 60.520 61.300 -0.064 0.000 1.074 322 I CB 2.116 40.038 38.000 -0.130 0.000 1.228 322 I HN -0.155 nan 8.210 nan 0.000 0.436 323 D N 5.397 125.780 120.400 -0.028 0.000 2.456 323 D HA 0.141 4.781 4.640 0.001 0.000 0.219 323 D C 0.850 177.156 176.300 0.010 0.000 1.126 323 D CA -0.161 53.838 54.000 -0.002 0.000 0.890 323 D CB 0.810 41.615 40.800 0.009 0.000 1.025 323 D HN 0.345 nan 8.370 nan 0.000 0.511 324 D N 2.580 122.991 120.400 0.019 0.000 2.265 324 D HA -0.133 4.507 4.640 0.001 0.000 0.208 324 D C 1.803 178.159 176.300 0.093 0.000 0.977 324 D CA 0.741 54.771 54.000 0.050 0.000 0.871 324 D CB 0.487 41.331 40.800 0.073 0.000 0.925 324 D HN 0.304 nan 8.370 nan 0.000 0.485 325 V N 1.486 121.450 119.914 0.083 0.000 2.249 325 V HA -0.180 3.941 4.120 0.001 0.000 0.239 325 V C 2.927 179.098 176.094 0.127 0.000 1.038 325 V CA 2.402 64.770 62.300 0.115 0.000 1.005 325 V CB -1.221 30.650 31.823 0.079 0.000 0.646 325 V HN 0.254 nan 8.190 nan 0.000 0.455 326 E N 0.067 120.312 120.200 0.076 0.000 2.130 326 E HA -0.333 4.018 4.350 0.001 0.000 0.196 326 E C 2.031 178.670 176.600 0.065 0.000 0.998 326 E CA 1.704 58.138 56.400 0.057 0.000 0.806 326 E CB -0.702 29.019 29.700 0.033 0.000 0.738 326 E HN 0.636 nan 8.360 nan 0.000 0.459 327 E N -0.804 119.442 120.200 0.076 0.000 2.118 327 E HA -0.103 4.248 4.350 0.001 0.000 0.195 327 E C 1.882 178.579 176.600 0.160 0.000 0.992 327 E CA 1.090 57.540 56.400 0.084 0.000 0.804 327 E CB -0.445 29.285 29.700 0.049 0.000 0.741 327 E HN 0.625 nan 8.360 nan 0.000 0.458 328 F N 1.810 121.778 119.950 0.030 0.000 2.234 328 F HA -0.090 4.437 4.527 0.001 0.000 0.299 328 F C 1.950 177.793 175.800 0.072 0.000 1.087 328 F CA 1.161 59.187 58.000 0.043 0.000 1.340 328 F CB 0.022 39.017 39.000 -0.009 0.000 1.031 328 F HN -0.106 nan 8.300 nan 0.000 0.500 329 K N 0.195 120.560 120.400 -0.058 0.000 2.026 329 K HA -0.130 4.190 4.320 0.001 0.000 0.208 329 K C 2.106 178.651 176.600 -0.091 0.000 1.048 329 K CA 1.834 58.042 56.287 -0.132 0.000 0.929 329 K CB -0.491 31.990 32.500 -0.031 0.000 0.713 329 K HN 0.301 nan 8.250 nan 0.000 0.439 330 L N 0.612 121.821 121.223 -0.023 0.000 2.131 330 L HA -0.237 4.104 4.340 0.001 0.000 0.210 330 L C 2.770 179.640 176.870 0.000 0.000 1.092 330 L CA 0.643 55.478 54.840 -0.008 0.000 0.759 330 L CB -0.559 41.504 42.059 0.007 0.000 0.903 330 L HN 0.399 nan 8.230 nan 0.000 0.435 331 C N 0.363 119.684 119.300 0.036 0.000 2.453 331 C HA -0.183 4.277 4.460 0.001 0.000 0.277 331 C C 2.575 177.680 174.990 0.191 0.000 1.262 331 C CA 1.316 60.408 59.018 0.125 0.000 1.718 331 C CB -0.466 27.450 27.740 0.293 0.000 2.031 331 C HN 0.647 nan 8.230 nan 0.000 0.480 332 D N 0.173 120.607 120.400 0.057 0.000 2.116 332 D HA -0.163 4.477 4.640 0.001 0.000 0.193 332 D C 2.176 178.522 176.300 0.075 0.000 0.998 332 D CA 1.760 55.806 54.000 0.078 0.000 0.836 332 D CB -0.200 40.508 40.800 -0.155 0.000 0.951 332 D HN 0.582 nan 8.370 nan 0.000 0.449 333 E N 0.298 120.503 120.200 0.009 0.000 2.058 333 E HA -0.204 4.146 4.350 0.001 0.000 0.194 333 E C 2.247 178.842 176.600 -0.008 0.000 0.997 333 E CA 1.079 57.480 56.400 0.001 0.000 0.801 333 E CB -0.515 29.176 29.700 -0.015 0.000 0.746 333 E HN 0.423 nan 8.360 nan 0.000 0.450 334 A N 1.268 124.063 122.820 -0.042 0.000 1.873 334 A HA -0.203 4.118 4.320 0.001 0.000 0.218 334 A C 2.080 179.548 177.584 -0.194 0.000 1.193 334 A CA 1.504 53.460 52.037 -0.136 0.000 0.629 334 A CB -1.026 17.846 19.000 -0.213 0.000 0.826 334 A HN 0.161 nan 8.150 nan 0.000 0.447 335 F N 0.656 120.454 119.950 -0.254 0.000 2.154 335 F HA -0.208 4.319 4.527 0.001 0.000 0.301 335 F C 2.174 177.861 175.800 -0.188 0.000 1.087 335 F CA 1.917 59.653 58.000 -0.440 0.000 1.274 335 F CB -0.243 38.472 39.000 -0.475 0.000 1.009 335 F HN 0.262 nan 8.300 nan 0.000 0.485 336 D N -0.029 120.426 120.400 0.092 0.000 2.103 336 D HA -0.102 4.538 4.640 0.001 0.000 0.199 336 D C 2.477 178.814 176.300 0.061 0.000 0.978 336 D CA 1.212 55.263 54.000 0.085 0.000 0.829 336 D CB -0.416 40.414 40.800 0.051 0.000 0.981 336 D HN 0.239 nan 8.370 nan 0.000 0.464 337 I N 0.829 121.409 120.570 0.016 0.000 2.567 337 I HA -0.188 3.983 4.170 0.001 0.000 0.257 337 I C 1.864 177.987 176.117 0.010 0.000 1.184 337 I CA 0.242 61.542 61.300 0.000 0.000 1.451 337 I CB 0.069 38.052 38.000 -0.028 0.000 1.089 337 I HN 0.018 nan 8.210 nan 0.000 0.441 338 L N 0.550 121.785 121.223 0.019 0.000 2.551 338 L HA 0.042 4.382 4.340 0.001 0.000 0.228 338 L C 1.633 178.637 176.870 0.223 0.000 1.153 338 L CA 1.413 56.300 54.840 0.078 0.000 0.851 338 L CB -1.410 40.635 42.059 -0.022 0.000 0.959 338 L HN 0.505 nan 8.230 nan 0.000 0.451 339 G N -1.208 107.713 108.800 0.202 0.000 2.132 339 G HA2 -0.288 3.673 3.960 0.001 0.000 0.228 339 G HA3 -0.288 3.673 3.960 0.001 0.000 0.228 339 G C 0.085 175.092 174.900 0.178 0.000 1.000 339 G CA -0.343 44.842 45.100 0.142 0.000 0.693 339 G HN 0.158 nan 8.290 nan 0.000 0.515 340 F N 2.292 122.258 119.950 0.027 0.000 2.412 340 F HA 0.526 5.054 4.527 0.001 0.000 0.348 340 F C 1.648 177.457 175.800 0.014 0.000 1.102 340 F CA 0.032 58.061 58.000 0.048 0.000 1.196 340 F CB 1.007 40.087 39.000 0.133 0.000 1.144 340 F HN 0.238 nan 8.300 nan 0.000 0.541 341 T N -0.090 114.520 114.554 0.093 0.000 2.766 341 T HA 0.097 4.447 4.350 0.001 0.000 0.295 341 T C 1.287 176.019 174.700 0.053 0.000 1.024 341 T CA -0.714 61.414 62.100 0.048 0.000 1.018 341 T CB 0.768 69.636 68.868 0.001 0.000 1.002 341 T HN 0.732 nan 8.240 nan 0.000 0.532 342 K N 0.095 120.510 120.400 0.025 0.000 2.280 342 K HA -0.130 4.191 4.320 0.001 0.000 0.202 342 K C 1.745 178.338 176.600 -0.013 0.000 1.047 342 K CA 1.039 57.331 56.287 0.009 0.000 0.942 342 K CB 0.009 32.518 32.500 0.015 0.000 0.739 342 K HN 0.600 nan 8.250 nan 0.000 0.457 343 E N 1.175 121.367 120.200 -0.013 0.000 2.005 343 E HA -0.165 4.186 4.350 0.001 0.000 0.191 343 E C 1.894 178.462 176.600 -0.053 0.000 0.987 343 E CA 1.166 57.546 56.400 -0.034 0.000 0.814 343 E CB -0.429 29.250 29.700 -0.035 0.000 0.772 343 E HN 0.386 nan 8.360 nan 0.000 0.453 344 E N 1.118 121.305 120.200 -0.021 0.000 2.086 344 E HA -0.259 4.092 4.350 0.001 0.000 0.200 344 E C 2.146 178.747 176.600 0.002 0.000 1.012 344 E CA 1.573 57.986 56.400 0.022 0.000 0.812 344 E CB -0.173 29.590 29.700 0.105 0.000 0.743 344 E HN 0.120 nan 8.360 nan 0.000 0.453 345 K N 0.846 121.221 120.400 -0.042 0.000 2.032 345 K HA -0.226 4.094 4.320 0.001 0.000 0.209 345 K C 2.154 178.384 176.600 -0.617 0.000 1.048 345 K CA 1.692 57.689 56.287 -0.482 0.000 0.927 345 K CB 0.044 32.297 32.500 -0.413 0.000 0.712 345 K HN 0.113 nan 8.250 nan 0.000 0.441 346 Q N -0.263 119.387 119.800 -0.250 0.000 2.311 346 Q HA -0.034 4.306 4.340 0.001 0.000 0.203 346 Q C 2.076 178.044 176.000 -0.054 0.000 0.954 346 Q CA 1.024 56.788 55.803 -0.064 0.000 0.885 346 Q CB 0.287 29.043 28.738 0.029 0.000 0.963 346 Q HN 0.264 nan 8.270 nan 0.000 0.471 347 S N 0.555 116.182 115.700 -0.121 0.000 2.368 347 S HA -0.111 4.360 4.470 0.001 0.000 0.225 347 S C 1.909 176.439 174.600 -0.116 0.000 1.030 347 S CA 0.960 59.083 58.200 -0.128 0.000 0.999 347 S CB -0.028 63.055 63.200 -0.195 0.000 0.844 347 S HN 0.311 nan 8.310 nan 0.000 0.459 348 M N 0.562 120.062 119.600 -0.167 0.000 2.059 348 M HA -0.012 4.468 4.480 0.001 0.000 0.259 348 M C 1.957 178.333 176.300 0.127 0.000 1.072 348 M CA 1.523 56.769 55.300 -0.089 0.000 1.117 348 M CB -1.506 30.976 32.600 -0.197 0.000 1.320 348 M HN 0.335 nan 8.290 nan 0.000 0.408 349 F N 0.667 120.621 119.950 0.006 0.000 2.115 349 F HA -0.332 4.195 4.527 0.001 0.000 0.300 349 F C 2.541 178.379 175.800 0.064 0.000 1.092 349 F CA 0.954 58.994 58.000 0.066 0.000 1.245 349 F CB -0.351 38.681 39.000 0.052 0.000 0.995 349 F HN 0.265 nan 8.300 nan 0.000 0.481 350 K N -0.319 120.221 120.400 0.234 0.000 2.025 350 K HA -0.166 4.154 4.320 0.001 0.000 0.207 350 K C 1.898 178.585 176.600 0.144 0.000 1.049 350 K CA 1.573 57.947 56.287 0.145 0.000 0.933 350 K CB -0.537 31.997 32.500 0.057 0.000 0.714 350 K HN 0.288 nan 8.250 nan 0.000 0.438 351 C N 0.873 120.249 119.300 0.127 0.000 2.419 351 C HA -0.069 4.392 4.460 0.001 0.000 0.283 351 C C 2.627 177.761 174.990 0.239 0.000 1.373 351 C CA 0.924 60.032 59.018 0.150 0.000 1.781 351 C CB -0.980 26.821 27.740 0.103 0.000 1.886 351 C HN 0.526 nan 8.230 nan 0.000 0.520 352 T N 1.080 115.796 114.554 0.271 0.000 2.812 352 T HA -0.030 4.321 4.350 0.001 0.000 0.264 352 T C 2.201 177.071 174.700 0.284 0.000 1.042 352 T CA 1.476 63.777 62.100 0.336 0.000 1.140 352 T CB -0.318 68.718 68.868 0.281 0.000 0.870 352 T HN 0.624 nan 8.240 nan 0.000 0.445 353 A N 1.574 124.483 122.820 0.149 0.000 1.969 353 A HA -0.033 4.287 4.320 0.001 0.000 0.218 353 A C 2.560 180.160 177.584 0.026 0.000 1.169 353 A CA 1.613 53.641 52.037 -0.015 0.000 0.635 353 A CB -0.837 18.156 19.000 -0.012 0.000 0.810 353 A HN 0.418 nan 8.150 nan 0.000 0.445 354 S N 0.328 116.141 115.700 0.188 0.000 2.372 354 S HA -0.223 4.247 4.470 0.001 0.000 0.227 354 S C 1.759 176.506 174.600 0.245 0.000 1.044 354 S CA 1.836 60.184 58.200 0.247 0.000 1.050 354 S CB -0.595 62.730 63.200 0.208 0.000 0.901 354 S HN 0.587 nan 8.310 nan 0.000 0.447 355 I N 0.620 121.346 120.570 0.261 0.000 2.315 355 I HA -0.156 4.014 4.170 0.001 0.000 0.248 355 I C 2.270 178.550 176.117 0.272 0.000 1.117 355 I CA 0.671 62.158 61.300 0.311 0.000 1.404 355 I CB -0.342 37.882 38.000 0.375 0.000 1.071 355 I HN 0.191 nan 8.210 nan 0.000 0.419 356 L N 0.481 121.732 121.223 0.046 0.000 2.012 356 L HA -0.267 4.073 4.340 0.001 0.000 0.210 356 L C 2.710 179.543 176.870 -0.061 0.000 1.073 356 L CA 2.040 56.754 54.840 -0.210 0.000 0.748 356 L CB -0.898 40.765 42.059 -0.660 0.000 0.891 356 L HN 0.276 nan 8.230 nan 0.000 0.431 357 H N -1.531 117.601 119.070 0.104 0.000 2.389 357 H HA -0.079 4.477 4.556 0.001 0.000 0.299 357 H C 2.294 177.662 175.328 0.067 0.000 1.081 357 H CA 1.615 57.743 56.048 0.135 0.000 1.345 357 H CB -0.357 29.482 29.762 0.128 0.000 1.393 357 H HN 0.370 nan 8.280 nan 0.000 0.520 358 M N -0.035 119.707 119.600 0.237 0.000 2.195 358 M HA -0.133 4.347 4.480 0.001 0.000 0.260 358 M C 2.421 178.699 176.300 -0.035 0.000 1.066 358 M CA 1.634 57.062 55.300 0.214 0.000 1.089 358 M CB -0.367 32.466 32.600 0.387 0.000 1.377 358 M HN 0.287 nan 8.290 nan 0.000 0.411 359 G N -0.715 107.776 108.800 -0.516 0.000 2.534 359 G HA2 -0.122 3.838 3.960 0.001 0.000 0.217 359 G HA3 -0.122 3.838 3.960 0.001 0.000 0.217 359 G C 1.298 175.886 174.900 -0.521 0.000 1.128 359 G CA 0.407 44.670 45.100 -1.393 0.000 0.784 359 G HN 0.330 nan 8.290 nan 0.000 0.542 360 E N 0.031 120.108 120.200 -0.206 0.000 2.447 360 E HA 0.159 4.510 4.350 0.001 0.000 0.195 360 E C 1.153 177.701 176.600 -0.088 0.000 1.028 360 E CA -0.164 56.171 56.400 -0.108 0.000 0.876 360 E CB -0.042 29.648 29.700 -0.017 0.000 0.885 360 E HN 0.423 nan 8.360 nan 0.000 0.500 361 M N 1.406 120.970 119.600 -0.060 0.000 2.269 361 M HA -0.007 4.473 4.480 0.001 0.000 0.350 361 M C 0.347 176.522 176.300 -0.209 0.000 1.429 361 M CA 0.530 55.745 55.300 -0.142 0.000 1.063 361 M CB 0.297 32.870 32.600 -0.044 0.000 1.841 361 M HN -0.400 nan 8.290 nan 0.000 0.455 362 K N 2.829 122.992 120.400 -0.394 0.000 2.118 362 K HA 0.746 5.066 4.320 0.001 0.000 0.254 362 K C -1.410 174.828 176.600 -0.604 0.000 0.961 362 K CA -0.060 56.057 56.287 -0.283 0.000 0.876 362 K CB 1.079 33.479 32.500 -0.166 0.000 1.077 362 K HN 0.344 nan 8.250 nan 0.000 0.440 363 F N 0.537 120.479 119.950 -0.014 0.000 2.626 363 F HA 0.513 5.040 4.527 0.001 0.000 0.311 363 F C -0.245 175.551 175.800 -0.007 0.000 1.088 363 F CA -0.936 57.060 58.000 -0.007 0.000 0.949 363 F CB 1.796 40.796 39.000 0.001 0.000 1.322 363 F HN 0.368 nan 8.300 nan 0.000 0.461 364 K N 0.050 120.564 120.400 0.190 0.000 2.495 364 K HA 0.588 4.909 4.320 0.001 0.000 0.268 364 K C -1.733 174.919 176.600 0.088 0.000 1.008 364 K CA -1.195 55.153 56.287 0.102 0.000 0.882 364 K CB 2.126 34.657 32.500 0.052 0.000 1.443 364 K HN 0.621 nan 8.250 nan 0.000 0.447 365 Q N 1.972 121.805 119.800 0.055 0.000 2.322 365 Q HA 0.225 4.565 4.340 0.001 0.000 0.256 365 Q C -0.554 175.466 176.000 0.033 0.000 0.960 365 Q CA -0.845 54.983 55.803 0.041 0.000 0.934 365 Q CB 1.248 30.003 28.738 0.028 0.000 1.200 365 Q HN 0.290 nan 8.270 nan 0.000 0.435 366 R N 2.823 123.343 120.500 0.033 0.000 2.503 366 R HA -0.145 4.195 4.340 0.001 0.000 0.271 366 R C -1.757 174.554 176.300 0.018 0.000 0.960 366 R CA -0.373 55.742 56.100 0.025 0.000 1.104 366 R CB -0.449 29.865 30.300 0.023 0.000 0.879 366 R HN 0.509 nan 8.270 nan 0.000 0.420 367 P HA -0.254 nan 4.420 nan 0.000 0.209 367 P C 0.997 178.302 177.300 0.009 0.000 1.080 367 P CA 1.866 64.972 63.100 0.010 0.000 0.971 367 P CB 0.093 31.798 31.700 0.008 0.000 0.768 368 R N -0.983 119.522 120.500 0.009 0.000 2.074 368 R HA 0.023 4.363 4.340 0.001 0.000 0.218 368 R C 1.647 177.953 176.300 0.009 0.000 1.137 368 R CA 0.612 56.717 56.100 0.008 0.000 0.998 368 R CB -0.547 29.757 30.300 0.006 0.000 0.895 368 R HN 0.410 nan 8.270 nan 0.000 0.442 369 E N 2.704 122.910 120.200 0.010 0.000 2.975 369 E HA -0.058 4.293 4.350 0.001 0.000 0.301 369 E C -0.722 175.885 176.600 0.012 0.000 1.554 369 E CA -0.098 56.309 56.400 0.010 0.000 1.716 369 E CB -0.132 29.575 29.700 0.011 0.000 1.365 369 E HN -0.047 nan 8.360 nan 0.000 0.469 370 E N 1.512 121.719 120.200 0.011 0.000 2.284 370 E HA -0.227 4.123 4.350 0.001 0.000 0.221 370 E C -0.244 176.364 176.600 0.012 0.000 0.730 370 E CA 0.639 57.046 56.400 0.012 0.000 0.762 370 E CB -0.489 29.217 29.700 0.010 0.000 0.987 370 E HN 0.690 nan 8.360 nan 0.000 0.365 371 Q N 1.026 120.835 119.800 0.016 0.000 3.083 371 Q HA 0.767 5.107 4.340 0.001 0.000 0.205 371 Q C -1.232 174.779 176.000 0.020 0.000 1.165 371 Q CA -0.053 55.758 55.803 0.014 0.000 0.365 371 Q CB 1.055 29.802 28.738 0.015 0.000 5.649 371 Q HN 0.287 nan 8.270 nan 0.000 0.298 372 A N -0.788 122.048 122.820 0.027 0.000 2.513 372 A HA 0.715 5.035 4.320 0.001 0.000 0.296 372 A C -1.458 176.175 177.584 0.082 0.000 1.052 372 A CA 0.195 52.260 52.037 0.046 0.000 0.714 372 A CB 1.181 20.183 19.000 0.004 0.000 1.279 372 A HN 0.576 nan 8.150 nan 0.000 0.397 373 E N 0.286 120.564 120.200 0.131 0.000 2.416 373 E HA 0.811 5.161 4.350 0.001 0.000 0.273 373 E C 0.139 176.866 176.600 0.211 0.000 0.935 373 E CA -0.185 56.303 56.400 0.145 0.000 0.784 373 E CB 1.348 31.094 29.700 0.078 0.000 1.301 373 E HN 1.951 nan 8.360 nan 0.000 0.454 374 S N -0.212 115.576 115.700 0.146 0.000 2.580 374 S HA 0.196 4.666 4.470 0.001 0.000 0.261 374 S C -0.157 174.398 174.600 -0.074 0.000 1.366 374 S CA 0.863 59.060 58.200 -0.005 0.000 0.996 374 S CB 0.268 63.450 63.200 -0.031 0.000 0.902 374 S HN 0.697 nan 8.310 nan 0.000 0.566 375 D N 0.500 120.784 120.400 -0.194 0.000 3.118 375 D HA 0.383 5.023 4.640 0.001 0.000 0.286 375 D C -0.105 176.102 176.300 -0.156 0.000 1.255 375 D CA 0.693 54.611 54.000 -0.138 0.000 0.748 375 D CB -0.129 40.600 40.800 -0.118 0.000 1.332 375 D HN 1.053 nan 8.370 nan 0.000 0.575 376 G N 0.294 109.016 108.800 -0.130 0.000 2.603 376 G HA2 -0.104 3.856 3.960 0.001 0.000 0.686 376 G HA3 -0.104 3.856 3.960 0.001 0.000 0.686 376 G C 0.267 175.083 174.900 -0.140 0.000 1.286 376 G CA 0.061 45.090 45.100 -0.117 0.000 0.871 376 G HN 0.416 nan 8.290 nan 0.000 0.568 377 T N -3.431 111.055 114.554 -0.115 0.000 3.407 377 T HA 0.643 4.994 4.350 0.001 0.000 0.308 377 T C 1.946 176.587 174.700 -0.097 0.000 0.919 377 T CA 1.382 63.417 62.100 -0.109 0.000 0.960 377 T CB 0.426 69.248 68.868 -0.077 0.000 1.193 377 T HN 2.136 nan 8.240 nan 0.000 0.568 378 A N 2.080 124.838 122.820 -0.103 0.000 1.892 378 A HA -0.114 4.207 4.320 0.001 0.000 0.218 378 A C 2.264 179.781 177.584 -0.112 0.000 1.188 378 A CA 2.093 54.068 52.037 -0.102 0.000 0.631 378 A CB -0.643 18.299 19.000 -0.098 0.000 0.822 378 A HN 0.456 nan 8.150 nan 0.000 0.447 379 E N -0.345 119.791 120.200 -0.107 0.000 2.028 379 E HA 0.049 4.399 4.350 0.001 0.000 0.190 379 E C 2.175 178.745 176.600 -0.050 0.000 0.984 379 E CA 1.371 57.718 56.400 -0.088 0.000 0.800 379 E CB -0.513 29.153 29.700 -0.056 0.000 0.758 379 E HN 0.475 nan 8.360 nan 0.000 0.448 380 A N 0.327 123.116 122.820 -0.052 0.000 2.070 380 A HA -0.188 4.132 4.320 0.001 0.000 0.220 380 A C 2.202 179.790 177.584 0.007 0.000 1.159 380 A CA 2.258 54.291 52.037 -0.006 0.000 0.656 380 A CB -0.979 18.004 19.000 -0.029 0.000 0.800 380 A HN 0.374 nan 8.150 nan 0.000 0.453 381 E N 0.575 120.759 120.200 -0.026 0.000 2.046 381 E HA -0.160 4.190 4.350 0.001 0.000 0.190 381 E C 1.988 178.600 176.600 0.020 0.000 0.982 381 E CA 1.470 57.861 56.400 -0.016 0.000 0.800 381 E CB -0.620 29.042 29.700 -0.062 0.000 0.756 381 E HN 0.768 nan 8.360 nan 0.000 0.449 382 K N 0.050 120.426 120.400 -0.040 0.000 2.097 382 K HA -0.053 4.267 4.320 0.001 0.000 0.206 382 K C 2.344 179.016 176.600 0.120 0.000 1.049 382 K CA 1.242 57.514 56.287 -0.024 0.000 0.933 382 K CB -0.283 32.002 32.500 -0.359 0.000 0.717 382 K HN 0.246 nan 8.250 nan 0.000 0.442 383 V N 1.495 121.468 119.914 0.098 0.000 2.223 383 V HA -0.276 3.845 4.120 0.001 0.000 0.244 383 V C 2.369 178.542 176.094 0.131 0.000 1.045 383 V CA 2.158 64.549 62.300 0.152 0.000 1.000 383 V CB -0.778 31.131 31.823 0.143 0.000 0.635 383 V HN 0.382 nan 8.190 nan 0.000 0.445 384 A N -0.737 122.148 122.820 0.109 0.000 2.032 384 A HA -0.268 4.053 4.320 0.001 0.000 0.221 384 A C 2.084 179.745 177.584 0.128 0.000 1.165 384 A CA 2.197 54.288 52.037 0.091 0.000 0.645 384 A CB -0.721 18.323 19.000 0.075 0.000 0.807 384 A HN 0.560 nan 8.150 nan 0.000 0.453 385 F N 0.523 120.477 119.950 0.007 0.000 2.060 385 F HA -0.090 4.437 4.527 0.001 0.000 0.295 385 F C 1.881 177.695 175.800 0.023 0.000 1.120 385 F CA 1.747 59.752 58.000 0.007 0.000 1.205 385 F CB -0.566 38.433 39.000 -0.003 0.000 0.986 385 F HN 0.138 nan 8.300 nan 0.000 0.470 386 L N -0.678 120.487 121.223 -0.096 0.000 2.083 386 L HA -0.260 4.080 4.340 0.001 0.000 0.209 386 L C 2.495 179.292 176.870 -0.121 0.000 1.083 386 L CA 1.186 55.916 54.840 -0.182 0.000 0.752 386 L CB -1.024 41.062 42.059 0.045 0.000 0.899 386 L HN 0.243 nan 8.230 nan 0.000 0.433 387 C N 0.139 119.417 119.300 -0.035 0.000 2.500 387 C HA 0.209 4.669 4.460 0.001 0.000 0.273 387 C C 1.739 176.692 174.990 -0.060 0.000 1.428 387 C CA 0.489 59.489 59.018 -0.030 0.000 1.766 387 C CB -1.315 26.426 27.740 0.001 0.000 1.817 387 C HN 0.837 nan 8.230 nan 0.000 0.543 388 G N 1.313 110.067 108.800 -0.077 0.000 2.171 388 G HA2 -0.215 3.745 3.960 0.001 0.000 0.238 388 G HA3 -0.215 3.745 3.960 0.001 0.000 0.238 388 G C -0.105 174.776 174.900 -0.032 0.000 1.039 388 G CA 0.574 45.635 45.100 -0.066 0.000 0.759 388 G HN 0.708 nan 8.290 nan 0.000 0.501 389 I N -4.156 116.408 120.570 -0.010 0.000 3.516 389 I HA 0.785 4.955 4.170 0.001 0.000 0.297 389 I C -0.158 175.972 176.117 0.022 0.000 1.139 389 I CA -1.824 59.474 61.300 -0.004 0.000 1.020 389 I CB 1.500 39.487 38.000 -0.023 0.000 1.341 389 I HN -0.059 nan 8.210 nan 0.000 0.490 390 N N 0.693 119.402 118.700 0.016 0.000 2.426 390 N HA 0.497 5.237 4.740 0.001 0.000 0.257 390 N C 0.640 176.166 175.510 0.026 0.000 1.002 390 N CA 0.192 53.257 53.050 0.024 0.000 0.942 390 N CB 1.763 40.259 38.487 0.016 0.000 1.112 390 N HN 0.762 nan 8.380 nan 0.000 0.499 391 A N 2.820 125.660 122.820 0.033 0.000 2.032 391 A HA -0.122 4.198 4.320 0.001 0.000 0.221 391 A C 1.870 179.468 177.584 0.023 0.000 1.165 391 A CA 1.973 54.028 52.037 0.030 0.000 0.645 391 A CB -0.898 18.116 19.000 0.022 0.000 0.807 391 A HN 0.720 nan 8.150 nan 0.000 0.453 392 G N -0.948 107.863 108.800 0.018 0.000 2.453 392 G HA2 -0.053 3.908 3.960 0.001 0.000 0.215 392 G HA3 -0.053 3.908 3.960 0.001 0.000 0.215 392 G C 0.949 175.862 174.900 0.021 0.000 1.147 392 G CA 0.974 46.084 45.100 0.017 0.000 0.802 392 G HN 0.473 nan 8.290 nan 0.000 0.535 393 D N -0.352 120.059 120.400 0.018 0.000 2.347 393 D HA 0.024 4.664 4.640 0.001 0.000 0.215 393 D C 2.088 178.399 176.300 0.018 0.000 0.976 393 D CA 0.025 54.033 54.000 0.015 0.000 0.884 393 D CB 0.296 41.100 40.800 0.007 0.000 0.915 393 D HN 0.246 nan 8.370 nan 0.000 0.526 394 L N -0.169 121.070 121.223 0.027 0.000 2.121 394 L HA 0.112 4.453 4.340 0.001 0.000 0.200 394 L C 1.740 178.648 176.870 0.063 0.000 1.077 394 L CA 1.270 56.132 54.840 0.037 0.000 0.766 394 L CB -0.496 41.590 42.059 0.044 0.000 0.931 394 L HN -0.023 nan 8.230 nan 0.000 0.452 395 L N -0.186 121.083 121.223 0.077 0.000 2.265 395 L HA -0.216 4.125 4.340 0.001 0.000 0.215 395 L C 2.540 179.465 176.870 0.092 0.000 1.117 395 L CA 1.203 56.113 54.840 0.117 0.000 0.782 395 L CB -0.529 41.590 42.059 0.100 0.000 0.914 395 L HN 0.348 nan 8.230 nan 0.000 0.441 396 K N 0.349 120.784 120.400 0.058 0.000 2.103 396 K HA -0.098 4.223 4.320 0.001 0.000 0.204 396 K C 2.007 178.629 176.600 0.037 0.000 1.052 396 K CA 1.125 57.438 56.287 0.043 0.000 0.945 396 K CB -0.008 32.509 32.500 0.029 0.000 0.722 396 K HN 0.271 nan 8.250 nan 0.000 0.443 397 A N 0.419 123.260 122.820 0.034 0.000 2.206 397 A HA 0.052 4.372 4.320 0.001 0.000 0.211 397 A C 1.667 179.266 177.584 0.026 0.000 1.158 397 A CA 0.660 52.711 52.037 0.024 0.000 0.761 397 A CB -0.107 18.902 19.000 0.015 0.000 0.801 397 A HN 0.258 nan 8.150 nan 0.000 0.473 398 L N -1.832 119.416 121.223 0.042 0.000 2.500 398 L HA 0.200 4.541 4.340 0.001 0.000 0.219 398 L C 2.052 178.924 176.870 0.003 0.000 1.057 398 L CA 0.273 55.129 54.840 0.025 0.000 0.854 398 L CB -0.064 42.035 42.059 0.067 0.000 1.078 398 L HN 0.293 nan 8.230 nan 0.000 0.480 399 L N 0.187 121.436 121.223 0.043 0.000 2.298 399 L HA 0.030 4.371 4.340 0.001 0.000 0.209 399 L C 0.597 177.481 176.870 0.022 0.000 1.084 399 L CA 0.645 55.508 54.840 0.038 0.000 0.816 399 L CB 0.201 42.314 42.059 0.089 0.000 0.967 399 L HN 0.200 nan 8.230 nan 0.000 0.460 400 K N -0.573 119.841 120.400 0.024 0.000 2.832 400 K HA 0.414 4.735 4.320 0.001 0.000 0.243 400 K C -3.011 173.598 176.600 0.015 0.000 1.117 400 K CA -1.393 54.904 56.287 0.017 0.000 1.068 400 K CB 1.281 33.793 32.500 0.019 0.000 1.286 400 K HN -0.230 nan 8.250 nan 0.000 0.553 401 P HA 0.092 nan 4.420 nan 0.000 0.276 401 P C -1.205 176.101 177.300 0.011 0.000 1.252 401 P CA -0.589 62.518 63.100 0.011 0.000 0.802 401 P CB 0.543 32.249 31.700 0.010 0.000 1.035 402 K N -0.245 120.161 120.400 0.011 0.000 2.533 402 K HA 0.549 4.869 4.320 0.001 0.000 0.207 402 K C -0.077 176.530 176.600 0.011 0.000 1.052 402 K CA -0.862 55.432 56.287 0.010 0.000 1.030 402 K CB -0.217 32.289 32.500 0.010 0.000 1.522 402 K HN 0.241 nan 8.250 nan 0.000 0.543 403 V N 3.247 123.167 119.914 0.011 0.000 2.452 403 V HA -0.096 4.025 4.120 0.001 0.000 0.286 403 V C 0.618 176.719 176.094 0.010 0.000 0.995 403 V CA 0.337 62.644 62.300 0.011 0.000 1.116 403 V CB -0.615 31.214 31.823 0.010 0.000 0.954 403 V HN 0.805 nan 8.190 nan 0.000 0.473 404 K N 4.076 124.483 120.400 0.011 0.000 2.109 404 K HA 0.926 5.247 4.320 0.001 0.000 0.243 404 K C -0.669 175.937 176.600 0.010 0.000 1.006 404 K CA -0.025 56.268 56.287 0.010 0.000 0.917 404 K CB 1.940 34.447 32.500 0.012 0.000 1.081 404 K HN 1.222 nan 8.250 nan 0.000 0.468 405 V N 0.618 120.536 119.914 0.008 0.000 2.439 405 V HA 0.495 4.615 4.120 0.001 0.000 0.277 405 V C 0.760 176.859 176.094 0.007 0.000 1.008 405 V CA -0.022 62.282 62.300 0.007 0.000 0.846 405 V CB 0.533 32.359 31.823 0.005 0.000 1.031 405 V HN 0.989 nan 8.190 nan 0.000 0.441 406 G N 3.245 112.050 108.800 0.008 0.000 2.708 406 G HA2 0.213 4.173 3.960 0.001 0.000 0.229 406 G HA3 0.213 4.173 3.960 0.001 0.000 0.229 406 G C 0.902 175.808 174.900 0.009 0.000 1.236 406 G CA 1.331 46.436 45.100 0.008 0.000 0.749 406 G HN 2.832 nan 8.290 nan 0.000 0.515 407 T N -2.120 112.439 114.554 0.008 0.000 4.998 407 T HA 0.788 5.138 4.350 0.001 0.000 0.217 407 T C 0.032 174.736 174.700 0.008 0.000 0.911 407 T CA 1.662 63.767 62.100 0.008 0.000 1.115 407 T CB -1.024 67.848 68.868 0.008 0.000 0.734 407 T HN 1.985 nan 8.240 nan 0.000 0.457 408 E N 0.804 121.009 120.200 0.008 0.000 2.580 408 E HA 1.017 5.367 4.350 0.001 0.000 0.178 408 E C -0.238 176.367 176.600 0.008 0.000 0.738 408 E CA 0.091 56.496 56.400 0.007 0.000 0.967 408 E CB 0.664 30.368 29.700 0.007 0.000 1.942 408 E HN 1.593 nan 8.360 nan 0.000 0.376 409 M N -1.820 117.784 119.600 0.008 0.000 2.447 409 M HA 0.592 5.072 4.480 0.001 0.000 0.292 409 M C -1.984 174.320 176.300 0.008 0.000 1.083 409 M CA -0.847 54.458 55.300 0.008 0.000 0.907 409 M CB 1.551 34.156 32.600 0.008 0.000 1.829 409 M HN 0.330 nan 8.290 nan 0.000 0.518 410 V N 1.726 121.645 119.914 0.008 0.000 2.380 410 V HA 0.309 4.429 4.120 0.001 0.000 0.268 410 V C 0.043 176.142 176.094 0.008 0.000 1.008 410 V CA -0.338 61.966 62.300 0.007 0.000 0.823 410 V CB 1.341 33.168 31.823 0.007 0.000 1.053 410 V HN 1.009 nan 8.190 nan 0.000 0.446 411 T N 5.891 120.450 114.554 0.008 0.000 2.867 411 T HA 0.320 4.670 4.350 0.001 0.000 0.297 411 T C -0.048 174.657 174.700 0.008 0.000 0.989 411 T CA 0.308 62.413 62.100 0.009 0.000 1.159 411 T CB 0.003 68.876 68.868 0.009 0.000 0.928 411 T HN 0.842 nan 8.240 nan 0.000 0.538 412 K N 1.437 121.842 120.400 0.009 0.000 2.557 412 K HA 0.611 4.931 4.320 0.001 0.000 0.257 412 K C -0.219 176.386 176.600 0.007 0.000 0.933 412 K CA -1.261 55.031 56.287 0.008 0.000 0.820 412 K CB 1.361 33.865 32.500 0.006 0.000 1.330 412 K HN 0.568 nan 8.250 nan 0.000 0.432 413 G N 1.623 110.428 108.800 0.008 0.000 2.547 413 G HA2 0.450 4.410 3.960 0.001 0.000 0.291 413 G HA3 0.450 4.410 3.960 0.001 0.000 0.291 413 G C -0.915 173.985 174.900 0.001 0.000 1.211 413 G CA -0.408 44.696 45.100 0.007 0.000 0.950 413 G HN 0.596 nan 8.290 nan 0.000 0.504 414 Q N -1.201 118.595 119.800 -0.006 0.000 2.544 414 Q HA 0.305 4.645 4.340 0.001 0.000 0.291 414 Q C -0.489 175.498 176.000 -0.021 0.000 1.068 414 Q CA -0.983 54.810 55.803 -0.016 0.000 0.785 414 Q CB 2.066 30.785 28.738 -0.030 0.000 1.481 414 Q HN 0.758 nan 8.270 nan 0.000 0.430 415 N N -0.692 117.993 118.700 -0.024 0.000 2.566 415 N HA 0.186 4.927 4.740 0.001 0.000 0.299 415 N C 0.529 176.012 175.510 -0.045 0.000 1.277 415 N CA -0.483 52.554 53.050 -0.022 0.000 0.965 415 N CB 0.358 38.839 38.487 -0.011 0.000 1.142 415 N HN 0.563 nan 8.380 nan 0.000 0.596 416 M N 0.183 119.766 119.600 -0.029 0.000 2.082 416 M HA -0.124 4.356 4.480 0.001 0.000 0.258 416 M C 1.128 177.391 176.300 -0.063 0.000 1.071 416 M CA 2.015 57.291 55.300 -0.038 0.000 1.103 416 M CB -1.199 31.399 32.600 -0.003 0.000 1.307 416 M HN 0.693 nan 8.290 nan 0.000 0.409 417 N N -1.430 117.248 118.700 -0.038 0.000 2.270 417 N HA -0.155 4.585 4.740 0.001 0.000 0.181 417 N C 1.676 177.158 175.510 -0.047 0.000 1.016 417 N CA 0.956 53.986 53.050 -0.034 0.000 0.870 417 N CB -0.148 38.330 38.487 -0.015 0.000 0.979 417 N HN 0.541 nan 8.380 nan 0.000 0.431 418 Q N 0.520 120.290 119.800 -0.050 0.000 2.135 418 Q HA -0.103 4.238 4.340 0.001 0.000 0.204 418 Q C 2.079 178.027 176.000 -0.086 0.000 0.981 418 Q CA 1.054 56.828 55.803 -0.050 0.000 0.856 418 Q CB 0.079 28.793 28.738 -0.040 0.000 0.902 418 Q HN 0.224 nan 8.270 nan 0.000 0.425 419 V N 0.363 120.187 119.914 -0.151 0.000 2.407 419 V HA -0.165 3.955 4.120 0.001 0.000 0.245 419 V C 2.246 178.172 176.094 -0.279 0.000 1.041 419 V CA 1.449 63.582 62.300 -0.278 0.000 1.040 419 V CB -0.007 31.527 31.823 -0.482 0.000 0.671 419 V HN 0.365 nan 8.190 nan 0.000 0.455 420 V N -1.122 118.675 119.914 -0.195 0.000 2.759 420 V HA -0.160 3.961 4.120 0.001 0.000 0.256 420 V C 1.904 177.994 176.094 -0.006 0.000 1.080 420 V CA 2.283 64.532 62.300 -0.084 0.000 1.101 420 V CB -1.143 30.669 31.823 -0.019 0.000 0.698 420 V HN 0.515 nan 8.190 nan 0.000 0.477 421 N N 1.015 119.702 118.700 -0.022 0.000 2.207 421 N HA -0.035 4.706 4.740 0.001 0.000 0.182 421 N C 2.017 177.537 175.510 0.017 0.000 1.020 421 N CA 1.562 54.617 53.050 0.008 0.000 0.858 421 N CB -0.374 38.114 38.487 0.001 0.000 0.991 421 N HN 0.454 nan 8.380 nan 0.000 0.427 422 S N -0.266 115.428 115.700 -0.010 0.000 2.399 422 S HA -0.046 4.425 4.470 0.001 0.000 0.231 422 S C 2.013 176.637 174.600 0.040 0.000 1.022 422 S CA 0.612 58.816 58.200 0.008 0.000 0.983 422 S CB -0.166 63.022 63.200 -0.019 0.000 0.803 422 S HN 0.083 nan 8.310 nan 0.000 0.480 423 V N 1.423 121.362 119.914 0.041 0.000 2.379 423 V HA -0.059 4.061 4.120 0.001 0.000 0.245 423 V C 2.610 178.812 176.094 0.180 0.000 1.044 423 V CA 1.758 64.134 62.300 0.127 0.000 1.036 423 V CB -1.404 30.513 31.823 0.158 0.000 0.664 423 V HN 0.558 nan 8.190 nan 0.000 0.453 424 G N -0.049 108.844 108.800 0.156 0.000 2.446 424 G HA2 -0.252 3.709 3.960 0.001 0.000 0.217 424 G HA3 -0.252 3.709 3.960 0.001 0.000 0.217 424 G C 1.799 176.734 174.900 0.059 0.000 1.168 424 G CA 1.125 46.288 45.100 0.105 0.000 0.771 424 G HN 0.591 nan 8.290 nan 0.000 0.551 425 A N 0.388 123.250 122.820 0.070 0.000 1.908 425 A HA -0.020 4.300 4.320 0.001 0.000 0.218 425 A C 2.379 180.028 177.584 0.109 0.000 1.181 425 A CA 1.823 53.907 52.037 0.077 0.000 0.627 425 A CB -0.459 18.582 19.000 0.068 0.000 0.818 425 A HN 0.501 nan 8.150 nan 0.000 0.445 426 L N -0.545 120.751 121.223 0.121 0.000 2.083 426 L HA -0.024 4.317 4.340 0.001 0.000 0.209 426 L C 2.609 179.589 176.870 0.184 0.000 1.083 426 L CA 2.035 56.966 54.840 0.153 0.000 0.752 426 L CB -0.639 41.501 42.059 0.134 0.000 0.899 426 L HN 0.339 nan 8.230 nan 0.000 0.433 427 A N -0.422 122.489 122.820 0.152 0.000 1.855 427 A HA -0.193 4.127 4.320 0.001 0.000 0.215 427 A C 2.292 179.967 177.584 0.152 0.000 1.191 427 A CA 1.792 53.910 52.037 0.136 0.000 0.613 427 A CB -0.481 18.488 19.000 -0.052 0.000 0.829 427 A HN 0.472 nan 8.150 nan 0.000 0.442 428 K N -0.211 120.243 120.400 0.090 0.000 2.032 428 K HA -0.154 4.166 4.320 0.001 0.000 0.209 428 K C 2.470 179.182 176.600 0.188 0.000 1.048 428 K CA 1.600 57.962 56.287 0.124 0.000 0.927 428 K CB -0.297 32.250 32.500 0.078 0.000 0.712 428 K HN 0.472 nan 8.250 nan 0.000 0.441 429 S N 1.186 116.995 115.700 0.182 0.000 2.355 429 S HA -0.127 4.343 4.470 0.001 0.000 0.222 429 S C 1.992 176.721 174.600 0.216 0.000 1.031 429 S CA 0.896 59.209 58.200 0.188 0.000 0.993 429 S CB -0.211 63.122 63.200 0.221 0.000 0.859 429 S HN 0.253 nan 8.310 nan 0.000 0.453 430 L N 0.514 121.923 121.223 0.310 0.000 2.046 430 L HA -0.002 4.339 4.340 0.001 0.000 0.208 430 L C 2.072 179.096 176.870 0.258 0.000 1.077 430 L CA 2.082 57.123 54.840 0.335 0.000 0.747 430 L CB -1.136 41.141 42.059 0.363 0.000 0.896 430 L HN 0.502 nan 8.230 nan 0.000 0.432 431 Y N 0.246 120.656 120.300 0.184 0.000 2.114 431 Y HA -0.277 4.274 4.550 0.001 0.000 0.284 431 Y C 2.488 178.470 175.900 0.136 0.000 1.143 431 Y CA 2.211 60.424 58.100 0.188 0.000 1.135 431 Y CB -0.417 38.173 38.460 0.217 0.000 0.980 431 Y HN 0.460 nan 8.280 nan 0.000 0.499 432 D N -0.575 119.968 120.400 0.237 0.000 2.104 432 D HA -0.201 4.439 4.640 0.001 0.000 0.194 432 D C 2.302 178.639 176.300 0.062 0.000 0.994 432 D CA 1.487 55.556 54.000 0.115 0.000 0.830 432 D CB -0.183 40.681 40.800 0.106 0.000 0.959 432 D HN 0.178 nan 8.370 nan 0.000 0.452 433 R N -0.730 119.785 120.500 0.026 0.000 2.120 433 R HA -0.081 4.259 4.340 0.001 0.000 0.234 433 R C 2.298 178.588 176.300 -0.015 0.000 1.123 433 R CA 1.195 57.263 56.100 -0.055 0.000 0.975 433 R CB -0.188 29.974 30.300 -0.231 0.000 0.866 433 R HN 0.343 nan 8.270 nan 0.000 0.446 434 M N -0.813 118.781 119.600 -0.011 0.000 2.334 434 M HA -0.068 4.412 4.480 0.001 0.000 0.266 434 M C 1.587 177.869 176.300 -0.029 0.000 1.082 434 M CA 1.228 56.524 55.300 -0.006 0.000 1.141 434 M CB 0.033 32.593 32.600 -0.068 0.000 1.380 434 M HN 0.123 nan 8.290 nan 0.000 0.440 435 F N 1.394 121.176 119.950 -0.281 0.000 2.113 435 F HA -0.190 4.338 4.527 0.001 0.000 0.297 435 F C 1.937 177.604 175.800 -0.222 0.000 1.103 435 F CA 1.696 59.489 58.000 -0.345 0.000 1.248 435 F CB -0.323 38.452 39.000 -0.374 0.000 0.999 435 F HN 0.233 nan 8.300 nan 0.000 0.475 436 N N -0.577 118.172 118.700 0.081 0.000 2.289 436 N HA -0.225 4.515 4.740 0.001 0.000 0.184 436 N C 1.546 176.997 175.510 -0.097 0.000 1.016 436 N CA 1.299 54.343 53.050 -0.009 0.000 0.872 436 N CB -0.731 37.779 38.487 0.038 0.000 0.973 436 N HN 0.548 nan 8.380 nan 0.000 0.433 437 W N 1.852 123.044 121.300 -0.180 0.000 2.409 437 W HA 0.098 4.758 4.660 0.001 0.000 0.299 437 W C 2.050 178.451 176.519 -0.198 0.000 1.203 437 W CA 0.401 57.645 57.345 -0.170 0.000 1.298 437 W CB -0.524 28.846 29.460 -0.150 0.000 1.127 437 W HN -0.077 nan 8.180 nan 0.000 0.528 438 L N 0.225 121.291 121.223 -0.262 0.000 2.079 438 L HA -0.247 4.093 4.340 0.001 0.000 0.210 438 L C 2.051 178.585 176.870 -0.560 0.000 1.081 438 L CA 1.791 56.364 54.840 -0.443 0.000 0.752 438 L CB -0.808 40.934 42.059 -0.529 0.000 0.896 438 L HN -0.080 nan 8.230 nan 0.000 0.433 439 V N -0.197 119.385 119.914 -0.553 0.000 2.270 439 V HA -0.268 3.853 4.120 0.001 0.000 0.245 439 V C 2.590 178.447 176.094 -0.394 0.000 1.043 439 V CA 1.749 63.780 62.300 -0.449 0.000 1.014 439 V CB -0.641 30.957 31.823 -0.375 0.000 0.645 439 V HN 0.454 nan 8.190 nan 0.000 0.447 440 R N -0.143 120.106 120.500 -0.417 0.000 2.096 440 R HA -0.240 4.101 4.340 0.001 0.000 0.240 440 R C 2.505 178.517 176.300 -0.481 0.000 1.139 440 R CA 1.926 57.791 56.100 -0.391 0.000 0.952 440 R CB -0.497 29.579 30.300 -0.373 0.000 0.854 440 R HN 0.279 nan 8.270 nan 0.000 0.436 441 R N 1.038 121.077 120.500 -0.768 0.000 2.083 441 R HA -0.111 4.229 4.340 0.001 0.000 0.237 441 R C 2.042 178.089 176.300 -0.421 0.000 1.137 441 R CA 1.538 57.182 56.100 -0.759 0.000 0.951 441 R CB -0.855 28.686 30.300 -1.263 0.000 0.851 441 R HN 0.075 nan 8.270 nan 0.000 0.434 442 V N 1.474 121.201 119.914 -0.311 0.000 2.343 442 V HA -0.251 3.870 4.120 0.001 0.000 0.247 442 V C 1.863 177.848 176.094 -0.181 0.000 1.051 442 V CA 2.125 64.319 62.300 -0.176 0.000 1.036 442 V CB -0.658 31.041 31.823 -0.206 0.000 0.654 442 V HN 0.383 nan 8.190 nan 0.000 0.451 443 N N 0.101 118.674 118.700 -0.211 0.000 2.166 443 N HA -0.133 4.608 4.740 0.001 0.000 0.186 443 N C 1.825 177.238 175.510 -0.162 0.000 1.019 443 N CA 0.993 53.941 53.050 -0.170 0.000 0.856 443 N CB -0.320 38.067 38.487 -0.166 0.000 0.993 443 N HN 0.389 nan 8.380 nan 0.000 0.426 444 K N 0.561 120.842 120.400 -0.199 0.000 2.044 444 K HA -0.079 4.241 4.320 0.001 0.000 0.210 444 K C 1.945 178.455 176.600 -0.150 0.000 1.049 444 K CA 1.286 57.465 56.287 -0.181 0.000 0.927 444 K CB -0.846 31.517 32.500 -0.227 0.000 0.713 444 K HN 0.266 nan 8.250 nan 0.000 0.443 445 T N 2.074 116.539 114.554 -0.149 0.000 2.701 445 T HA -0.041 4.309 4.350 0.001 0.000 0.263 445 T C 1.898 176.543 174.700 -0.093 0.000 1.040 445 T CA 0.945 62.980 62.100 -0.107 0.000 1.147 445 T CB -0.141 68.685 68.868 -0.070 0.000 0.865 445 T HN 0.133 nan 8.240 nan 0.000 0.426 446 L N 1.074 122.239 121.223 -0.097 0.000 2.622 446 L HA 0.113 4.454 4.340 0.001 0.000 0.233 446 L C 0.752 177.569 176.870 -0.088 0.000 1.156 446 L CA 0.264 55.051 54.840 -0.089 0.000 0.866 446 L CB -0.433 41.572 42.059 -0.090 0.000 0.980 446 L HN 0.142 nan 8.230 nan 0.000 0.448 447 D N 1.322 121.663 120.400 -0.098 0.000 2.522 447 D HA 0.043 4.683 4.640 0.001 0.000 0.218 447 D C 0.443 176.684 176.300 -0.099 0.000 1.149 447 D CA -0.212 53.725 54.000 -0.104 0.000 0.981 447 D CB 0.418 41.151 40.800 -0.111 0.000 1.041 447 D HN 0.051 nan 8.370 nan 0.000 0.518 448 T N 0.413 114.910 114.554 -0.095 0.000 2.806 448 T HA 0.301 4.651 4.350 0.001 0.000 0.290 448 T C 0.722 175.365 174.700 -0.094 0.000 0.966 448 T CA -0.931 61.118 62.100 -0.086 0.000 1.060 448 T CB 1.280 70.101 68.868 -0.078 0.000 0.927 448 T HN 0.002 nan 8.240 nan 0.000 0.485 449 K N 2.611 122.962 120.400 -0.083 0.000 3.225 449 K HA 0.443 4.763 4.320 0.001 0.000 0.282 449 K C 0.837 177.391 176.600 -0.076 0.000 1.060 449 K CA -0.127 56.110 56.287 -0.083 0.000 1.186 449 K CB -0.914 31.544 32.500 -0.070 0.000 1.214 449 K HN 0.802 nan 8.250 nan 0.000 0.428 450 A N 0.575 123.348 122.820 -0.079 0.000 2.327 450 A HA 0.292 4.613 4.320 0.001 0.000 0.255 450 A C 0.021 177.563 177.584 -0.070 0.000 1.099 450 A CA -0.425 51.572 52.037 -0.066 0.000 0.801 450 A CB 0.280 19.243 19.000 -0.061 0.000 1.062 450 A HN 0.195 nan 8.150 nan 0.000 0.496 451 K N 0.510 120.877 120.400 -0.056 0.000 2.339 451 K HA 0.291 4.611 4.320 0.001 0.000 0.286 451 K C -0.451 176.112 176.600 -0.062 0.000 1.050 451 K CA 0.520 56.772 56.287 -0.060 0.000 0.956 451 K CB 0.173 32.643 32.500 -0.050 0.000 0.990 451 K HN 0.582 nan 8.250 nan 0.000 0.475 452 R N 3.935 124.391 120.500 -0.074 0.000 2.445 452 R HA 0.380 4.720 4.340 0.001 0.000 0.308 452 R C 0.268 176.510 176.300 -0.097 0.000 0.961 452 R CA -0.740 55.330 56.100 -0.050 0.000 0.862 452 R CB 1.281 31.545 30.300 -0.060 0.000 1.144 452 R HN 0.673 nan 8.270 nan 0.000 0.447 453 N N 0.909 119.483 118.700 -0.211 0.000 2.557 453 N HA 0.078 4.819 4.740 0.001 0.000 0.217 453 N C -0.607 174.605 175.510 -0.497 0.000 1.062 453 N CA 0.817 53.542 53.050 -0.542 0.000 0.863 453 N CB 0.585 38.404 38.487 -1.113 0.000 1.390 453 N HN 0.348 nan 8.380 nan 0.000 0.445 454 Y N -0.354 120.057 120.300 0.185 0.000 2.615 454 Y HA 0.490 5.040 4.550 0.001 0.000 0.341 454 Y C -0.760 175.330 175.900 0.317 0.000 1.089 454 Y CA -1.718 56.469 58.100 0.147 0.000 1.049 454 Y CB 0.662 39.126 38.460 0.006 0.000 1.296 454 Y HN -0.012 nan 8.280 nan 0.000 0.470 455 Y N -1.172 119.324 120.300 0.327 0.000 2.581 455 Y HA 0.869 5.419 4.550 0.001 0.000 0.345 455 Y C -1.800 174.191 175.900 0.151 0.000 1.036 455 Y CA -2.301 55.924 58.100 0.208 0.000 1.042 455 Y CB 1.475 39.882 38.460 -0.089 0.000 1.289 455 Y HN 0.539 nan 8.280 nan 0.000 0.471 456 I N 2.849 123.677 120.570 0.431 0.000 2.382 456 I HA 0.515 4.685 4.170 0.001 0.000 0.285 456 I C 0.195 176.466 176.117 0.256 0.000 1.007 456 I CA -0.781 60.677 61.300 0.263 0.000 1.142 456 I CB 1.435 39.576 38.000 0.235 0.000 1.289 456 I HN 0.987 nan 8.210 nan 0.000 0.453 457 G N 5.702 114.679 108.800 0.295 0.000 2.377 457 G HA2 0.564 4.524 3.960 0.001 0.000 0.299 457 G HA3 0.564 4.524 3.960 0.001 0.000 0.299 457 G C -0.746 174.179 174.900 0.042 0.000 1.150 457 G CA -0.254 44.851 45.100 0.007 0.000 0.847 457 G HN 0.322 nan 8.290 nan 0.000 0.501 458 V N 2.878 122.706 119.914 -0.144 0.000 2.487 458 V HA 0.425 4.545 4.120 0.001 0.000 0.298 458 V C -0.426 175.767 176.094 0.165 0.000 1.028 458 V CA -0.781 61.546 62.300 0.044 0.000 0.860 458 V CB 1.372 33.200 31.823 0.009 0.000 0.991 458 V HN 0.680 nan 8.190 nan 0.000 0.427 459 L N 4.092 125.489 121.223 0.290 0.000 2.307 459 L HA 0.785 5.125 4.340 0.001 0.000 0.284 459 L C -0.730 176.215 176.870 0.125 0.000 1.023 459 L CA 0.225 55.254 54.840 0.315 0.000 0.810 459 L CB 1.655 43.821 42.059 0.180 0.000 1.231 459 L HN 0.773 nan 8.230 nan 0.000 0.423 460 D N 5.208 125.665 120.400 0.096 0.000 2.363 460 D HA 0.289 4.929 4.640 0.001 0.000 0.258 460 D C -0.359 175.922 176.300 -0.033 0.000 1.259 460 D CA -0.389 53.621 54.000 0.016 0.000 0.921 460 D CB 0.412 41.208 40.800 -0.007 0.000 1.201 460 D HN 0.524 nan 8.370 nan 0.000 0.524 461 I N -0.653 119.899 120.570 -0.030 0.000 3.244 461 I HA 0.779 4.950 4.170 0.001 0.000 0.314 461 I C 0.241 176.320 176.117 -0.063 0.000 1.043 461 I CA -1.289 59.981 61.300 -0.049 0.000 1.099 461 I CB 1.141 39.111 38.000 -0.051 0.000 1.449 461 I HN 0.269 nan 8.210 nan 0.000 0.625 462 A N 2.041 124.826 122.820 -0.058 0.000 2.354 462 A HA 0.564 4.885 4.320 0.001 0.000 0.281 462 A C 0.565 178.138 177.584 -0.019 0.000 1.174 462 A CA -0.015 51.995 52.037 -0.047 0.000 0.828 462 A CB -0.497 18.476 19.000 -0.044 0.000 1.099 462 A HN 1.022 nan 8.150 nan 0.000 0.516 463 G N 0.903 109.706 108.800 0.005 0.000 2.750 463 G HA2 0.330 4.290 3.960 0.001 0.000 0.250 463 G HA3 0.330 4.290 3.960 0.001 0.000 0.250 463 G C -0.046 174.892 174.900 0.065 0.000 1.230 463 G CA -0.427 44.706 45.100 0.055 0.000 0.883 463 G HN 0.728 nan 8.290 nan 0.000 0.573 464 F N 0.790 120.730 119.950 -0.016 0.000 2.518 464 F HA 0.385 4.912 4.527 0.000 0.000 0.359 464 F C 0.783 176.533 175.800 -0.083 0.000 1.118 464 F CA 0.065 58.034 58.000 -0.050 0.000 1.287 464 F CB 0.640 39.616 39.000 -0.040 0.000 1.132 464 F HN 0.653 nan 8.300 nan 0.000 0.587 465 E N 5.406 125.094 120.200 -0.853 0.000 2.392 465 E HA 0.532 4.883 4.350 0.001 0.000 0.279 465 E C -1.786 174.378 176.600 -0.725 0.000 0.964 465 E CA -0.900 55.154 56.400 -0.578 0.000 0.777 465 E CB 1.892 31.328 29.700 -0.440 0.000 1.249 465 E HN 0.567 nan 8.360 nan 0.000 0.449 466 I N 2.949 123.304 120.570 -0.358 0.000 2.476 466 I HA 0.356 4.527 4.170 0.001 0.000 0.281 466 I C -0.645 175.496 176.117 0.039 0.000 1.040 466 I CA -0.568 60.587 61.300 -0.241 0.000 1.094 466 I CB 0.714 38.642 38.000 -0.120 0.000 1.219 466 I HN 0.451 nan 8.210 nan 0.000 0.450 467 F N 3.424 123.300 119.950 -0.124 0.000 2.364 467 F HA 0.243 4.770 4.527 0.000 0.000 0.316 467 F C 1.436 177.215 175.800 -0.036 0.000 1.133 467 F CA -1.013 56.953 58.000 -0.057 0.000 1.051 467 F CB 1.115 40.103 39.000 -0.020 0.000 1.342 467 F HN 0.468 nan 8.300 nan 0.000 0.507 468 D N 0.133 120.662 120.400 0.215 0.000 2.269 468 D HA -0.083 4.557 4.640 0.001 0.000 0.208 468 D C -0.351 176.088 176.300 0.232 0.000 0.963 468 D CA 1.412 55.498 54.000 0.142 0.000 0.864 468 D CB 0.167 41.020 40.800 0.088 0.000 0.936 468 D HN 0.076 nan 8.370 nan 0.000 0.505 469 F N 1.740 121.758 119.950 0.114 0.000 2.539 469 F HA 0.304 4.831 4.527 0.000 0.000 0.328 469 F C -1.064 174.830 175.800 0.158 0.000 1.148 469 F CA -1.117 56.946 58.000 0.106 0.000 0.940 469 F CB 0.931 40.002 39.000 0.118 0.000 1.194 469 F HN -0.345 nan 8.300 nan 0.000 0.438 470 N N 4.567 123.021 118.700 -0.410 0.000 2.392 470 N HA 0.381 5.121 4.740 0.001 0.000 0.283 470 N C -0.854 174.507 175.510 -0.248 0.000 1.003 470 N CA -0.276 52.601 53.050 -0.290 0.000 0.892 470 N CB 2.144 40.426 38.487 -0.341 0.000 1.193 470 N HN 0.580 nan 8.380 nan 0.000 0.487 471 S N 0.725 116.410 115.700 -0.026 0.000 2.921 471 S HA 0.378 4.848 4.470 0.001 0.000 0.315 471 S C 0.819 175.515 174.600 0.161 0.000 1.087 471 S CA -0.498 57.841 58.200 0.231 0.000 0.877 471 S CB 0.273 63.583 63.200 0.182 0.000 1.340 471 S HN 0.359 nan 8.310 nan 0.000 0.622 472 F N 2.198 121.891 119.950 -0.427 0.000 2.115 472 F HA -0.112 4.415 4.527 0.001 0.000 0.300 472 F C 2.024 177.559 175.800 -0.442 0.000 1.092 472 F CA 2.622 60.051 58.000 -0.951 0.000 1.245 472 F CB -0.781 37.571 39.000 -1.079 0.000 0.995 472 F HN 0.647 nan 8.300 nan 0.000 0.481 473 E N 0.037 120.125 120.200 -0.188 0.000 2.048 473 E HA -0.291 4.060 4.350 0.001 0.000 0.202 473 E C 2.116 178.559 176.600 -0.263 0.000 1.021 473 E CA 2.117 58.391 56.400 -0.210 0.000 0.825 473 E CB -0.549 29.114 29.700 -0.062 0.000 0.756 473 E HN 0.417 nan 8.360 nan 0.000 0.454 474 Q N 0.001 119.686 119.800 -0.192 0.000 2.124 474 Q HA -0.046 4.295 4.340 0.001 0.000 0.202 474 Q C 2.139 178.092 176.000 -0.079 0.000 0.977 474 Q CA 0.712 56.405 55.803 -0.183 0.000 0.850 474 Q CB -0.303 28.334 28.738 -0.167 0.000 0.901 474 Q HN 0.263 nan 8.270 nan 0.000 0.429 475 L N -0.286 120.857 121.223 -0.135 0.000 1.970 475 L HA -0.276 4.064 4.340 0.001 0.000 0.212 475 L C 1.891 178.657 176.870 -0.174 0.000 1.071 475 L CA 1.778 56.464 54.840 -0.257 0.000 0.751 475 L CB -0.663 41.095 42.059 -0.503 0.000 0.889 475 L HN 0.383 nan 8.230 nan 0.000 0.432 476 C N 0.286 119.346 119.300 -0.401 0.000 2.376 476 C HA -0.253 4.207 4.460 0.001 0.000 0.275 476 C C 2.735 177.681 174.990 -0.074 0.000 1.200 476 C CA 1.119 59.955 59.018 -0.304 0.000 1.756 476 C CB -0.916 26.436 27.740 -0.647 0.000 2.050 476 C HN 0.531 nan 8.230 nan 0.000 0.460 477 I N 1.124 121.601 120.570 -0.155 0.000 2.090 477 I HA -0.208 3.962 4.170 0.001 0.000 0.236 477 I C 2.141 178.237 176.117 -0.036 0.000 1.064 477 I CA 1.641 62.879 61.300 -0.105 0.000 1.324 477 I CB -0.670 37.226 38.000 -0.174 0.000 1.044 477 I HN 0.384 nan 8.210 nan 0.000 0.399 478 N N 0.235 118.878 118.700 -0.096 0.000 2.258 478 N HA -0.259 4.481 4.740 0.001 0.000 0.187 478 N C 1.686 177.249 175.510 0.087 0.000 1.012 478 N CA 1.288 54.299 53.050 -0.064 0.000 0.870 478 N CB -0.583 37.674 38.487 -0.382 0.000 0.977 478 N HN 0.439 nan 8.380 nan 0.000 0.434 479 Y N 2.059 122.374 120.300 0.025 0.000 2.133 479 Y HA -0.134 4.416 4.550 0.001 0.000 0.287 479 Y C 2.250 178.204 175.900 0.090 0.000 1.134 479 Y CA 1.477 59.645 58.100 0.113 0.000 1.133 479 Y CB -0.836 37.688 38.460 0.108 0.000 0.987 479 Y HN -0.043 nan 8.280 nan 0.000 0.502 480 T N 1.434 115.902 114.554 -0.143 0.000 2.720 480 T HA -0.211 4.139 4.350 0.001 0.000 0.268 480 T C 1.744 176.340 174.700 -0.173 0.000 1.037 480 T CA 1.732 63.676 62.100 -0.259 0.000 1.144 480 T CB -0.367 68.460 68.868 -0.067 0.000 0.864 480 T HN 0.498 nan 8.240 nan 0.000 0.444 481 N N 0.546 119.233 118.700 -0.021 0.000 2.188 481 N HA -0.091 4.649 4.740 0.001 0.000 0.184 481 N C 1.974 177.434 175.510 -0.084 0.000 1.018 481 N CA 0.789 53.865 53.050 0.045 0.000 0.858 481 N CB -0.073 38.591 38.487 0.294 0.000 0.989 481 N HN 0.412 nan 8.380 nan 0.000 0.426 482 E N 1.228 121.432 120.200 0.007 0.000 2.038 482 E HA -0.191 4.159 4.350 0.001 0.000 0.195 482 E C 1.995 178.501 176.600 -0.157 0.000 1.000 482 E CA 1.012 57.377 56.400 -0.058 0.000 0.803 482 E CB -0.116 29.730 29.700 0.244 0.000 0.750 482 E HN 0.134 nan 8.360 nan 0.000 0.448 483 R N 0.891 121.288 120.500 -0.171 0.000 2.189 483 R HA -0.016 4.325 4.340 0.001 0.000 0.223 483 R C 2.249 178.494 176.300 -0.093 0.000 1.092 483 R CA 0.595 56.595 56.100 -0.167 0.000 0.989 483 R CB -0.422 29.651 30.300 -0.377 0.000 0.876 483 R HN 0.197 nan 8.270 nan 0.000 0.457 484 L N -0.484 120.666 121.223 -0.121 0.000 2.249 484 L HA -0.010 4.330 4.340 0.001 0.000 0.207 484 L C 1.956 178.847 176.870 0.035 0.000 1.090 484 L CA 0.947 55.772 54.840 -0.024 0.000 0.802 484 L CB -0.115 41.903 42.059 -0.068 0.000 0.947 484 L HN 0.241 nan 8.230 nan 0.000 0.453 485 Q N -0.047 119.646 119.800 -0.178 0.000 2.167 485 Q HA -0.286 4.055 4.340 0.001 0.000 0.202 485 Q C 2.039 178.017 176.000 -0.038 0.000 0.970 485 Q CA 1.862 57.510 55.803 -0.259 0.000 0.855 485 Q CB -0.079 28.192 28.738 -0.778 0.000 0.911 485 Q HN 0.437 nan 8.270 nan 0.000 0.438 486 Q N -0.816 118.974 119.800 -0.017 0.000 2.172 486 Q HA -0.078 4.262 4.340 0.001 0.000 0.200 486 Q C 1.588 177.691 176.000 0.171 0.000 0.964 486 Q CA 1.421 57.277 55.803 0.089 0.000 0.855 486 Q CB -0.530 28.256 28.738 0.079 0.000 0.918 486 Q HN 0.531 nan 8.270 nan 0.000 0.444 487 F N -0.406 119.583 119.950 0.065 0.000 2.293 487 F HA -0.092 4.436 4.527 0.001 0.000 0.300 487 F C 1.566 177.456 175.800 0.150 0.000 1.086 487 F CA 1.054 59.101 58.000 0.078 0.000 1.375 487 F CB -0.200 38.782 39.000 -0.029 0.000 1.045 487 F HN 0.232 nan 8.300 nan 0.000 0.516 488 F N 2.000 121.899 119.950 -0.085 0.000 2.149 488 F HA -0.114 4.413 4.527 0.001 0.000 0.294 488 F C 2.186 177.760 175.800 -0.377 0.000 1.095 488 F CA 2.096 59.832 58.000 -0.440 0.000 1.276 488 F CB -0.852 37.770 39.000 -0.630 0.000 1.023 488 F HN 0.081 nan 8.300 nan 0.000 0.480 489 N N -1.267 117.453 118.700 0.034 0.000 2.270 489 N HA -0.249 4.491 4.740 0.001 0.000 0.181 489 N C 1.955 177.496 175.510 0.051 0.000 1.016 489 N CA 0.988 54.126 53.050 0.146 0.000 0.870 489 N CB -0.975 37.822 38.487 0.518 0.000 0.979 489 N HN 0.423 nan 8.380 nan 0.000 0.431 490 H N 1.297 120.339 119.070 -0.046 0.000 2.353 490 H HA -0.159 4.397 4.556 0.001 0.000 0.300 490 H C 1.829 177.043 175.328 -0.188 0.000 1.090 490 H CA 1.481 57.508 56.048 -0.035 0.000 1.327 490 H CB -0.262 29.517 29.762 0.027 0.000 1.383 490 H HN 0.366 nan 8.280 nan 0.000 0.508 491 H N -0.217 118.636 119.070 -0.361 0.000 2.428 491 H HA -0.063 4.493 4.556 0.001 0.000 0.296 491 H C 1.971 176.932 175.328 -0.611 0.000 1.062 491 H CA 1.240 57.007 56.048 -0.468 0.000 1.350 491 H CB 0.144 29.547 29.762 -0.597 0.000 1.403 491 H HN 0.337 nan 8.280 nan 0.000 0.533 492 M N -0.731 118.344 119.600 -0.875 0.000 2.514 492 M HA 0.059 4.539 4.480 0.001 0.000 0.258 492 M C 0.524 176.034 176.300 -1.316 0.000 1.119 492 M CA 1.042 55.581 55.300 -1.270 0.000 1.111 492 M CB 0.214 31.535 32.600 -2.132 0.000 1.390 492 M HN 0.159 nan 8.290 nan 0.000 0.475 493 F N -2.753 116.934 119.950 -0.438 0.000 2.658 493 F HA 0.301 4.828 4.527 0.001 0.000 0.293 493 F C 1.564 177.242 175.800 -0.203 0.000 0.986 493 F CA -0.136 57.668 58.000 -0.326 0.000 1.182 493 F CB 0.082 38.942 39.000 -0.233 0.000 0.965 493 F HN -0.143 nan 8.300 nan 0.000 0.659 494 I N 0.101 120.606 120.570 -0.108 0.000 2.364 494 I HA -0.129 4.041 4.170 0.001 0.000 0.241 494 I C 2.145 178.095 176.117 -0.278 0.000 1.082 494 I CA 0.877 62.093 61.300 -0.140 0.000 1.401 494 I CB -0.302 37.477 38.000 -0.368 0.000 1.126 494 I HN 0.069 nan 8.210 nan 0.000 0.429 495 L N 0.690 121.630 121.223 -0.472 0.000 2.046 495 L HA -0.236 4.104 4.340 0.001 0.000 0.208 495 L C 2.595 179.197 176.870 -0.446 0.000 1.077 495 L CA 1.427 56.034 54.840 -0.387 0.000 0.747 495 L CB -0.503 41.321 42.059 -0.392 0.000 0.896 495 L HN 0.283 nan 8.230 nan 0.000 0.432 496 E N 0.428 120.291 120.200 -0.562 0.000 2.086 496 E HA -0.297 4.053 4.350 0.001 0.000 0.200 496 E C 2.145 178.154 176.600 -0.984 0.000 1.012 496 E CA 1.858 57.834 56.400 -0.705 0.000 0.812 496 E CB -0.056 29.272 29.700 -0.620 0.000 0.743 496 E HN 0.449 nan 8.360 nan 0.000 0.453 497 Q N -0.535 118.906 119.800 -0.599 0.000 2.187 497 Q HA -0.106 4.235 4.340 0.001 0.000 0.199 497 Q C 2.165 178.034 176.000 -0.219 0.000 0.957 497 Q CA 1.099 56.636 55.803 -0.445 0.000 0.857 497 Q CB -0.096 28.720 28.738 0.130 0.000 0.929 497 Q HN 0.450 nan 8.270 nan 0.000 0.453 498 E N 1.229 121.340 120.200 -0.148 0.000 2.110 498 E HA -0.270 4.081 4.350 0.001 0.000 0.193 498 E C 1.733 178.259 176.600 -0.123 0.000 0.988 498 E CA 1.253 57.608 56.400 -0.074 0.000 0.804 498 E CB 0.178 29.832 29.700 -0.076 0.000 0.745 498 E HN 0.192 nan 8.360 nan 0.000 0.458 499 E N 0.153 120.208 120.200 -0.243 0.000 2.051 499 E HA -0.200 4.151 4.350 0.001 0.000 0.192 499 E C 1.803 178.328 176.600 -0.125 0.000 0.991 499 E CA 1.722 58.018 56.400 -0.173 0.000 0.799 499 E CB -0.569 29.002 29.700 -0.216 0.000 0.748 499 E HN 0.529 nan 8.360 nan 0.000 0.449 500 Y N 0.651 120.747 120.300 -0.341 0.000 2.070 500 Y HA -0.258 4.292 4.550 0.000 0.000 0.280 500 Y C 2.449 178.170 175.900 -0.297 0.000 1.148 500 Y CA 1.290 59.060 58.100 -0.550 0.000 1.125 500 Y CB -0.223 37.779 38.460 -0.763 0.000 0.975 500 Y HN 0.002 nan 8.280 nan 0.000 0.492 501 K N 0.504 120.930 120.400 0.044 0.000 2.074 501 K HA -0.251 4.069 4.320 0.001 0.000 0.209 501 K C 2.020 178.632 176.600 0.020 0.000 1.048 501 K CA 1.804 58.136 56.287 0.075 0.000 0.926 501 K CB -0.237 32.336 32.500 0.122 0.000 0.713 501 K HN 0.173 nan 8.250 nan 0.000 0.444 502 K N 1.036 121.437 120.400 0.001 0.000 2.283 502 K HA -0.128 4.193 4.320 0.001 0.000 0.202 502 K C 0.918 177.525 176.600 0.012 0.000 1.048 502 K CA 1.110 57.401 56.287 0.006 0.000 0.948 502 K CB 0.285 32.786 32.500 0.002 0.000 0.742 502 K HN -0.011 nan 8.250 nan 0.000 0.458 503 E N -0.193 120.004 120.200 -0.005 0.000 2.403 503 E HA 0.061 4.412 4.350 0.001 0.000 0.188 503 E C 0.677 177.261 176.600 -0.027 0.000 1.056 503 E CA 0.530 56.938 56.400 0.014 0.000 0.892 503 E CB 0.575 30.311 29.700 0.061 0.000 1.049 503 E HN 0.554 nan 8.360 nan 0.000 0.465 504 G N 1.576 110.360 108.800 -0.026 0.000 2.168 504 G HA2 -0.309 3.652 3.960 0.001 0.000 0.263 504 G HA3 -0.309 3.652 3.960 0.001 0.000 0.263 504 G C 0.430 175.293 174.900 -0.061 0.000 0.977 504 G CA 0.180 45.264 45.100 -0.026 0.000 0.659 504 G HN 0.338 nan 8.290 nan 0.000 0.533 505 I N 1.584 122.083 120.570 -0.119 0.000 2.452 505 I HA 0.424 4.594 4.170 0.001 0.000 0.287 505 I C 1.227 177.341 176.117 -0.006 0.000 1.079 505 I CA -0.087 61.113 61.300 -0.166 0.000 1.387 505 I CB 1.251 39.011 38.000 -0.400 0.000 1.404 505 I HN 0.291 nan 8.210 nan 0.000 0.522 506 A N 8.817 131.644 122.820 0.012 0.000 2.476 506 A HA 0.092 4.412 4.320 0.001 0.000 0.275 506 A C -0.635 177.077 177.584 0.212 0.000 1.133 506 A CA 0.015 52.099 52.037 0.079 0.000 0.797 506 A CB -0.076 18.943 19.000 0.030 0.000 1.081 506 A HN 0.852 nan 8.150 nan 0.000 0.510 507 W N 3.779 125.086 121.300 0.012 0.000 3.132 507 W HA 0.336 4.997 4.660 0.001 0.000 0.337 507 W C -1.184 175.384 176.519 0.083 0.000 1.082 507 W CA -0.421 56.959 57.345 0.058 0.000 1.242 507 W CB 1.072 30.602 29.460 0.117 0.000 1.354 507 W HN 0.777 nan 8.180 nan 0.000 0.461 508 E N 4.935 124.875 120.200 -0.433 0.000 2.194 508 E HA 0.100 4.451 4.350 0.001 0.000 0.284 508 E C -0.684 175.618 176.600 -0.497 0.000 1.035 508 E CA -0.660 55.544 56.400 -0.327 0.000 0.836 508 E CB 0.829 30.343 29.700 -0.310 0.000 1.070 508 E HN 0.343 nan 8.360 nan 0.000 0.401 509 F N 5.129 124.961 119.950 -0.197 0.000 2.572 509 F HA 0.173 4.700 4.527 0.001 0.000 0.370 509 F C -0.345 175.394 175.800 -0.102 0.000 1.103 509 F CA 0.284 58.271 58.000 -0.021 0.000 1.286 509 F CB 0.400 39.444 39.000 0.075 0.000 1.105 509 F HN 0.357 nan 8.300 nan 0.000 0.583 510 I N 5.115 125.177 120.570 -0.847 0.000 2.603 510 I HA 0.207 4.377 4.170 0.001 0.000 0.300 510 I C -0.933 174.657 176.117 -0.879 0.000 1.017 510 I CA -0.863 60.019 61.300 -0.696 0.000 1.098 510 I CB 1.815 39.428 38.000 -0.645 0.000 1.279 510 I HN 0.465 nan 8.210 nan 0.000 0.437 511 D N 5.186 125.320 120.400 -0.443 0.000 2.461 511 D HA 0.236 4.876 4.640 0.001 0.000 0.240 511 D C 0.108 176.250 176.300 -0.264 0.000 1.094 511 D CA -0.370 53.558 54.000 -0.120 0.000 0.868 511 D CB 0.813 41.674 40.800 0.102 0.000 1.062 511 D HN 0.269 nan 8.370 nan 0.000 0.530 512 F N 1.516 121.347 119.950 -0.199 0.000 2.811 512 F HA 0.192 4.719 4.527 0.000 0.000 0.301 512 F C 2.118 177.762 175.800 -0.260 0.000 1.151 512 F CA 0.431 58.261 58.000 -0.283 0.000 1.412 512 F CB 0.069 38.743 39.000 -0.542 0.000 1.113 512 F HN 0.627 nan 8.300 nan 0.000 0.579 513 G N 0.765 109.548 108.800 -0.028 0.000 2.225 513 G HA2 -0.271 3.690 3.960 0.001 0.000 0.264 513 G HA3 -0.271 3.690 3.960 0.001 0.000 0.264 513 G C 0.044 174.915 174.900 -0.048 0.000 1.060 513 G CA -0.245 44.842 45.100 -0.022 0.000 0.833 513 G HN 0.101 nan 8.290 nan 0.000 0.498 514 M N 1.320 120.865 119.600 -0.092 0.000 2.158 514 M HA 0.415 4.895 4.480 0.001 0.000 0.326 514 M C -0.726 175.604 176.300 0.050 0.000 1.014 514 M CA -0.539 54.716 55.300 -0.075 0.000 0.961 514 M CB 0.985 33.412 32.600 -0.288 0.000 1.327 514 M HN 0.272 nan 8.290 nan 0.000 0.393 515 D N 3.221 123.665 120.400 0.072 0.000 2.891 515 D HA 0.264 4.905 4.640 0.001 0.000 0.224 515 D C -0.878 175.483 176.300 0.100 0.000 1.321 515 D CA -0.341 53.721 54.000 0.103 0.000 0.929 515 D CB 2.203 43.065 40.800 0.104 0.000 1.551 515 D HN 0.279 nan 8.370 nan 0.000 0.574 516 L N 3.433 124.721 121.223 0.109 0.000 2.857 516 L HA 0.147 4.488 4.340 0.001 0.000 0.249 516 L C 2.083 179.028 176.870 0.125 0.000 1.172 516 L CA 0.087 54.998 54.840 0.119 0.000 0.980 516 L CB 0.044 42.168 42.059 0.108 0.000 1.299 516 L HN 0.406 nan 8.230 nan 0.000 0.535 517 Q N -0.473 119.394 119.800 0.112 0.000 2.133 517 Q HA -0.225 4.115 4.340 0.001 0.000 0.208 517 Q C 2.054 178.114 176.000 0.100 0.000 0.991 517 Q CA 1.541 57.407 55.803 0.105 0.000 0.867 517 Q CB -0.112 28.680 28.738 0.091 0.000 0.911 517 Q HN 0.397 nan 8.270 nan 0.000 0.417 518 M N -0.372 119.283 119.600 0.091 0.000 2.115 518 M HA -0.221 4.259 4.480 0.001 0.000 0.258 518 M C 2.514 178.868 176.300 0.090 0.000 1.071 518 M CA 1.367 56.714 55.300 0.078 0.000 1.100 518 M CB -1.410 31.232 32.600 0.069 0.000 1.292 518 M HN 0.391 nan 8.290 nan 0.000 0.415 519 C N 0.206 119.581 119.300 0.126 0.000 2.435 519 C HA -0.104 4.356 4.460 0.001 0.000 0.279 519 C C 2.777 177.884 174.990 0.194 0.000 1.321 519 C CA 0.425 59.537 59.018 0.157 0.000 1.752 519 C CB -1.097 26.773 27.740 0.217 0.000 1.959 519 C HN 0.489 nan 8.230 nan 0.000 0.500 520 I N 0.604 121.296 120.570 0.204 0.000 2.286 520 I HA -0.124 4.046 4.170 0.001 0.000 0.245 520 I C 2.035 178.260 176.117 0.180 0.000 1.104 520 I CA 1.880 63.331 61.300 0.252 0.000 1.397 520 I CB -0.412 37.715 38.000 0.213 0.000 1.072 520 I HN 0.245 nan 8.210 nan 0.000 0.417 521 D N 0.535 121.004 120.400 0.114 0.000 2.219 521 D HA -0.135 4.506 4.640 0.001 0.000 0.205 521 D C 2.161 178.470 176.300 0.015 0.000 0.970 521 D CA 0.677 54.717 54.000 0.067 0.000 0.851 521 D CB -0.024 40.810 40.800 0.056 0.000 0.943 521 D HN 0.211 nan 8.370 nan 0.000 0.488 522 L N 0.191 121.409 121.223 -0.009 0.000 2.141 522 L HA -0.103 4.237 4.340 0.001 0.000 0.209 522 L C 1.687 178.472 176.870 -0.140 0.000 1.094 522 L CA 1.105 55.864 54.840 -0.134 0.000 0.763 522 L CB 0.010 42.007 42.059 -0.104 0.000 0.908 522 L HN 0.122 nan 8.230 nan 0.000 0.437 523 I N -1.133 119.409 120.570 -0.046 0.000 2.556 523 I HA -0.180 3.990 4.170 0.001 0.000 0.251 523 I C 2.353 178.379 176.117 -0.152 0.000 1.105 523 I CA 0.595 61.833 61.300 -0.104 0.000 1.436 523 I CB -0.074 37.834 38.000 -0.154 0.000 1.139 523 I HN 0.205 nan 8.210 nan 0.000 0.438 524 E N 2.092 122.236 120.200 -0.092 0.000 2.051 524 E HA -0.083 4.268 4.350 0.001 0.000 0.189 524 E C 1.368 177.979 176.600 0.018 0.000 0.979 524 E CA 0.621 57.003 56.400 -0.030 0.000 0.803 524 E CB 0.196 29.973 29.700 0.129 0.000 0.761 524 E HN 0.272 nan 8.360 nan 0.000 0.451 525 K N 1.133 121.552 120.400 0.031 0.000 2.180 525 K HA 0.093 4.414 4.320 0.001 0.000 0.251 525 K C -1.977 174.645 176.600 0.037 0.000 1.014 525 K CA -0.595 55.714 56.287 0.037 0.000 0.913 525 K CB -0.876 31.647 32.500 0.038 0.000 1.008 525 K HN -0.090 nan 8.250 nan 0.000 0.490 526 P HA -0.294 nan 4.420 nan 0.000 0.218 526 P C 1.593 178.922 177.300 0.049 0.000 1.150 526 P CA 2.264 65.390 63.100 0.044 0.000 0.841 526 P CB -0.182 31.540 31.700 0.036 0.000 0.784 527 M N -2.318 117.316 119.600 0.057 0.000 2.099 527 M HA 0.066 4.546 4.480 0.001 0.000 0.262 527 M C 1.435 177.833 176.300 0.164 0.000 1.067 527 M CA 1.569 56.924 55.300 0.092 0.000 1.124 527 M CB -1.855 30.818 32.600 0.121 0.000 1.353 527 M HN -0.253 nan 8.290 nan 0.000 0.410 528 G N 1.019 109.873 108.800 0.090 0.000 2.902 528 G HA2 0.051 4.011 3.960 0.001 0.000 0.240 528 G HA3 0.051 4.011 3.960 0.001 0.000 0.240 528 G C 0.832 175.769 174.900 0.063 0.000 1.244 528 G CA -0.002 45.103 45.100 0.007 0.000 0.862 528 G HN 0.515 nan 8.290 nan 0.000 0.603 529 I N -0.089 120.470 120.570 -0.018 0.000 2.099 529 I HA -0.201 3.969 4.170 0.001 0.000 0.239 529 I C 2.692 178.959 176.117 0.250 0.000 1.066 529 I CA 1.209 62.562 61.300 0.089 0.000 1.324 529 I CB -0.463 37.604 38.000 0.111 0.000 1.037 529 I HN 0.363 nan 8.210 nan 0.000 0.401 530 L N 0.118 121.446 121.223 0.175 0.000 2.265 530 L HA -0.188 4.152 4.340 0.001 0.000 0.215 530 L C 2.696 179.662 176.870 0.160 0.000 1.117 530 L CA 1.052 56.005 54.840 0.188 0.000 0.782 530 L CB -0.551 41.547 42.059 0.065 0.000 0.914 530 L HN 0.304 nan 8.230 nan 0.000 0.441 531 S N 0.150 115.926 115.700 0.126 0.000 2.377 531 S HA -0.023 4.448 4.470 0.001 0.000 0.223 531 S C 1.940 176.625 174.600 0.142 0.000 1.030 531 S CA 0.537 58.804 58.200 0.111 0.000 0.970 531 S CB 0.006 63.255 63.200 0.081 0.000 0.830 531 S HN 0.294 nan 8.310 nan 0.000 0.473 532 I N 1.228 121.912 120.570 0.190 0.000 2.252 532 I HA -0.128 4.042 4.170 0.001 0.000 0.245 532 I C 2.355 178.670 176.117 0.331 0.000 1.102 532 I CA 0.909 62.354 61.300 0.243 0.000 1.385 532 I CB -0.269 37.872 38.000 0.235 0.000 1.064 532 I HN 0.326 nan 8.210 nan 0.000 0.414 533 L N 0.687 122.143 121.223 0.388 0.000 2.046 533 L HA -0.238 4.103 4.340 0.001 0.000 0.208 533 L C 2.481 179.354 176.870 0.005 0.000 1.077 533 L CA 1.698 56.570 54.840 0.053 0.000 0.747 533 L CB -0.234 41.916 42.059 0.153 0.000 0.896 533 L HN 0.247 nan 8.230 nan 0.000 0.432 534 E N -0.667 119.585 120.200 0.087 0.000 2.204 534 E HA -0.291 4.060 4.350 0.001 0.000 0.195 534 E C 1.897 178.547 176.600 0.083 0.000 0.990 534 E CA 1.239 57.683 56.400 0.074 0.000 0.821 534 E CB 0.030 29.785 29.700 0.091 0.000 0.750 534 E HN 0.557 nan 8.360 nan 0.000 0.477 535 E N 0.956 121.219 120.200 0.105 0.000 2.112 535 E HA -0.157 4.194 4.350 0.001 0.000 0.190 535 E C 1.395 178.108 176.600 0.188 0.000 0.979 535 E CA 0.661 57.147 56.400 0.143 0.000 0.814 535 E CB 0.250 30.022 29.700 0.120 0.000 0.762 535 E HN 0.037 nan 8.360 nan 0.000 0.460 536 E N -0.188 120.068 120.200 0.094 0.000 2.511 536 E HA -0.030 4.321 4.350 0.001 0.000 0.196 536 E C 1.071 177.719 176.600 0.080 0.000 1.066 536 E CA 0.120 56.561 56.400 0.068 0.000 0.871 536 E CB 0.074 29.746 29.700 -0.048 0.000 0.863 536 E HN 0.317 nan 8.360 nan 0.000 0.520 537 C N 0.156 119.499 119.300 0.072 0.000 2.791 537 C HA 0.229 4.689 4.460 0.001 0.000 0.270 537 C C 1.772 176.806 174.990 0.074 0.000 1.257 537 C CA -0.247 58.796 59.018 0.041 0.000 1.699 537 C CB -0.388 27.354 27.740 0.003 0.000 1.904 537 C HN 0.309 nan 8.230 nan 0.000 0.603 538 M N -0.657 119.026 119.600 0.138 0.000 2.371 538 M HA 0.333 4.813 4.480 0.001 0.000 0.246 538 M C -0.502 175.774 176.300 -0.041 0.000 1.103 538 M CA 0.374 55.707 55.300 0.055 0.000 1.010 538 M CB -0.459 32.172 32.600 0.051 0.000 1.457 538 M HN 0.141 nan 8.290 nan 0.000 0.486 539 F N 0.719 120.670 119.950 0.001 0.000 2.347 539 F HA 0.350 4.877 4.527 0.001 0.000 0.366 539 F C -1.447 174.354 175.800 0.002 0.000 1.107 539 F CA -1.981 56.022 58.000 0.005 0.000 1.058 539 F CB 0.810 39.816 39.000 0.010 0.000 1.236 539 F HN -0.020 nan 8.300 nan 0.000 0.456 540 P HA -0.217 nan 4.420 nan 0.000 0.218 540 P C 0.820 178.169 177.300 0.080 0.000 1.150 540 P CA 1.423 64.556 63.100 0.055 0.000 0.841 540 P CB 0.263 31.974 31.700 0.018 0.000 0.784 541 K N -0.893 119.580 120.400 0.122 0.000 3.135 541 K HA 0.423 4.744 4.320 0.001 0.000 0.210 541 K C -0.441 176.218 176.600 0.099 0.000 1.176 541 K CA -0.516 55.828 56.287 0.096 0.000 1.064 541 K CB 0.255 32.803 32.500 0.081 0.000 1.009 541 K HN -0.032 nan 8.250 nan 0.000 0.472 542 A N 0.961 123.843 122.820 0.103 0.000 2.327 542 A HA 0.505 4.825 4.320 0.001 0.000 0.283 542 A C -0.561 177.049 177.584 0.043 0.000 1.127 542 A CA -0.247 51.827 52.037 0.062 0.000 0.810 542 A CB 0.489 19.522 19.000 0.054 0.000 1.066 542 A HN 0.297 nan 8.150 nan 0.000 0.492 543 D N 0.269 120.695 120.400 0.044 0.000 2.533 543 D HA 0.441 5.081 4.640 0.001 0.000 0.247 543 D C -0.130 176.220 176.300 0.083 0.000 1.056 543 D CA -0.489 53.543 54.000 0.052 0.000 1.054 543 D CB 0.880 41.709 40.800 0.047 0.000 1.400 543 D HN 0.415 nan 8.370 nan 0.000 0.533 544 D N -0.143 120.312 120.400 0.092 0.000 2.123 544 D HA -0.144 4.496 4.640 0.001 0.000 0.196 544 D C 1.390 177.772 176.300 0.137 0.000 0.992 544 D CA 1.403 55.486 54.000 0.138 0.000 0.833 544 D CB 0.074 40.953 40.800 0.131 0.000 0.954 544 D HN 0.279 nan 8.370 nan 0.000 0.455 545 K N 0.189 120.635 120.400 0.075 0.000 2.057 545 K HA -0.078 4.242 4.320 0.001 0.000 0.206 545 K C 2.205 178.841 176.600 0.059 0.000 1.050 545 K CA 1.206 57.517 56.287 0.040 0.000 0.935 545 K CB -0.261 32.248 32.500 0.015 0.000 0.715 545 K HN 0.004 nan 8.250 nan 0.000 0.439 546 S N 0.665 116.407 115.700 0.070 0.000 2.383 546 S HA -0.190 4.280 4.470 0.001 0.000 0.229 546 S C 1.823 176.493 174.600 0.117 0.000 1.030 546 S CA 0.960 59.195 58.200 0.059 0.000 1.002 546 S CB -0.317 62.904 63.200 0.035 0.000 0.829 546 S HN 0.324 nan 8.310 nan 0.000 0.467 547 F N 2.283 122.219 119.950 -0.024 0.000 2.084 547 F HA 0.033 4.560 4.527 0.001 0.000 0.296 547 F C 2.596 178.390 175.800 -0.010 0.000 1.111 547 F CA 2.053 60.038 58.000 -0.024 0.000 1.224 547 F CB -1.270 37.725 39.000 -0.009 0.000 0.991 547 F HN 0.317 nan 8.300 nan 0.000 0.471 548 Q N -0.034 119.779 119.800 0.021 0.000 2.248 548 Q HA -0.235 4.106 4.340 0.001 0.000 0.208 548 Q C 1.659 177.719 176.000 0.099 0.000 0.984 548 Q CA 2.032 57.839 55.803 0.006 0.000 0.875 548 Q CB -0.211 28.591 28.738 0.105 0.000 0.910 548 Q HN 0.465 nan 8.270 nan 0.000 0.433 549 D N 0.171 120.596 120.400 0.042 0.000 2.091 549 D HA -0.117 4.524 4.640 0.001 0.000 0.199 549 D C 1.697 177.973 176.300 -0.040 0.000 0.980 549 D CA 1.033 55.049 54.000 0.026 0.000 0.831 549 D CB -0.107 40.689 40.800 -0.006 0.000 0.987 549 D HN 0.269 nan 8.370 nan 0.000 0.460 550 K N 0.583 120.931 120.400 -0.086 0.000 2.152 550 K HA -0.069 4.252 4.320 0.001 0.000 0.206 550 K C 2.359 178.797 176.600 -0.270 0.000 1.048 550 K CA 0.506 56.708 56.287 -0.142 0.000 0.933 550 K CB -0.065 32.386 32.500 -0.082 0.000 0.721 550 K HN 0.176 nan 8.250 nan 0.000 0.447 551 L N -0.514 120.488 121.223 -0.368 0.000 1.973 551 L HA -0.176 4.164 4.340 0.001 0.000 0.208 551 L C 2.316 178.829 176.870 -0.595 0.000 1.073 551 L CA 1.362 55.856 54.840 -0.577 0.000 0.746 551 L CB -0.688 40.914 42.059 -0.763 0.000 0.891 551 L HN 0.073 nan 8.230 nan 0.000 0.433 552 Y N 0.056 120.172 120.300 -0.306 0.000 2.315 552 Y HA -0.264 4.286 4.550 0.000 0.000 0.288 552 Y C 2.868 178.638 175.900 -0.217 0.000 1.154 552 Y CA 1.110 59.115 58.100 -0.158 0.000 1.229 552 Y CB -0.277 38.170 38.460 -0.022 0.000 0.980 552 Y HN 0.230 nan 8.280 nan 0.000 0.540 553 Q N -0.118 119.618 119.800 -0.107 0.000 2.119 553 Q HA -0.130 4.211 4.340 0.001 0.000 0.201 553 Q C 1.225 177.069 176.000 -0.260 0.000 0.972 553 Q CA 1.230 56.946 55.803 -0.146 0.000 0.847 553 Q CB -0.177 28.479 28.738 -0.138 0.000 0.903 553 Q HN 0.524 nan 8.270 nan 0.000 0.433 554 N N -1.034 117.367 118.700 -0.498 0.000 2.254 554 N HA -0.001 4.740 4.740 0.001 0.000 0.190 554 N C 0.826 175.813 175.510 -0.872 0.000 1.107 554 N CA 0.412 53.050 53.050 -0.686 0.000 0.869 554 N CB 0.404 38.392 38.487 -0.832 0.000 0.983 554 N HN 0.354 nan 8.380 nan 0.000 0.487 555 H N -1.329 117.495 119.070 -0.410 0.000 3.207 555 H HA 0.202 4.758 4.556 0.001 0.000 0.237 555 H C 0.224 175.446 175.328 -0.177 0.000 0.959 555 H CA -0.377 55.401 56.048 -0.449 0.000 1.091 555 H CB 0.209 29.372 29.762 -0.998 0.000 1.447 555 H HN 0.075 nan 8.280 nan 0.000 0.477 556 M N 1.747 121.364 119.600 0.028 0.000 2.260 556 M HA 0.231 4.711 4.480 0.001 0.000 0.348 556 M C 1.389 177.803 176.300 0.190 0.000 1.342 556 M CA 1.010 56.513 55.300 0.337 0.000 1.040 556 M CB 0.029 32.950 32.600 0.534 0.000 1.810 556 M HN 0.579 nan 8.290 nan 0.000 0.453 557 G N 3.915 112.830 108.800 0.192 0.000 2.216 557 G HA2 -0.317 3.643 3.960 0.001 0.000 0.269 557 G HA3 -0.317 3.643 3.960 0.001 0.000 0.269 557 G C 0.973 175.919 174.900 0.076 0.000 0.981 557 G CA 0.897 46.064 45.100 0.111 0.000 0.658 557 G HN 0.703 nan 8.290 nan 0.000 0.539 558 K N -0.429 120.017 120.400 0.078 0.000 2.354 558 K HA 0.128 4.448 4.320 0.001 0.000 0.194 558 K C 0.535 177.170 176.600 0.058 0.000 1.045 558 K CA 0.086 56.398 56.287 0.042 0.000 1.026 558 K CB 0.384 32.882 32.500 -0.003 0.000 0.866 558 K HN 0.416 nan 8.250 nan 0.000 0.530 559 N N 0.925 119.681 118.700 0.092 0.000 2.336 559 N HA 0.079 4.820 4.740 0.001 0.000 0.290 559 N C 0.366 175.919 175.510 0.072 0.000 1.058 559 N CA -0.162 52.937 53.050 0.081 0.000 0.865 559 N CB 1.799 40.342 38.487 0.094 0.000 1.581 559 N HN -0.041 nan 8.380 nan 0.000 0.480 560 R N 2.630 123.140 120.500 0.016 0.000 2.316 560 R HA 0.087 4.427 4.340 0.001 0.000 0.202 560 R C 0.759 176.964 176.300 -0.158 0.000 1.029 560 R CA 0.802 56.870 56.100 -0.053 0.000 1.018 560 R CB -0.021 30.242 30.300 -0.062 0.000 0.888 560 R HN 0.416 nan 8.270 nan 0.000 0.471 561 M N -0.020 119.551 119.600 -0.048 0.000 2.394 561 M HA 0.137 4.617 4.480 0.001 0.000 0.266 561 M C 0.194 176.557 176.300 0.105 0.000 1.098 561 M CA 0.331 55.616 55.300 -0.025 0.000 1.149 561 M CB -0.305 32.333 32.600 0.064 0.000 1.369 561 M HN 0.042 nan 8.290 nan 0.000 0.450 562 F N 1.697 121.640 119.950 -0.012 0.000 2.420 562 F HA 0.310 4.837 4.527 0.001 0.000 0.352 562 F C -0.175 175.673 175.800 0.081 0.000 1.108 562 F CA 0.306 58.323 58.000 0.029 0.000 1.162 562 F CB 0.684 39.649 39.000 -0.058 0.000 1.118 562 F HN -0.142 nan 8.300 nan 0.000 0.510 563 T N 5.218 119.635 114.554 -0.230 0.000 2.923 563 T HA 0.271 4.621 4.350 0.001 0.000 0.311 563 T C -1.168 173.513 174.700 -0.033 0.000 1.183 563 T CA -1.161 60.934 62.100 -0.008 0.000 1.020 563 T CB 1.667 70.648 68.868 0.189 0.000 1.165 563 T HN 0.570 nan 8.240 nan 0.000 0.482 564 K N 1.543 122.016 120.400 0.121 0.000 2.401 564 K HA 0.332 4.653 4.320 0.001 0.000 0.278 564 K C -2.730 173.935 176.600 0.109 0.000 1.018 564 K CA -1.338 55.063 56.287 0.190 0.000 0.981 564 K CB -0.338 32.280 32.500 0.197 0.000 0.933 564 K HN 0.124 nan 8.250 nan 0.000 0.477 565 P HA -0.082 nan 4.420 nan 0.000 0.258 565 P C 0.166 177.491 177.300 0.042 0.000 1.172 565 P CA 0.429 63.557 63.100 0.048 0.000 0.762 565 P CB 0.614 32.353 31.700 0.065 0.000 0.764 566 G N 3.438 112.249 108.800 0.018 0.000 2.468 566 G HA2 0.084 4.044 3.960 0.001 0.000 0.264 566 G HA3 0.084 4.044 3.960 0.001 0.000 0.264 566 G C -0.412 174.497 174.900 0.014 0.000 1.460 566 G CA -0.467 44.645 45.100 0.020 0.000 1.060 566 G HN 0.454 nan 8.290 nan 0.000 0.543 567 K N 0.589 120.996 120.400 0.010 0.000 2.258 567 K HA 0.318 4.638 4.320 0.001 0.000 0.284 567 K C -2.182 174.419 176.600 0.001 0.000 1.051 567 K CA -1.166 55.127 56.287 0.009 0.000 0.923 567 K CB 0.558 33.064 32.500 0.009 0.000 1.046 567 K HN 0.054 nan 8.250 nan 0.000 0.474 568 P HA -0.036 nan 4.420 nan 0.000 0.258 568 P C -0.443 176.854 177.300 -0.005 0.000 1.172 568 P CA 0.681 63.781 63.100 -0.000 0.000 0.762 568 P CB 0.703 32.408 31.700 0.009 0.000 0.764 569 T N 2.604 117.151 114.554 -0.013 0.000 3.248 569 T HA 0.287 4.638 4.350 0.001 0.000 0.271 569 T C 0.509 175.199 174.700 -0.016 0.000 1.005 569 T CA -0.353 61.737 62.100 -0.016 0.000 0.902 569 T CB -0.232 68.622 68.868 -0.024 0.000 1.102 569 T HN 0.482 nan 8.240 nan 0.000 0.548 570 R N -0.299 120.195 120.500 -0.010 0.000 2.629 570 R HA 0.585 4.925 4.340 0.001 0.000 0.266 570 R C -3.456 172.842 176.300 -0.003 0.000 1.051 570 R CA -1.770 54.325 56.100 -0.009 0.000 0.895 570 R CB -0.153 30.142 30.300 -0.008 0.000 1.246 570 R HN -0.172 nan 8.270 nan 0.000 0.459 571 P HA 0.067 nan 4.420 nan 0.000 0.261 571 P C -0.979 176.320 177.300 -0.002 0.000 1.203 571 P CA 0.134 63.231 63.100 -0.005 0.000 0.767 571 P CB 0.275 31.969 31.700 -0.010 0.000 0.785 572 N N 2.006 120.706 118.700 0.001 0.000 2.525 572 N HA -0.171 4.569 4.740 0.001 0.000 0.283 572 N C -0.600 174.920 175.510 0.017 0.000 1.259 572 N CA 0.801 53.853 53.050 0.003 0.000 0.689 572 N CB -0.591 37.892 38.487 -0.006 0.000 0.899 572 N HN 0.638 nan 8.380 nan 0.000 0.541 573 Q N -0.505 119.312 119.800 0.030 0.000 2.321 573 Q HA 0.713 5.054 4.340 0.001 0.000 0.270 573 Q C 0.553 176.604 176.000 0.084 0.000 1.032 573 Q CA -0.752 55.089 55.803 0.063 0.000 0.784 573 Q CB 1.435 30.205 28.738 0.052 0.000 1.264 573 Q HN 0.251 nan 8.270 nan 0.000 0.448 574 G N 2.831 111.714 108.800 0.139 0.000 2.712 574 G HA2 0.287 4.247 3.960 0.001 0.000 0.258 574 G HA3 0.287 4.247 3.960 0.001 0.000 0.258 574 G C -2.094 172.939 174.900 0.221 0.000 1.241 574 G CA -1.022 44.156 45.100 0.129 0.000 0.923 574 G HN 0.562 nan 8.290 nan 0.000 0.548 575 P HA 0.313 nan 4.420 nan 0.000 0.266 575 P C -0.392 176.987 177.300 0.132 0.000 1.186 575 P CA 0.576 63.795 63.100 0.198 0.000 0.767 575 P CB 0.729 32.565 31.700 0.226 0.000 0.820 576 A N 1.847 124.727 122.820 0.100 0.000 2.422 576 A HA 0.455 4.775 4.320 0.001 0.000 0.302 576 A C -0.311 177.406 177.584 0.223 0.000 1.041 576 A CA -0.379 51.657 52.037 -0.003 0.000 0.708 576 A CB 0.736 19.727 19.000 -0.014 0.000 1.257 576 A HN 0.741 nan 8.150 nan 0.000 0.414 577 H N 0.827 119.902 119.070 0.009 0.000 2.874 577 H HA 0.381 4.938 4.556 0.001 0.000 0.264 577 H C -0.747 174.749 175.328 0.280 0.000 1.007 577 H CA 0.566 56.711 56.048 0.161 0.000 1.207 577 H CB 0.751 30.618 29.762 0.175 0.000 1.487 577 H HN 0.743 nan 8.280 nan 0.000 0.505 578 F N -1.041 118.930 119.950 0.035 0.000 2.767 578 F HA 0.322 4.849 4.527 0.001 0.000 0.317 578 F C -1.993 173.691 175.800 -0.192 0.000 1.119 578 F CA -1.206 56.662 58.000 -0.221 0.000 0.971 578 F CB 1.243 39.857 39.000 -0.643 0.000 1.251 578 F HN -0.247 nan 8.300 nan 0.000 0.450 579 E N 2.001 122.145 120.200 -0.093 0.000 2.214 579 E HA 0.686 5.036 4.350 0.001 0.000 0.274 579 E C -1.913 174.714 176.600 0.046 0.000 0.977 579 E CA -1.220 55.115 56.400 -0.109 0.000 0.827 579 E CB 2.042 31.682 29.700 -0.101 0.000 1.130 579 E HN 0.691 nan 8.360 nan 0.000 0.394 580 L N 3.380 124.638 121.223 0.059 0.000 2.349 580 L HA 0.262 4.603 4.340 0.001 0.000 0.278 580 L C -1.196 175.671 176.870 -0.004 0.000 0.996 580 L CA -0.494 54.419 54.840 0.123 0.000 0.825 580 L CB 1.163 43.340 42.059 0.197 0.000 1.243 580 L HN 0.551 nan 8.230 nan 0.000 0.412 581 H N 4.164 123.207 119.070 -0.045 0.000 3.109 581 H HA 0.323 4.880 4.556 0.001 0.000 0.266 581 H C -0.240 175.105 175.328 0.029 0.000 1.334 581 H CA -0.050 56.004 56.048 0.011 0.000 1.456 581 H CB -0.309 29.476 29.762 0.037 0.000 1.587 581 H HN 0.388 nan 8.280 nan 0.000 0.500 582 H N 1.646 120.855 119.070 0.232 0.000 2.508 582 H HA -0.056 4.500 4.556 0.000 0.000 0.358 582 H C 1.109 176.498 175.328 0.102 0.000 1.212 582 H CA -0.296 55.904 56.048 0.254 0.000 1.356 582 H CB 0.754 30.730 29.762 0.357 0.000 1.525 582 H HN 0.744 nan 8.280 nan 0.000 0.578 583 Y N -0.012 120.382 120.300 0.157 0.000 2.224 583 Y HA -0.054 4.496 4.550 0.001 0.000 0.289 583 Y C 1.744 177.551 175.900 -0.154 0.000 1.146 583 Y CA 1.136 59.234 58.100 -0.004 0.000 1.182 583 Y CB -0.262 38.184 38.460 -0.023 0.000 0.983 583 Y HN 0.436 nan 8.280 nan 0.000 0.524 584 A N 0.679 122.549 122.820 -1.583 0.000 2.337 584 A HA 0.591 4.912 4.320 0.001 0.000 0.227 584 A C 1.022 178.222 177.584 -0.640 0.000 1.259 584 A CA 0.554 51.694 52.037 -1.495 0.000 0.870 584 A CB -1.070 16.370 19.000 -2.600 0.000 0.927 584 A HN 0.972 nan 8.150 nan 0.000 0.497 585 G N -0.607 108.048 108.800 -0.241 0.000 2.339 585 G HA2 0.073 4.033 3.960 0.001 0.000 0.381 585 G HA3 0.073 4.033 3.960 0.001 0.000 0.381 585 G C -1.543 173.421 174.900 0.107 0.000 1.400 585 G CA -1.036 44.087 45.100 0.039 0.000 1.002 585 G HN 0.150 nan 8.290 nan 0.000 0.633 586 N N -0.376 118.318 118.700 -0.009 0.000 2.455 586 N HA 0.521 5.262 4.740 0.001 0.000 0.280 586 N C -0.454 174.999 175.510 -0.095 0.000 1.055 586 N CA -0.200 52.768 53.050 -0.138 0.000 0.961 586 N CB 2.147 40.422 38.487 -0.353 0.000 1.121 586 N HN 0.463 nan 8.380 nan 0.000 0.476 587 V N 3.645 123.486 119.914 -0.122 0.000 2.444 587 V HA 0.369 4.489 4.120 0.001 0.000 0.294 587 V C -2.335 173.406 176.094 -0.589 0.000 1.022 587 V CA -1.834 60.262 62.300 -0.340 0.000 0.850 587 V CB 2.068 33.657 31.823 -0.391 0.000 0.992 587 V HN 0.481 nan 8.190 nan 0.000 0.426 588 P HA 0.407 nan 4.420 nan 0.000 0.287 588 P C -1.351 175.559 177.300 -0.649 0.000 1.307 588 P CA -0.106 62.716 63.100 -0.463 0.000 0.777 588 P CB 0.205 31.750 31.700 -0.258 0.000 0.883 589 Y N 0.453 120.427 120.300 -0.544 0.000 2.457 589 Y HA 0.552 5.102 4.550 0.001 0.000 0.333 589 Y C 0.986 176.528 175.900 -0.597 0.000 1.119 589 Y CA -0.537 57.231 58.100 -0.553 0.000 1.143 589 Y CB 1.714 39.783 38.460 -0.652 0.000 1.230 589 Y HN 0.152 nan 8.280 nan 0.000 0.469 590 S N 2.042 117.555 115.700 -0.312 0.000 2.478 590 S HA 0.390 4.860 4.470 0.001 0.000 0.312 590 S C 0.125 174.490 174.600 -0.390 0.000 1.094 590 S CA -0.733 57.142 58.200 -0.542 0.000 1.081 590 S CB 0.026 63.001 63.200 -0.375 0.000 1.007 590 S HN 0.571 nan 8.310 nan 0.000 0.475 591 I N 2.649 122.886 120.570 -0.555 0.000 3.806 591 I HA 0.316 4.486 4.170 0.001 0.000 0.321 591 I C 0.605 176.507 176.117 -0.358 0.000 1.315 591 I CA -0.214 60.470 61.300 -1.027 0.000 1.148 591 I CB -0.793 36.864 38.000 -0.572 0.000 1.028 591 I HN 0.326 nan 8.210 nan 0.000 0.415 592 T N 2.344 116.922 114.554 0.041 0.000 2.888 592 T HA 0.396 4.746 4.350 0.001 0.000 0.301 592 T C 1.362 176.253 174.700 0.317 0.000 1.001 592 T CA 0.754 62.993 62.100 0.231 0.000 1.147 592 T CB 0.526 69.561 68.868 0.278 0.000 0.931 592 T HN 0.773 nan 8.240 nan 0.000 0.541 593 G N 2.164 111.106 108.800 0.236 0.000 2.166 593 G HA2 -0.259 3.702 3.960 0.001 0.000 0.260 593 G HA3 -0.259 3.702 3.960 0.001 0.000 0.260 593 G C 0.857 175.897 174.900 0.233 0.000 0.986 593 G CA 0.262 45.485 45.100 0.205 0.000 0.683 593 G HN 0.775 nan 8.290 nan 0.000 0.527 594 W N 0.122 121.375 121.300 -0.078 0.000 2.381 594 W HA 0.242 4.902 4.660 0.000 0.000 0.301 594 W C 2.640 178.915 176.519 -0.407 0.000 1.205 594 W CA 1.355 58.528 57.345 -0.287 0.000 1.285 594 W CB -0.883 28.438 29.460 -0.232 0.000 1.133 594 W HN 0.321 nan 8.180 nan 0.000 0.521 595 L N -0.098 121.073 121.223 -0.086 0.000 2.127 595 L HA -0.234 4.106 4.340 0.001 0.000 0.211 595 L C 2.406 179.210 176.870 -0.111 0.000 1.089 595 L CA 1.643 56.381 54.840 -0.170 0.000 0.757 595 L CB -0.717 41.266 42.059 -0.128 0.000 0.899 595 L HN -0.082 nan 8.230 nan 0.000 0.434 596 E N 0.574 120.741 120.200 -0.055 0.000 2.051 596 E HA -0.147 4.203 4.350 0.001 0.000 0.189 596 E C 2.094 178.663 176.600 -0.052 0.000 0.979 596 E CA 1.274 57.656 56.400 -0.030 0.000 0.803 596 E CB 0.067 29.773 29.700 0.010 0.000 0.761 596 E HN 0.219 nan 8.360 nan 0.000 0.451 597 K N 0.136 120.483 120.400 -0.088 0.000 2.209 597 K HA -0.114 4.206 4.320 0.001 0.000 0.204 597 K C 1.916 178.424 176.600 -0.152 0.000 1.048 597 K CA 1.137 57.366 56.287 -0.097 0.000 0.940 597 K CB -0.122 32.311 32.500 -0.113 0.000 0.729 597 K HN 0.041 nan 8.250 nan 0.000 0.451 598 N N 1.775 120.280 118.700 -0.325 0.000 2.135 598 N HA -0.104 4.636 4.740 0.001 0.000 0.186 598 N C -0.213 175.271 175.510 -0.044 0.000 1.027 598 N CA 1.062 53.967 53.050 -0.242 0.000 0.849 598 N CB 0.185 38.454 38.487 -0.363 0.000 1.002 598 N HN 0.134 nan 8.380 nan 0.000 0.425 599 K N -0.012 120.360 120.400 -0.048 0.000 2.265 599 K HA 0.294 4.614 4.320 0.001 0.000 0.267 599 K C -1.349 175.259 176.600 0.013 0.000 0.994 599 K CA -0.665 55.622 56.287 0.000 0.000 0.860 599 K CB 1.477 33.975 32.500 -0.002 0.000 1.099 599 K HN -0.121 nan 8.250 nan 0.000 0.448 600 D N 5.081 125.502 120.400 0.035 0.000 2.359 600 D HA 0.203 4.843 4.640 0.001 0.000 0.230 600 D C -2.165 174.163 176.300 0.046 0.000 1.118 600 D CA -1.343 52.684 54.000 0.044 0.000 0.844 600 D CB 1.462 42.298 40.800 0.059 0.000 1.059 600 D HN 0.407 nan 8.370 nan 0.000 0.493 601 P HA 0.085 nan 4.420 nan 0.000 0.261 601 P C -0.163 177.171 177.300 0.057 0.000 1.183 601 P CA 0.188 63.313 63.100 0.043 0.000 0.761 601 P CB 0.520 32.242 31.700 0.036 0.000 0.785 602 I N 3.142 123.747 120.570 0.057 0.000 2.361 602 I HA 0.120 4.290 4.170 0.001 0.000 0.282 602 I C 0.771 176.928 176.117 0.066 0.000 1.075 602 I CA -0.550 60.794 61.300 0.073 0.000 1.205 602 I CB 0.365 38.409 38.000 0.073 0.000 1.406 602 I HN 0.296 nan 8.210 nan 0.000 0.481 603 N N 5.818 124.558 118.700 0.067 0.000 2.454 603 N HA -0.085 4.655 4.740 0.001 0.000 0.285 603 N C 1.067 176.609 175.510 0.052 0.000 1.233 603 N CA 0.475 53.555 53.050 0.050 0.000 1.036 603 N CB 0.376 38.889 38.487 0.044 0.000 1.423 603 N HN 0.562 nan 8.380 nan 0.000 0.495 604 E N 2.220 122.450 120.200 0.049 0.000 2.455 604 E HA -0.201 4.149 4.350 0.001 0.000 0.202 604 E C 0.862 177.481 176.600 0.032 0.000 1.045 604 E CA 0.628 57.057 56.400 0.048 0.000 0.872 604 E CB 0.246 29.971 29.700 0.043 0.000 0.792 604 E HN 0.505 nan 8.360 nan 0.000 0.542 605 N N -0.925 117.789 118.700 0.024 0.000 2.171 605 N HA -0.108 4.632 4.740 0.001 0.000 0.184 605 N C 1.429 176.940 175.510 0.001 0.000 1.021 605 N CA 1.090 54.148 53.050 0.013 0.000 0.854 605 N CB 0.274 38.770 38.487 0.014 0.000 0.994 605 N HN -0.006 nan 8.380 nan 0.000 0.426 606 V N -0.569 119.344 119.914 -0.002 0.000 2.725 606 V HA -0.007 4.113 4.120 0.001 0.000 0.247 606 V C 1.931 177.970 176.094 -0.092 0.000 1.058 606 V CA 0.696 62.973 62.300 -0.039 0.000 1.080 606 V CB -0.049 31.758 31.823 -0.026 0.000 0.713 606 V HN 0.092 nan 8.190 nan 0.000 0.465 607 V N 0.698 120.600 119.914 -0.021 0.000 2.759 607 V HA -0.142 3.978 4.120 0.001 0.000 0.256 607 V C 2.581 178.680 176.094 0.008 0.000 1.080 607 V CA 1.641 63.956 62.300 0.025 0.000 1.101 607 V CB -0.870 31.061 31.823 0.179 0.000 0.698 607 V HN 0.532 nan 8.190 nan 0.000 0.477 608 A N 0.167 122.985 122.820 -0.002 0.000 1.874 608 A HA -0.024 4.296 4.320 0.001 0.000 0.214 608 A C 2.142 179.708 177.584 -0.030 0.000 1.189 608 A CA 1.225 53.263 52.037 0.002 0.000 0.615 608 A CB -0.343 18.661 19.000 0.007 0.000 0.830 608 A HN 0.452 nan 8.150 nan 0.000 0.443 609 L N -0.336 120.852 121.223 -0.058 0.000 1.932 609 L HA -0.221 4.119 4.340 0.001 0.000 0.217 609 L C 2.569 179.369 176.870 -0.117 0.000 1.077 609 L CA 1.592 56.388 54.840 -0.073 0.000 0.765 609 L CB -1.035 40.979 42.059 -0.075 0.000 0.888 609 L HN 0.343 nan 8.230 nan 0.000 0.433 610 L N 0.005 121.086 121.223 -0.237 0.000 2.137 610 L HA -0.210 4.131 4.340 0.001 0.000 0.213 610 L C 2.692 179.450 176.870 -0.186 0.000 1.085 610 L CA 1.314 55.934 54.840 -0.367 0.000 0.760 610 L CB -1.448 40.017 42.059 -0.991 0.000 0.893 610 L HN 0.455 nan 8.230 nan 0.000 0.434 611 G N 0.033 108.783 108.800 -0.083 0.000 2.491 611 G HA2 -0.218 3.742 3.960 0.001 0.000 0.218 611 G HA3 -0.218 3.742 3.960 0.001 0.000 0.218 611 G C 0.927 175.842 174.900 0.026 0.000 1.180 611 G CA 0.669 45.799 45.100 0.051 0.000 0.774 611 G HN 0.476 nan 8.290 nan 0.000 0.562 612 A N 0.140 122.957 122.820 -0.004 0.000 3.000 612 A HA 0.639 4.959 4.320 0.001 0.000 0.315 612 A C 0.272 177.844 177.584 -0.019 0.000 1.434 612 A CA 0.069 52.103 52.037 -0.005 0.000 1.108 612 A CB 0.048 19.046 19.000 -0.003 0.000 1.171 612 A HN 0.380 nan 8.150 nan 0.000 0.524 613 S N 0.780 116.466 115.700 -0.023 0.000 2.501 613 S HA 0.392 4.862 4.470 0.001 0.000 0.301 613 S C 0.923 175.504 174.600 -0.031 0.000 1.096 613 S CA -0.706 57.473 58.200 -0.034 0.000 1.063 613 S CB 0.834 64.005 63.200 -0.049 0.000 1.042 613 S HN 0.446 nan 8.310 nan 0.000 0.494 614 K N 1.914 122.295 120.400 -0.033 0.000 2.209 614 K HA -0.051 4.269 4.320 0.001 0.000 0.204 614 K C 0.556 177.125 176.600 -0.050 0.000 1.048 614 K CA 0.728 56.995 56.287 -0.034 0.000 0.940 614 K CB -0.583 31.899 32.500 -0.030 0.000 0.729 614 K HN 0.766 nan 8.250 nan 0.000 0.451 615 E N 1.673 121.835 120.200 -0.064 0.000 2.406 615 E HA -0.011 4.340 4.350 0.001 0.000 0.258 615 E C -2.015 174.537 176.600 -0.079 0.000 1.043 615 E CA -1.381 54.969 56.400 -0.083 0.000 0.929 615 E CB 1.122 30.768 29.700 -0.091 0.000 0.969 615 E HN -0.115 nan 8.360 nan 0.000 0.462 616 P HA -0.197 nan 4.420 nan 0.000 0.214 616 P C 1.339 178.553 177.300 -0.143 0.000 1.163 616 P CA 0.942 63.984 63.100 -0.096 0.000 0.883 616 P CB 0.057 31.700 31.700 -0.095 0.000 0.788 617 L N -0.542 120.549 121.223 -0.220 0.000 1.970 617 L HA -0.189 4.151 4.340 0.001 0.000 0.212 617 L C 2.232 178.955 176.870 -0.244 0.000 1.071 617 L CA 1.790 56.403 54.840 -0.378 0.000 0.751 617 L CB -0.904 40.865 42.059 -0.483 0.000 0.889 617 L HN -0.175 nan 8.230 nan 0.000 0.432 618 V N 0.255 120.100 119.914 -0.115 0.000 2.380 618 V HA -0.357 3.764 4.120 0.001 0.000 0.251 618 V C 2.740 178.912 176.094 0.130 0.000 1.063 618 V CA 1.791 64.123 62.300 0.054 0.000 1.055 618 V CB -1.002 30.837 31.823 0.027 0.000 0.657 618 V HN 0.632 nan 8.190 nan 0.000 0.455 619 A N -0.791 122.043 122.820 0.023 0.000 1.933 619 A HA -0.265 4.055 4.320 0.001 0.000 0.218 619 A C 2.286 179.899 177.584 0.048 0.000 1.175 619 A CA 1.995 54.056 52.037 0.040 0.000 0.628 619 A CB -0.408 18.589 19.000 -0.005 0.000 0.814 619 A HN 0.640 nan 8.150 nan 0.000 0.444 620 E N -0.082 120.104 120.200 -0.024 0.000 2.028 620 E HA -0.081 4.269 4.350 0.001 0.000 0.190 620 E C 1.813 178.388 176.600 -0.042 0.000 0.984 620 E CA 0.732 57.110 56.400 -0.037 0.000 0.800 620 E CB -0.212 29.431 29.700 -0.095 0.000 0.758 620 E HN 0.585 nan 8.360 nan 0.000 0.448 621 L N 0.131 121.293 121.223 -0.102 0.000 2.351 621 L HA -0.130 4.210 4.340 0.001 0.000 0.220 621 L C 0.139 176.722 176.870 -0.479 0.000 1.127 621 L CA 0.678 55.371 54.840 -0.244 0.000 0.786 621 L CB -0.151 41.767 42.059 -0.236 0.000 0.914 621 L HN 0.102 nan 8.230 nan 0.000 0.443 622 F N 0.037 119.976 119.950 -0.019 0.000 2.676 622 F HA 0.401 4.928 4.527 0.001 0.000 0.371 622 F C 0.003 175.803 175.800 0.001 0.000 1.141 622 F CA -0.664 57.336 58.000 0.000 0.000 1.133 622 F CB 0.882 39.883 39.000 0.002 0.000 1.376 622 F HN -0.258 nan 8.300 nan 0.000 0.491 623 K N 1.397 121.856 120.400 0.098 0.000 2.471 623 K HA 0.768 5.089 4.320 0.001 0.000 0.252 623 K C 0.249 176.885 176.600 0.059 0.000 0.938 623 K CA -0.627 55.703 56.287 0.072 0.000 0.796 623 K CB 2.641 35.164 32.500 0.039 0.000 1.161 623 K HN 0.516 nan 8.250 nan 0.000 0.425 624 A N 3.646 126.503 122.820 0.060 0.000 2.028 624 A HA 0.583 4.903 4.320 0.001 0.000 0.213 624 A C -0.727 176.878 177.584 0.034 0.000 1.486 624 A CA 1.512 53.579 52.037 0.049 0.000 0.597 624 A CB -1.134 17.894 19.000 0.047 0.000 1.089 624 A HN 0.796 nan 8.150 nan 0.000 0.489 625 P HA 0.643 nan 4.420 nan 0.000 0.478 625 P C -1.154 176.157 177.300 0.018 0.000 0.540 625 P CA 1.184 64.297 63.100 0.021 0.000 1.386 625 P CB -0.025 31.686 31.700 0.020 0.000 1.161 626 E N -2.913 117.296 120.200 0.016 0.000 2.446 626 E HA 0.770 5.120 4.350 0.001 0.000 0.269 626 E C -0.008 176.600 176.600 0.013 0.000 0.977 626 E CA 0.786 57.194 56.400 0.013 0.000 0.854 626 E CB 0.191 29.898 29.700 0.011 0.000 1.545 626 E HN 1.178 nan 8.360 nan 0.000 0.448 643 Q N 0.589 120.419 119.800 0.050 0.000 2.500 643 Q HA 0.583 4.923 4.340 0.001 0.000 0.173 643 Q C 0.923 176.958 176.000 0.058 0.000 1.079 643 Q CA 0.177 56.012 55.803 0.053 0.000 0.960 643 Q CB 0.562 29.335 28.738 0.059 0.000 2.832 643 Q HN 1.093 nan 8.270 nan 0.000 0.476 644 T N -2.585 112.009 114.554 0.067 0.000 2.824 644 T HA 0.345 4.696 4.350 0.001 0.000 0.277 644 T C 1.119 175.883 174.700 0.107 0.000 0.975 644 T CA -0.539 61.605 62.100 0.073 0.000 0.966 644 T CB 0.331 69.241 68.868 0.071 0.000 1.054 644 T HN 0.446 nan 8.240 nan 0.000 0.533 645 I N 0.861 121.513 120.570 0.137 0.000 2.406 645 I HA -0.107 4.063 4.170 0.001 0.000 0.249 645 I C 2.991 179.237 176.117 0.215 0.000 1.122 645 I CA 1.199 62.604 61.300 0.174 0.000 1.431 645 I CB -0.525 37.604 38.000 0.215 0.000 1.087 645 I HN 0.875 nan 8.210 nan 0.000 0.424 646 S N 1.856 117.716 115.700 0.266 0.000 2.356 646 S HA -0.202 4.268 4.470 0.001 0.000 0.223 646 S C 2.313 177.028 174.600 0.192 0.000 1.032 646 S CA 1.032 59.389 58.200 0.261 0.000 1.005 646 S CB -0.681 62.695 63.200 0.293 0.000 0.867 646 S HN 0.384 nan 8.310 nan 0.000 0.449 647 A N 1.650 124.560 122.820 0.150 0.000 1.873 647 A HA -0.021 4.300 4.320 0.001 0.000 0.218 647 A C 2.502 180.159 177.584 0.122 0.000 1.193 647 A CA 1.992 54.098 52.037 0.115 0.000 0.629 647 A CB -1.399 17.658 19.000 0.094 0.000 0.826 647 A HN 0.500 nan 8.150 nan 0.000 0.447 648 V N -0.512 119.485 119.914 0.138 0.000 2.287 648 V HA -0.295 3.825 4.120 0.001 0.000 0.248 648 V C 2.531 178.740 176.094 0.192 0.000 1.053 648 V CA 2.662 65.049 62.300 0.145 0.000 1.027 648 V CB -0.943 30.964 31.823 0.140 0.000 0.646 648 V HN 0.855 nan 8.190 nan 0.000 0.447 649 H N 0.600 119.735 119.070 0.110 0.000 2.326 649 H HA -0.091 4.466 4.556 0.001 0.000 0.301 649 H C 2.438 177.847 175.328 0.134 0.000 1.081 649 H CA 1.971 58.090 56.048 0.119 0.000 1.334 649 H CB -0.126 29.689 29.762 0.088 0.000 1.385 649 H HN 0.283 nan 8.280 nan 0.000 0.504 650 R N -0.015 120.514 120.500 0.048 0.000 2.096 650 R HA -0.133 4.208 4.340 0.001 0.000 0.235 650 R C 2.418 178.723 176.300 0.009 0.000 1.127 650 R CA 1.588 57.699 56.100 0.018 0.000 0.968 650 R CB -0.127 30.215 30.300 0.070 0.000 0.861 650 R HN 0.556 nan 8.270 nan 0.000 0.440 651 E N 0.157 120.382 120.200 0.042 0.000 2.028 651 E HA -0.152 4.199 4.350 0.001 0.000 0.190 651 E C 1.976 178.597 176.600 0.036 0.000 0.984 651 E CA 1.196 57.623 56.400 0.044 0.000 0.800 651 E CB -0.030 29.708 29.700 0.063 0.000 0.758 651 E HN 0.102 nan 8.360 nan 0.000 0.448 652 S N 0.090 115.832 115.700 0.070 0.000 2.374 652 S HA -0.165 4.305 4.470 0.001 0.000 0.227 652 S C 1.919 176.523 174.600 0.007 0.000 1.037 652 S CA 1.055 59.328 58.200 0.121 0.000 1.024 652 S CB -0.330 63.029 63.200 0.265 0.000 0.861 652 S HN 0.317 nan 8.310 nan 0.000 0.456 653 L N 2.188 123.329 121.223 -0.136 0.000 2.093 653 L HA 0.026 4.366 4.340 0.001 0.000 0.208 653 L C 1.737 178.493 176.870 -0.190 0.000 1.085 653 L CA 1.826 56.495 54.840 -0.286 0.000 0.755 653 L CB -1.570 40.224 42.059 -0.442 0.000 0.904 653 L HN 0.384 nan 8.230 nan 0.000 0.435 654 N N -0.953 117.691 118.700 -0.094 0.000 2.142 654 N HA -0.196 4.544 4.740 0.001 0.000 0.186 654 N C 1.798 177.294 175.510 -0.023 0.000 1.023 654 N CA 0.871 53.897 53.050 -0.040 0.000 0.852 654 N CB -0.127 38.360 38.487 0.000 0.000 0.998 654 N HN 0.266 nan 8.380 nan 0.000 0.424 655 K N 1.379 121.775 120.400 -0.007 0.000 2.103 655 K HA -0.168 4.152 4.320 0.001 0.000 0.207 655 K C 2.005 178.600 176.600 -0.010 0.000 1.048 655 K CA 1.060 57.358 56.287 0.019 0.000 0.930 655 K CB -0.179 32.354 32.500 0.054 0.000 0.716 655 K HN 0.150 nan 8.250 nan 0.000 0.444 656 L N 0.814 121.991 121.223 -0.077 0.000 2.068 656 L HA -0.029 4.311 4.340 0.001 0.000 0.204 656 L C 2.443 179.157 176.870 -0.261 0.000 1.076 656 L CA 1.424 56.146 54.840 -0.196 0.000 0.753 656 L CB -0.543 41.307 42.059 -0.348 0.000 0.910 656 L HN 0.119 nan 8.230 nan 0.000 0.439 657 M N -0.096 119.367 119.600 -0.228 0.000 2.195 657 M HA -0.238 4.242 4.480 0.001 0.000 0.260 657 M C 2.249 178.568 176.300 0.031 0.000 1.066 657 M CA 1.774 56.956 55.300 -0.196 0.000 1.089 657 M CB -0.420 32.141 32.600 -0.065 0.000 1.377 657 M HN 0.324 nan 8.290 nan 0.000 0.411 658 K N -0.864 119.595 120.400 0.098 0.000 2.076 658 K HA -0.122 4.198 4.320 0.001 0.000 0.204 658 K C 1.564 178.273 176.600 0.181 0.000 1.051 658 K CA 1.419 57.839 56.287 0.222 0.000 0.949 658 K CB -0.070 32.496 32.500 0.109 0.000 0.726 658 K HN 0.265 nan 8.250 nan 0.000 0.443 659 N N 1.224 119.964 118.700 0.067 0.000 2.205 659 N HA -0.136 4.604 4.740 0.001 0.000 0.186 659 N C 1.629 177.177 175.510 0.064 0.000 1.015 659 N CA 0.951 54.053 53.050 0.088 0.000 0.862 659 N CB -0.112 38.419 38.487 0.073 0.000 0.986 659 N HN 0.208 nan 8.380 nan 0.000 0.429 660 L N -1.151 120.010 121.223 -0.104 0.000 2.217 660 L HA -0.098 4.243 4.340 0.001 0.000 0.211 660 L C 1.342 178.196 176.870 -0.026 0.000 1.107 660 L CA 0.744 55.443 54.840 -0.234 0.000 0.783 660 L CB -0.313 41.278 42.059 -0.781 0.000 0.919 660 L HN 0.219 nan 8.230 nan 0.000 0.442 661 Y N -0.797 119.604 120.300 0.167 0.000 2.439 661 Y HA -0.123 4.427 4.550 0.001 0.000 0.292 661 Y C 2.652 178.642 175.900 0.149 0.000 1.130 661 Y CA 0.849 59.100 58.100 0.252 0.000 1.254 661 Y CB -0.034 38.545 38.460 0.199 0.000 1.000 661 Y HN 0.072 nan 8.280 nan 0.000 0.554 662 S N -0.909 114.932 115.700 0.236 0.000 2.562 662 S HA -0.031 4.439 4.470 0.001 0.000 0.221 662 S C 1.033 175.692 174.600 0.099 0.000 0.975 662 S CA 0.785 59.080 58.200 0.158 0.000 0.918 662 S CB -0.431 62.859 63.200 0.151 0.000 0.772 662 S HN 0.523 nan 8.310 nan 0.000 0.531 663 T N -0.914 113.694 114.554 0.091 0.000 2.919 663 T HA 0.404 4.754 4.350 0.001 0.000 0.282 663 T C -0.762 173.984 174.700 0.077 0.000 1.020 663 T CA -0.731 61.391 62.100 0.038 0.000 0.994 663 T CB 1.206 70.085 68.868 0.018 0.000 1.180 663 T HN 0.087 nan 8.240 nan 0.000 0.566 664 H N 2.340 121.356 119.070 -0.090 0.000 2.623 664 H HA 0.487 5.043 4.556 0.001 0.000 0.299 664 H C -2.748 172.388 175.328 -0.319 0.000 1.052 664 H CA -2.665 53.288 56.048 -0.158 0.000 1.231 664 H CB 1.055 30.727 29.762 -0.149 0.000 1.389 664 H HN 0.414 nan 8.280 nan 0.000 0.469 665 P HA 0.150 nan 4.420 nan 0.000 0.275 665 P C -0.687 176.309 177.300 -0.506 0.000 1.227 665 P CA -0.037 62.831 63.100 -0.386 0.000 0.781 665 P CB 1.313 32.690 31.700 -0.539 0.000 0.906 666 H N 2.537 121.425 119.070 -0.303 0.000 2.800 666 H HA 0.319 4.875 4.556 0.001 0.000 0.322 666 H C -0.506 174.731 175.328 -0.151 0.000 0.979 666 H CA -0.293 55.697 56.048 -0.096 0.000 1.277 666 H CB 0.482 30.198 29.762 -0.077 0.000 1.484 666 H HN 0.305 nan 8.280 nan 0.000 0.512 667 F N 1.841 121.965 119.950 0.290 0.000 2.404 667 F HA 0.325 4.853 4.527 0.001 0.000 0.339 667 F C 0.540 176.489 175.800 0.249 0.000 1.105 667 F CA -0.745 57.409 58.000 0.256 0.000 1.087 667 F CB 1.432 40.605 39.000 0.289 0.000 1.143 667 F HN 0.104 nan 8.300 nan 0.000 0.491 668 V N 4.552 124.664 119.914 0.330 0.000 2.448 668 V HA 0.496 4.616 4.120 0.001 0.000 0.295 668 V C -0.414 175.786 176.094 0.177 0.000 1.025 668 V CA -0.990 61.462 62.300 0.253 0.000 0.859 668 V CB 1.686 33.618 31.823 0.182 0.000 0.988 668 V HN 0.547 nan 8.190 nan 0.000 0.431 669 R N 3.054 123.642 120.500 0.146 0.000 2.239 669 R HA 0.439 4.780 4.340 0.001 0.000 0.332 669 R C -0.713 175.613 176.300 0.044 0.000 0.988 669 R CA -0.333 55.786 56.100 0.032 0.000 0.859 669 R CB 0.952 31.227 30.300 -0.042 0.000 1.148 669 R HN 0.611 nan 8.270 nan 0.000 0.482 670 C N 3.507 122.822 119.300 0.026 0.000 2.539 670 C HA 0.548 5.009 4.460 0.001 0.000 0.392 670 C C 0.880 175.863 174.990 -0.013 0.000 1.269 670 C CA -0.283 58.740 59.018 0.009 0.000 2.250 670 C CB 0.099 27.844 27.740 0.009 0.000 2.584 670 C HN 0.672 nan 8.230 nan 0.000 0.589 671 I N 2.881 123.428 120.570 -0.038 0.000 2.534 671 I HA 0.339 4.510 4.170 0.001 0.000 0.288 671 I C -0.525 175.551 176.117 -0.068 0.000 1.077 671 I CA -0.330 60.941 61.300 -0.048 0.000 1.051 671 I CB 1.409 39.373 38.000 -0.061 0.000 1.234 671 I HN 0.588 nan 8.210 nan 0.000 0.425 672 I N 8.693 129.248 120.570 -0.024 0.000 2.379 672 I HA 0.186 4.356 4.170 0.001 0.000 0.290 672 I C -1.521 174.593 176.117 -0.005 0.000 1.063 672 I CA -1.757 59.556 61.300 0.021 0.000 1.351 672 I CB 1.583 39.635 38.000 0.086 0.000 1.410 672 I HN 0.397 nan 8.210 nan 0.000 0.505 673 P HA -0.109 nan 4.420 nan 0.000 0.215 673 P C -0.938 176.341 177.300 -0.036 0.000 1.157 673 P CA 1.263 64.283 63.100 -0.133 0.000 0.868 673 P CB 0.125 31.716 31.700 -0.183 0.000 0.788 674 N N -3.545 115.176 118.700 0.034 0.000 3.344 674 N HA 0.179 4.920 4.740 0.001 0.000 0.296 674 N C -0.197 175.308 175.510 -0.010 0.000 1.571 674 N CA -0.625 52.425 53.050 -0.001 0.000 0.844 674 N CB 0.002 38.482 38.487 -0.012 0.000 1.718 674 N HN -0.351 nan 8.380 nan 0.000 0.589 675 E N -0.433 119.744 120.200 -0.038 0.000 2.501 675 E HA 0.276 4.627 4.350 0.001 0.000 0.201 675 E C 0.260 176.806 176.600 -0.090 0.000 1.016 675 E CA 0.125 56.498 56.400 -0.045 0.000 0.920 675 E CB 0.148 29.829 29.700 -0.032 0.000 1.023 675 E HN 0.535 nan 8.360 nan 0.000 0.474 676 L N 0.091 121.231 121.223 -0.138 0.000 2.769 676 L HA 0.232 4.572 4.340 0.001 0.000 0.240 676 L C 0.291 176.977 176.870 -0.306 0.000 1.163 676 L CA -0.137 54.604 54.840 -0.166 0.000 0.962 676 L CB -0.083 41.908 42.059 -0.113 0.000 1.258 676 L HN -0.126 nan 8.230 nan 0.000 0.513 677 K N 1.126 121.181 120.400 -0.574 0.000 3.012 677 K HA -0.251 4.069 4.320 0.001 0.000 0.259 677 K C 0.256 176.344 176.600 -0.853 0.000 0.989 677 K CA 0.679 56.212 56.287 -1.257 0.000 0.728 677 K CB -1.148 30.999 32.500 -0.588 0.000 1.260 677 K HN 0.449 nan 8.250 nan 0.000 0.480 678 Q N 0.591 120.084 119.800 -0.511 0.000 2.293 678 Q HA 0.301 4.642 4.340 0.001 0.000 0.261 678 Q C -2.603 173.412 176.000 0.025 0.000 0.960 678 Q CA -2.490 53.213 55.803 -0.166 0.000 0.882 678 Q CB 1.655 30.340 28.738 -0.087 0.000 1.275 678 Q HN -0.129 nan 8.270 nan 0.000 0.445 679 P HA 0.109 nan 4.420 nan 0.000 0.271 679 P C 0.222 177.595 177.300 0.122 0.000 1.216 679 P CA 0.658 63.855 63.100 0.161 0.000 0.771 679 P CB 0.890 32.648 31.700 0.098 0.000 0.864 680 G N 1.699 110.577 108.800 0.130 0.000 2.212 680 G HA2 -0.279 3.681 3.960 0.001 0.000 0.266 680 G HA3 -0.279 3.681 3.960 0.001 0.000 0.266 680 G C -0.110 174.956 174.900 0.278 0.000 0.978 680 G CA 0.079 45.228 45.100 0.081 0.000 0.632 680 G HN 0.591 nan 8.290 nan 0.000 0.537 681 L N 1.650 123.033 121.223 0.266 0.000 2.290 681 L HA 0.692 5.033 4.340 0.001 0.000 0.284 681 L C 0.116 177.084 176.870 0.163 0.000 1.078 681 L CA -0.674 54.268 54.840 0.170 0.000 0.815 681 L CB 1.665 43.773 42.059 0.082 0.000 1.162 681 L HN 0.067 nan 8.230 nan 0.000 0.435 682 V N 4.903 124.885 119.914 0.115 0.000 2.417 682 V HA 0.313 4.433 4.120 0.001 0.000 0.291 682 V C -0.441 175.663 176.094 0.018 0.000 1.024 682 V CA -0.717 61.604 62.300 0.035 0.000 0.861 682 V CB 1.511 33.360 31.823 0.044 0.000 0.985 682 V HN 0.735 nan 8.190 nan 0.000 0.436 683 D N 4.271 124.666 120.400 -0.010 0.000 2.456 683 D HA 0.365 5.006 4.640 0.001 0.000 0.219 683 D C 1.029 177.322 176.300 -0.013 0.000 1.126 683 D CA 0.108 54.103 54.000 -0.009 0.000 0.890 683 D CB 1.802 42.591 40.800 -0.017 0.000 1.025 683 D HN 0.574 nan 8.370 nan 0.000 0.511 684 A N 4.097 126.916 122.820 -0.003 0.000 1.927 684 A HA -0.235 4.085 4.320 0.001 0.000 0.220 684 A C 1.935 179.510 177.584 -0.014 0.000 1.185 684 A CA 1.625 53.660 52.037 -0.003 0.000 0.639 684 A CB -0.397 18.606 19.000 0.004 0.000 0.820 684 A HN 0.692 nan 8.150 nan 0.000 0.451 685 E N -1.028 119.157 120.200 -0.024 0.000 2.106 685 E HA -0.163 4.188 4.350 0.001 0.000 0.192 685 E C 1.870 178.474 176.600 0.005 0.000 0.984 685 E CA 1.120 57.506 56.400 -0.023 0.000 0.806 685 E CB -0.125 29.553 29.700 -0.037 0.000 0.750 685 E HN 0.483 nan 8.360 nan 0.000 0.458 686 L N 0.139 121.357 121.223 -0.009 0.000 2.072 686 L HA -0.102 4.238 4.340 0.001 0.000 0.205 686 L C 2.114 179.003 176.870 0.032 0.000 1.079 686 L CA 1.243 56.080 54.840 -0.005 0.000 0.752 686 L CB -0.400 41.643 42.059 -0.027 0.000 0.906 686 L HN -0.006 nan 8.230 nan 0.000 0.436 687 V N -0.384 119.532 119.914 0.004 0.000 2.261 687 V HA -0.309 3.811 4.120 0.001 0.000 0.246 687 V C 2.614 178.721 176.094 0.022 0.000 1.047 687 V CA 2.008 64.304 62.300 -0.006 0.000 1.015 687 V CB -0.672 31.128 31.823 -0.038 0.000 0.642 687 V HN 0.414 nan 8.190 nan 0.000 0.446 688 L N -0.321 120.920 121.223 0.031 0.000 1.997 688 L HA -0.303 4.038 4.340 0.001 0.000 0.216 688 L C 2.738 179.631 176.870 0.038 0.000 1.074 688 L CA 2.330 57.194 54.840 0.041 0.000 0.763 688 L CB -0.830 41.252 42.059 0.038 0.000 0.890 688 L HN 0.522 nan 8.230 nan 0.000 0.434 689 H N 0.021 119.071 119.070 -0.034 0.000 2.353 689 H HA -0.219 4.337 4.556 0.000 0.000 0.298 689 H C 2.112 177.402 175.328 -0.063 0.000 1.103 689 H CA 2.183 58.201 56.048 -0.050 0.000 1.293 689 H CB 0.130 29.855 29.762 -0.061 0.000 1.372 689 H HN 0.521 nan 8.280 nan 0.000 0.501 690 Q N -0.015 119.809 119.800 0.040 0.000 2.083 690 Q HA -0.048 4.292 4.340 0.001 0.000 0.198 690 Q C 2.887 178.849 176.000 -0.064 0.000 0.969 690 Q CA 0.961 56.752 55.803 -0.019 0.000 0.838 690 Q CB 0.184 28.936 28.738 0.023 0.000 0.900 690 Q HN 0.452 nan 8.270 nan 0.000 0.436 691 L N 0.812 122.016 121.223 -0.031 0.000 2.083 691 L HA -0.224 4.116 4.340 0.001 0.000 0.209 691 L C 2.760 179.614 176.870 -0.026 0.000 1.083 691 L CA 0.980 55.813 54.840 -0.011 0.000 0.752 691 L CB -0.531 41.541 42.059 0.022 0.000 0.899 691 L HN 0.337 nan 8.230 nan 0.000 0.433 692 Q N 0.788 120.549 119.800 -0.066 0.000 1.965 692 Q HA -0.226 4.114 4.340 0.001 0.000 0.200 692 Q C 2.546 178.490 176.000 -0.094 0.000 0.981 692 Q CA 2.584 58.341 55.803 -0.077 0.000 0.834 692 Q CB -0.482 28.186 28.738 -0.116 0.000 0.900 692 Q HN 0.702 nan 8.270 nan 0.000 0.426 693 C N 0.168 119.356 119.300 -0.186 0.000 2.419 693 C HA 0.046 4.506 4.460 0.001 0.000 0.283 693 C C 2.190 177.194 174.990 0.024 0.000 1.373 693 C CA 0.650 59.614 59.018 -0.090 0.000 1.781 693 C CB -1.473 26.116 27.740 -0.252 0.000 1.886 693 C HN 0.393 nan 8.230 nan 0.000 0.520 694 N N 1.320 119.986 118.700 -0.056 0.000 2.216 694 N HA 0.199 4.939 4.740 0.001 0.000 0.183 694 N C 1.650 177.082 175.510 -0.130 0.000 1.017 694 N CA 2.069 55.033 53.050 -0.144 0.000 0.861 694 N CB -0.450 37.928 38.487 -0.181 0.000 0.986 694 N HN 0.833 nan 8.380 nan 0.000 0.428 695 G N -1.022 107.777 108.800 -0.003 0.000 2.142 695 G HA2 -0.240 3.720 3.960 0.001 0.000 0.225 695 G HA3 -0.240 3.720 3.960 0.001 0.000 0.225 695 G C 0.903 175.923 174.900 0.200 0.000 1.015 695 G CA 0.383 45.561 45.100 0.129 0.000 0.716 695 G HN 0.160 nan 8.290 nan 0.000 0.508 696 V N 0.273 120.262 119.914 0.125 0.000 2.219 696 V HA -0.259 3.862 4.120 0.001 0.000 0.248 696 V C 2.778 179.074 176.094 0.337 0.000 1.053 696 V CA 2.517 64.988 62.300 0.284 0.000 1.009 696 V CB -0.797 31.162 31.823 0.225 0.000 0.636 696 V HN 0.511 nan 8.190 nan 0.000 0.445 697 L N 0.149 121.495 121.223 0.205 0.000 2.021 697 L HA -0.254 4.087 4.340 0.001 0.000 0.215 697 L C 2.422 179.419 176.870 0.213 0.000 1.074 697 L CA 2.200 57.143 54.840 0.173 0.000 0.760 697 L CB -0.758 41.371 42.059 0.115 0.000 0.889 697 L HN 0.351 nan 8.230 nan 0.000 0.433 698 E N -0.475 119.856 120.200 0.219 0.000 2.058 698 E HA -0.138 4.213 4.350 0.001 0.000 0.194 698 E C 2.154 178.940 176.600 0.309 0.000 0.997 698 E CA 1.298 57.827 56.400 0.216 0.000 0.801 698 E CB -1.018 28.663 29.700 -0.033 0.000 0.746 698 E HN 0.589 nan 8.360 nan 0.000 0.450 699 G N 0.552 109.645 108.800 0.488 0.000 2.440 699 G HA2 -0.260 3.700 3.960 0.001 0.000 0.218 699 G HA3 -0.260 3.700 3.960 0.001 0.000 0.218 699 G C 1.616 176.684 174.900 0.280 0.000 1.154 699 G CA 0.949 46.334 45.100 0.475 0.000 0.767 699 G HN 0.232 nan 8.290 nan 0.000 0.552 700 I N -0.160 120.556 120.570 0.243 0.000 2.546 700 I HA -0.059 4.111 4.170 0.001 0.000 0.255 700 I C 2.978 179.151 176.117 0.094 0.000 1.163 700 I CA 0.539 61.891 61.300 0.088 0.000 1.457 700 I CB -0.088 37.957 38.000 0.075 0.000 1.092 700 I HN 0.080 nan 8.210 nan 0.000 0.434 701 R N 0.287 120.879 120.500 0.154 0.000 2.062 701 R HA -0.112 4.228 4.340 0.001 0.000 0.229 701 R C 2.350 178.779 176.300 0.215 0.000 1.128 701 R CA 1.292 57.516 56.100 0.206 0.000 0.960 701 R CB -0.458 30.053 30.300 0.351 0.000 0.855 701 R HN 0.224 nan 8.270 nan 0.000 0.432 702 I N 0.631 121.265 120.570 0.106 0.000 2.454 702 I HA -0.269 3.901 4.170 0.001 0.000 0.254 702 I C 2.266 178.429 176.117 0.075 0.000 1.156 702 I CA 1.098 62.450 61.300 0.085 0.000 1.433 702 I CB -0.255 37.598 38.000 -0.244 0.000 1.082 702 I HN 0.193 nan 8.210 nan 0.000 0.432 703 C N 0.901 120.220 119.300 0.032 0.000 2.457 703 C HA -0.018 4.442 4.460 0.001 0.000 0.278 703 C C 2.776 177.773 174.990 0.012 0.000 1.309 703 C CA 0.702 59.726 59.018 0.011 0.000 1.735 703 C CB -1.191 26.536 27.740 -0.023 0.000 1.992 703 C HN 0.492 nan 8.230 nan 0.000 0.493 704 R N -0.261 120.256 120.500 0.028 0.000 2.312 704 R HA 0.102 4.442 4.340 0.001 0.000 0.205 704 R C 2.035 178.335 176.300 -0.000 0.000 0.904 704 R CA 0.273 56.377 56.100 0.006 0.000 1.052 704 R CB -0.019 30.288 30.300 0.012 0.000 1.014 704 R HN 0.492 nan 8.270 nan 0.000 0.503 705 K N 0.038 120.479 120.400 0.068 0.000 2.308 705 K HA 0.095 4.415 4.320 0.001 0.000 0.197 705 K C 1.060 177.725 176.600 0.107 0.000 1.049 705 K CA 0.444 56.798 56.287 0.112 0.000 0.991 705 K CB 0.633 33.283 32.500 0.250 0.000 0.836 705 K HN 0.137 nan 8.250 nan 0.000 0.500 706 G N -0.334 108.475 108.800 0.016 0.000 2.849 706 G HA2 0.370 4.330 3.960 0.001 0.000 0.174 706 G HA3 0.370 4.330 3.960 0.001 0.000 0.174 706 G C -0.885 173.565 174.900 -0.751 0.000 1.370 706 G CA -0.609 44.266 45.100 -0.374 0.000 1.040 706 G HN 0.071 nan 8.290 nan 0.000 0.582 707 F N 1.160 120.977 119.950 -0.221 0.000 2.564 707 F HA 0.341 4.868 4.527 0.001 0.000 0.361 707 F C -1.410 174.484 175.800 0.156 0.000 1.161 707 F CA -1.768 56.204 58.000 -0.047 0.000 1.198 707 F CB 2.205 41.109 39.000 -0.159 0.000 1.424 707 F HN 0.197 nan 8.300 nan 0.000 0.517 708 P HA -0.115 nan 4.420 nan 0.000 0.216 708 P C 0.293 177.709 177.300 0.193 0.000 1.150 708 P CA 0.973 64.183 63.100 0.183 0.000 0.837 708 P CB 0.330 32.087 31.700 0.095 0.000 0.786 709 S N 0.700 116.537 115.700 0.228 0.000 2.537 709 S HA 0.397 4.867 4.470 0.001 0.000 0.275 709 S C 0.417 175.119 174.600 0.170 0.000 1.272 709 S CA -0.482 57.846 58.200 0.214 0.000 1.050 709 S CB 0.502 63.867 63.200 0.275 0.000 0.961 709 S HN 0.220 nan 8.310 nan 0.000 0.496 710 R N 1.343 121.843 120.500 -0.001 0.000 2.604 710 R HA 0.728 5.069 4.340 0.001 0.000 0.270 710 R C -2.196 173.982 176.300 -0.204 0.000 1.052 710 R CA -1.006 54.877 56.100 -0.362 0.000 0.902 710 R CB 0.750 30.557 30.300 -0.821 0.000 1.233 710 R HN 0.366 nan 8.270 nan 0.000 0.455 711 L N 2.618 123.693 121.223 -0.248 0.000 2.436 711 L HA 0.483 4.824 4.340 0.001 0.000 0.268 711 L C -0.496 176.237 176.870 -0.229 0.000 0.974 711 L CA -0.979 53.814 54.840 -0.078 0.000 0.826 711 L CB 2.185 44.379 42.059 0.225 0.000 1.291 711 L HN 0.784 nan 8.230 nan 0.000 0.406 712 I N 2.862 123.340 120.570 -0.153 0.000 2.648 712 I HA -0.031 4.140 4.170 0.001 0.000 0.284 712 I C 0.475 176.561 176.117 -0.050 0.000 1.153 712 I CA 0.165 61.361 61.300 -0.173 0.000 1.426 712 I CB 0.737 38.694 38.000 -0.072 0.000 1.381 712 I HN 0.650 nan 8.210 nan 0.000 0.571 713 Y N 4.330 124.650 120.300 0.034 0.000 2.241 713 Y HA -0.286 4.264 4.550 0.001 0.000 0.286 713 Y C 2.551 178.529 175.900 0.130 0.000 1.166 713 Y CA 1.613 59.767 58.100 0.090 0.000 1.203 713 Y CB -0.958 37.524 38.460 0.038 0.000 0.977 713 Y HN 0.683 nan 8.280 nan 0.000 0.529 714 S N -0.056 115.776 115.700 0.219 0.000 2.359 714 S HA -0.308 4.163 4.470 0.001 0.000 0.222 714 S C 1.952 176.624 174.600 0.121 0.000 1.038 714 S CA 1.613 59.895 58.200 0.138 0.000 1.051 714 S CB -0.589 62.660 63.200 0.081 0.000 0.944 714 S HN 0.538 nan 8.310 nan 0.000 0.433 715 E N 1.177 121.438 120.200 0.102 0.000 2.110 715 E HA -0.140 4.210 4.350 0.001 0.000 0.193 715 E C 1.714 178.381 176.600 0.112 0.000 0.988 715 E CA 1.023 57.464 56.400 0.068 0.000 0.804 715 E CB -0.528 29.201 29.700 0.048 0.000 0.745 715 E HN 0.500 nan 8.360 nan 0.000 0.458 716 F N 1.294 121.312 119.950 0.113 0.000 2.134 716 F HA -0.129 4.398 4.527 0.001 0.000 0.299 716 F C 2.204 178.118 175.800 0.191 0.000 1.097 716 F CA 2.119 60.254 58.000 0.224 0.000 1.264 716 F CB -0.236 38.924 39.000 0.266 0.000 1.001 716 F HN 0.011 nan 8.300 nan 0.000 0.479 717 K N 0.548 121.088 120.400 0.233 0.000 1.987 717 K HA -0.330 3.990 4.320 0.001 0.000 0.216 717 K C 2.213 178.774 176.600 -0.065 0.000 1.051 717 K CA 2.218 58.566 56.287 0.101 0.000 0.942 717 K CB -0.646 31.934 32.500 0.135 0.000 0.722 717 K HN 0.590 nan 8.250 nan 0.000 0.444 718 Q N -0.102 119.660 119.800 -0.065 0.000 2.291 718 Q HA -0.205 4.135 4.340 0.001 0.000 0.206 718 Q C 1.971 177.833 176.000 -0.229 0.000 0.976 718 Q CA 1.475 57.209 55.803 -0.115 0.000 0.875 718 Q CB -0.085 28.605 28.738 -0.080 0.000 0.927 718 Q HN 0.209 nan 8.270 nan 0.000 0.450 719 R N -0.567 119.712 120.500 -0.369 0.000 2.140 719 R HA -0.000 4.340 4.340 0.001 0.000 0.213 719 R C 0.390 176.123 176.300 -0.946 0.000 1.059 719 R CA 1.133 56.824 56.100 -0.683 0.000 1.000 719 R CB 0.182 29.947 30.300 -0.891 0.000 0.910 719 R HN 0.393 nan 8.270 nan 0.000 0.455 720 Y N -0.772 119.277 120.300 -0.417 0.000 2.557 720 Y HA 0.397 4.947 4.550 0.001 0.000 0.247 720 Y C 1.664 177.400 175.900 -0.273 0.000 1.164 720 Y CA -0.265 57.582 58.100 -0.422 0.000 1.218 720 Y CB 0.539 38.562 38.460 -0.728 0.000 1.210 720 Y HN -0.041 nan 8.280 nan 0.000 0.529 721 S N 0.601 116.232 115.700 -0.115 0.000 2.387 721 S HA -0.193 4.277 4.470 0.001 0.000 0.230 721 S C 1.983 176.567 174.600 -0.026 0.000 1.035 721 S CA 1.353 59.530 58.200 -0.039 0.000 1.014 721 S CB -0.355 62.825 63.200 -0.034 0.000 0.836 721 S HN 0.479 nan 8.310 nan 0.000 0.466 722 I N 0.887 121.426 120.570 -0.052 0.000 2.657 722 I HA -0.160 4.010 4.170 0.001 0.000 0.261 722 I C 1.410 177.523 176.117 -0.007 0.000 1.212 722 I CA 0.644 61.922 61.300 -0.035 0.000 1.453 722 I CB -0.140 37.825 38.000 -0.059 0.000 1.092 722 I HN 0.228 nan 8.210 nan 0.000 0.452 723 L N 0.218 121.448 121.223 0.012 0.000 2.599 723 L HA 0.181 4.522 4.340 0.001 0.000 0.230 723 L C 0.877 177.761 176.870 0.024 0.000 1.141 723 L CA 0.512 55.368 54.840 0.027 0.000 0.877 723 L CB -0.285 41.803 42.059 0.048 0.000 1.009 723 L HN 0.179 nan 8.230 nan 0.000 0.447 724 A N -1.662 121.171 122.820 0.022 0.000 3.208 724 A HA 0.475 4.796 4.320 0.001 0.000 0.252 724 A C -1.974 175.622 177.584 0.020 0.000 1.225 724 A CA -0.383 51.669 52.037 0.025 0.000 0.980 724 A CB -0.152 18.872 19.000 0.039 0.000 1.414 724 A HN 0.048 nan 8.150 nan 0.000 0.721 725 P HA -0.129 nan 4.420 nan 0.000 0.222 725 P C 1.377 178.684 177.300 0.012 0.000 1.147 725 P CA 1.009 64.114 63.100 0.008 0.000 0.790 725 P CB 0.095 31.797 31.700 0.004 0.000 0.780 726 N N 0.258 118.966 118.700 0.014 0.000 2.247 726 N HA -0.277 4.464 4.740 0.001 0.000 0.187 726 N C 1.192 176.710 175.510 0.014 0.000 0.885 726 N CA 2.138 55.197 53.050 0.015 0.000 0.910 726 N CB -1.333 37.164 38.487 0.018 0.000 1.055 726 N HN 0.188 nan 8.380 nan 0.000 0.813 727 A N 0.557 123.387 122.820 0.016 0.000 2.790 727 A HA 0.520 4.840 4.320 0.001 0.000 0.225 727 A C 0.654 178.245 177.584 0.012 0.000 1.904 727 A CA 0.151 52.197 52.037 0.015 0.000 0.878 727 A CB 0.030 19.041 19.000 0.018 0.000 1.774 727 A HN 0.350 nan 8.150 nan 0.000 0.714 728 I N -1.076 119.500 120.570 0.011 0.000 6.018 728 I HA -0.141 4.029 4.170 0.001 0.000 0.126 728 I C -2.118 174.004 176.117 0.007 0.000 1.820 728 I CA -0.734 60.571 61.300 0.008 0.000 2.037 728 I CB -2.661 35.343 38.000 0.006 0.000 3.425 728 I HN 0.574 nan 8.210 nan 0.000 0.169 733 V N 2.427 122.345 119.914 0.007 0.000 2.513 733 V HA 0.599 4.720 4.120 0.001 0.000 0.299 733 V C -0.021 176.075 176.094 0.004 0.000 1.035 733 V CA -0.128 62.174 62.300 0.004 0.000 0.889 733 V CB 1.399 33.224 31.823 0.004 0.000 0.988 733 V HN 1.660 nan 8.190 nan 0.000 0.440 734 D N 4.450 124.847 120.400 -0.005 0.000 2.474 734 D HA 0.163 4.803 4.640 0.001 0.000 0.232 734 D C 1.249 177.541 176.300 -0.013 0.000 1.177 734 D CA 0.644 54.638 54.000 -0.010 0.000 0.876 734 D CB 0.959 41.743 40.800 -0.027 0.000 1.208 734 D HN 0.626 nan 8.370 nan 0.000 0.464 735 G N 1.095 109.898 108.800 0.004 0.000 2.402 735 G HA2 -0.330 3.630 3.960 0.001 0.000 0.216 735 G HA3 -0.330 3.630 3.960 0.001 0.000 0.216 735 G C 1.342 176.186 174.900 -0.094 0.000 1.162 735 G CA 0.807 45.928 45.100 0.037 0.000 0.777 735 G HN 0.616 nan 8.290 nan 0.000 0.539 736 K N 0.343 120.537 120.400 -0.344 0.000 2.026 736 K HA -0.140 4.180 4.320 0.001 0.000 0.208 736 K C 2.899 179.252 176.600 -0.413 0.000 1.048 736 K CA 2.028 57.814 56.287 -0.835 0.000 0.929 736 K CB -0.441 31.560 32.500 -0.832 0.000 0.713 736 K HN 0.427 nan 8.250 nan 0.000 0.439 737 T N -1.124 113.301 114.554 -0.215 0.000 2.684 737 T HA -0.149 4.202 4.350 0.001 0.000 0.267 737 T C 1.985 176.653 174.700 -0.054 0.000 1.036 737 T CA 1.710 63.744 62.100 -0.111 0.000 1.148 737 T CB -0.854 67.975 68.868 -0.065 0.000 0.863 737 T HN 0.021 nan 8.240 nan 0.000 0.436 738 V N 1.803 121.706 119.914 -0.019 0.000 2.343 738 V HA -0.174 3.946 4.120 0.001 0.000 0.247 738 V C 3.098 179.261 176.094 0.114 0.000 1.051 738 V CA 2.129 64.458 62.300 0.049 0.000 1.036 738 V CB -1.097 30.769 31.823 0.071 0.000 0.654 738 V HN 0.536 nan 8.190 nan 0.000 0.451 739 S N -0.585 115.188 115.700 0.122 0.000 2.399 739 S HA -0.216 4.254 4.470 0.001 0.000 0.231 739 S C 2.042 176.668 174.600 0.043 0.000 1.022 739 S CA 1.577 59.906 58.200 0.215 0.000 0.983 739 S CB -0.276 63.008 63.200 0.140 0.000 0.803 739 S HN 0.658 nan 8.310 nan 0.000 0.480 740 E N 1.853 122.032 120.200 -0.034 0.000 2.072 740 E HA -0.051 4.299 4.350 0.001 0.000 0.191 740 E C 1.811 178.427 176.600 0.026 0.000 0.985 740 E CA 1.394 57.782 56.400 -0.021 0.000 0.801 740 E CB -0.196 29.478 29.700 -0.043 0.000 0.750 740 E HN 0.386 nan 8.360 nan 0.000 0.452 741 K N 0.021 120.443 120.400 0.038 0.000 2.097 741 K HA -0.081 4.239 4.320 0.001 0.000 0.206 741 K C 2.267 178.909 176.600 0.070 0.000 1.049 741 K CA 1.501 57.817 56.287 0.048 0.000 0.933 741 K CB -0.212 32.313 32.500 0.042 0.000 0.717 741 K HN 0.233 nan 8.250 nan 0.000 0.442 742 I N 0.983 121.622 120.570 0.115 0.000 2.163 742 I HA -0.279 3.891 4.170 0.001 0.000 0.240 742 I C 2.224 178.405 176.117 0.107 0.000 1.081 742 I CA 1.239 62.624 61.300 0.141 0.000 1.353 742 I CB -0.355 37.802 38.000 0.261 0.000 1.054 742 I HN 0.103 nan 8.210 nan 0.000 0.407 743 L N 0.693 121.960 121.223 0.072 0.000 2.046 743 L HA -0.183 4.157 4.340 0.001 0.000 0.208 743 L C 2.889 179.763 176.870 0.008 0.000 1.077 743 L CA 1.301 56.103 54.840 -0.062 0.000 0.747 743 L CB -0.749 41.077 42.059 -0.387 0.000 0.896 743 L HN 0.238 nan 8.230 nan 0.000 0.432 744 A N 0.465 123.315 122.820 0.050 0.000 1.845 744 A HA -0.137 4.184 4.320 0.001 0.000 0.215 744 A C 2.355 179.976 177.584 0.062 0.000 1.195 744 A CA 1.759 53.843 52.037 0.079 0.000 0.616 744 A CB -1.404 17.635 19.000 0.066 0.000 0.832 744 A HN 0.424 nan 8.150 nan 0.000 0.443 745 G N -0.890 107.941 108.800 0.052 0.000 2.559 745 G HA2 0.018 3.978 3.960 0.001 0.000 0.216 745 G HA3 0.018 3.978 3.960 0.001 0.000 0.216 745 G C 1.233 176.158 174.900 0.041 0.000 1.126 745 G CA 0.707 45.833 45.100 0.044 0.000 0.778 745 G HN 0.429 nan 8.290 nan 0.000 0.543 746 L N -0.612 120.637 121.223 0.044 0.000 2.592 746 L HA 0.123 4.463 4.340 0.001 0.000 0.227 746 L C 0.838 177.733 176.870 0.043 0.000 1.127 746 L CA -0.087 54.775 54.840 0.036 0.000 0.884 746 L CB 0.069 42.143 42.059 0.026 0.000 1.065 746 L HN 0.141 nan 8.230 nan 0.000 0.457 747 Q N -0.251 119.583 119.800 0.057 0.000 2.487 747 Q HA -0.231 4.109 4.340 0.001 0.000 0.279 747 Q C -0.002 176.053 176.000 0.091 0.000 1.228 747 Q CA 1.012 56.856 55.803 0.068 0.000 0.873 747 Q CB -1.856 26.911 28.738 0.049 0.000 1.260 747 Q HN 0.524 nan 8.270 nan 0.000 0.471 748 M N 1.405 121.080 119.600 0.125 0.000 2.146 748 M HA 0.127 4.608 4.480 0.001 0.000 0.352 748 M C 0.150 176.619 176.300 0.281 0.000 1.343 748 M CA -0.146 55.267 55.300 0.188 0.000 1.115 748 M CB 0.563 33.259 32.600 0.160 0.000 1.657 748 M HN 0.057 nan 8.290 nan 0.000 0.471 749 D N 7.313 127.833 120.400 0.201 0.000 2.570 749 D HA -0.023 4.617 4.640 0.001 0.000 0.243 749 D C -1.825 174.557 176.300 0.137 0.000 1.171 749 D CA -1.076 53.011 54.000 0.144 0.000 0.879 749 D CB 0.962 41.827 40.800 0.108 0.000 1.143 749 D HN 0.414 nan 8.370 nan 0.000 0.511 750 P HA -0.142 nan 4.420 nan 0.000 0.222 750 P C 0.723 177.855 177.300 -0.279 0.000 1.142 750 P CA 1.424 64.383 63.100 -0.235 0.000 0.788 750 P CB 0.215 31.831 31.700 -0.141 0.000 0.767 751 A N -0.377 122.398 122.820 -0.075 0.000 1.970 751 A HA -0.129 4.191 4.320 0.001 0.000 0.216 751 A C 1.987 179.621 177.584 0.084 0.000 1.170 751 A CA 1.051 53.084 52.037 -0.006 0.000 0.645 751 A CB -0.818 18.198 19.000 0.027 0.000 0.816 751 A HN 0.157 nan 8.150 nan 0.000 0.447 752 E N -1.712 118.572 120.200 0.141 0.000 2.478 752 E HA 0.019 4.369 4.350 0.001 0.000 0.198 752 E C -0.226 176.632 176.600 0.429 0.000 1.046 752 E CA 0.550 57.120 56.400 0.285 0.000 0.870 752 E CB -0.090 29.796 29.700 0.309 0.000 0.818 752 E HN 0.869 nan 8.360 nan 0.000 0.527 753 Y N -2.724 117.655 120.300 0.131 0.000 2.725 753 Y HA 0.636 5.186 4.550 0.001 0.000 0.333 753 Y C -1.265 174.487 175.900 -0.247 0.000 1.242 753 Y CA -1.627 56.424 58.100 -0.082 0.000 1.059 753 Y CB 1.071 39.419 38.460 -0.187 0.000 1.306 753 Y HN -0.405 nan 8.280 nan 0.000 0.454 754 R N 1.677 121.964 120.500 -0.354 0.000 2.604 754 R HA 0.474 4.815 4.340 0.001 0.000 0.281 754 R C -1.841 174.372 176.300 -0.145 0.000 1.020 754 R CA -0.953 54.902 56.100 -0.408 0.000 0.899 754 R CB 2.332 32.215 30.300 -0.695 0.000 1.205 754 R HN 0.870 nan 8.270 nan 0.000 0.450 755 L N 2.264 123.457 121.223 -0.050 0.000 2.261 755 L HA 0.408 4.748 4.340 0.001 0.000 0.289 755 L C 1.334 178.260 176.870 0.093 0.000 1.059 755 L CA -0.418 54.481 54.840 0.098 0.000 0.816 755 L CB 1.149 43.285 42.059 0.127 0.000 1.191 755 L HN 0.684 nan 8.230 nan 0.000 0.431 756 G N 0.874 109.761 108.800 0.145 0.000 2.553 756 G HA2 0.235 4.196 3.960 0.001 0.000 0.278 756 G HA3 0.235 4.196 3.960 0.001 0.000 0.278 756 G C 0.944 175.959 174.900 0.191 0.000 1.349 756 G CA 0.232 45.423 45.100 0.151 0.000 1.037 756 G HN 0.639 nan 8.290 nan 0.000 0.508 757 T N -4.635 110.005 114.554 0.144 0.000 3.107 757 T HA 0.244 4.594 4.350 0.001 0.000 0.249 757 T C 1.260 176.071 174.700 0.184 0.000 1.096 757 T CA 1.354 63.540 62.100 0.144 0.000 1.012 757 T CB 0.394 69.309 68.868 0.079 0.000 0.977 757 T HN 0.368 nan 8.240 nan 0.000 0.527 758 T N -0.038 114.600 114.554 0.140 0.000 3.265 758 T HA 0.250 4.600 4.350 0.001 0.000 0.263 758 T C -0.344 174.161 174.700 -0.325 0.000 0.862 758 T CA -0.163 61.969 62.100 0.053 0.000 0.900 758 T CB 0.661 69.540 68.868 0.018 0.000 1.260 758 T HN 0.346 nan 8.240 nan 0.000 0.547 759 K N 1.009 121.124 120.400 -0.475 0.000 2.395 759 K HA 0.779 5.099 4.320 0.001 0.000 0.247 759 K C -1.413 174.647 176.600 -0.902 0.000 0.973 759 K CA -0.818 54.979 56.287 -0.816 0.000 0.828 759 K CB 3.123 35.199 32.500 -0.707 0.000 1.272 759 K HN -0.005 nan 8.250 nan 0.000 0.439 760 V N 2.918 122.260 119.914 -0.953 0.000 2.398 760 V HA 0.473 4.593 4.120 0.001 0.000 0.286 760 V C -1.475 174.140 176.094 -0.798 0.000 1.026 760 V CA -0.538 61.346 62.300 -0.693 0.000 0.868 760 V CB 0.201 31.607 31.823 -0.696 0.000 0.982 760 V HN 0.536 nan 8.190 nan 0.000 0.443 761 F N 6.806 126.361 119.950 -0.659 0.000 2.399 761 F HA 0.703 5.231 4.527 0.001 0.000 0.334 761 F C -0.182 175.247 175.800 -0.619 0.000 1.097 761 F CA -0.509 57.175 58.000 -0.528 0.000 1.076 761 F CB 1.395 40.081 39.000 -0.522 0.000 1.162 761 F HN 0.368 nan 8.300 nan 0.000 0.495 762 F N 1.568 121.663 119.950 0.242 0.000 2.563 762 F HA 0.465 4.992 4.527 0.001 0.000 0.316 762 F C 0.230 176.235 175.800 0.341 0.000 1.076 762 F CA -1.298 56.860 58.000 0.264 0.000 0.921 762 F CB 1.316 40.390 39.000 0.123 0.000 1.209 762 F HN 0.190 nan 8.300 nan 0.000 0.462 763 K N 1.037 121.742 120.400 0.508 0.000 2.149 763 K HA 0.518 4.839 4.320 0.001 0.000 0.245 763 K C -0.108 176.603 176.600 0.185 0.000 1.024 763 K CA -0.330 56.108 56.287 0.251 0.000 0.899 763 K CB 0.792 33.392 32.500 0.166 0.000 1.038 763 K HN 0.756 nan 8.250 nan 0.000 0.496 764 A N 0.084 122.954 122.820 0.084 0.000 2.477 764 A HA 0.420 4.741 4.320 0.001 0.000 0.246 764 A C 1.211 178.827 177.584 0.053 0.000 1.078 764 A CA 0.930 53.004 52.037 0.061 0.000 0.770 764 A CB -0.380 18.634 19.000 0.024 0.000 1.011 764 A HN 0.829 nan 8.150 nan 0.000 0.494 765 G N 0.846 109.667 108.800 0.034 0.000 2.358 765 G HA2 -0.289 3.671 3.960 0.001 0.000 0.224 765 G HA3 -0.289 3.671 3.960 0.001 0.000 0.224 765 G C 1.108 176.006 174.900 -0.004 0.000 1.073 765 G CA 0.697 45.807 45.100 0.015 0.000 0.635 765 G HN 1.227 nan 8.290 nan 0.000 0.509 766 V N 1.475 121.400 119.914 0.018 0.000 2.214 766 V HA -0.160 3.960 4.120 0.001 0.000 0.245 766 V C 2.648 178.617 176.094 -0.208 0.000 1.047 766 V CA 2.536 64.812 62.300 -0.039 0.000 0.998 766 V CB -0.816 31.056 31.823 0.081 0.000 0.633 766 V HN 0.495 nan 8.190 nan 0.000 0.446 767 L N 1.227 122.261 121.223 -0.314 0.000 2.263 767 L HA -0.130 4.210 4.340 0.001 0.000 0.216 767 L C 2.128 178.864 176.870 -0.223 0.000 1.111 767 L CA 2.211 56.791 54.840 -0.433 0.000 0.773 767 L CB -1.095 40.785 42.059 -0.300 0.000 0.906 767 L HN 0.346 nan 8.230 nan 0.000 0.439 768 G N -1.517 107.206 108.800 -0.127 0.000 2.464 768 G HA2 -0.192 3.768 3.960 0.001 0.000 0.217 768 G HA3 -0.192 3.768 3.960 0.001 0.000 0.217 768 G C 1.372 176.229 174.900 -0.073 0.000 1.138 768 G CA 0.481 45.536 45.100 -0.075 0.000 0.793 768 G HN 0.450 nan 8.290 nan 0.000 0.539 769 N N 0.508 119.152 118.700 -0.093 0.000 2.333 769 N HA 0.061 4.801 4.740 0.001 0.000 0.178 769 N C 2.193 177.644 175.510 -0.097 0.000 1.018 769 N CA 0.236 53.241 53.050 -0.075 0.000 0.882 769 N CB -0.143 38.307 38.487 -0.062 0.000 0.984 769 N HN 0.245 nan 8.380 nan 0.000 0.434 770 L N 1.248 122.361 121.223 -0.183 0.000 2.083 770 L HA -0.094 4.246 4.340 0.001 0.000 0.209 770 L C 2.246 179.077 176.870 -0.065 0.000 1.083 770 L CA 1.046 55.740 54.840 -0.242 0.000 0.752 770 L CB -0.213 41.480 42.059 -0.610 0.000 0.899 770 L HN 0.069 nan 8.230 nan 0.000 0.433 771 E N 0.008 120.198 120.200 -0.017 0.000 2.110 771 E HA -0.184 4.166 4.350 0.001 0.000 0.193 771 E C 2.101 178.720 176.600 0.031 0.000 0.988 771 E CA 0.931 57.382 56.400 0.085 0.000 0.804 771 E CB 0.018 29.746 29.700 0.046 0.000 0.745 771 E HN 0.451 nan 8.360 nan 0.000 0.458 772 E N 0.299 120.496 120.200 -0.006 0.000 2.047 772 E HA -0.108 4.243 4.350 0.001 0.000 0.191 772 E C 2.223 178.820 176.600 -0.005 0.000 0.987 772 E CA 0.766 57.160 56.400 -0.011 0.000 0.799 772 E CB -0.421 29.267 29.700 -0.020 0.000 0.752 772 E HN 0.327 nan 8.360 nan 0.000 0.449 773 M N 0.334 119.929 119.600 -0.009 0.000 2.080 773 M HA -0.167 4.314 4.480 0.001 0.000 0.260 773 M C 2.510 178.818 176.300 0.013 0.000 1.068 773 M CA 1.594 56.892 55.300 -0.004 0.000 1.109 773 M CB -0.364 32.227 32.600 -0.015 0.000 1.342 773 M HN -0.014 nan 8.290 nan 0.000 0.405 774 R N 0.387 120.913 120.500 0.043 0.000 2.159 774 R HA -0.188 4.152 4.340 0.001 0.000 0.237 774 R C 1.489 177.792 176.300 0.004 0.000 1.131 774 R CA 1.693 57.820 56.100 0.046 0.000 0.982 774 R CB -0.220 30.141 30.300 0.101 0.000 0.868 774 R HN 0.404 nan 8.270 nan 0.000 0.453 775 D N -0.022 120.379 120.400 0.002 0.000 2.183 775 D HA -0.087 4.554 4.640 0.001 0.000 0.205 775 D C 1.509 177.804 176.300 -0.008 0.000 0.962 775 D CA 0.920 54.914 54.000 -0.010 0.000 0.849 775 D CB 0.151 40.944 40.800 -0.011 0.000 0.978 775 D HN 0.387 nan 8.370 nan 0.000 0.488 776 E N 0.668 120.865 120.200 -0.004 0.000 2.058 776 E HA -0.212 4.138 4.350 0.001 0.000 0.194 776 E C 2.103 178.703 176.600 -0.001 0.000 0.997 776 E CA 0.869 57.267 56.400 -0.003 0.000 0.801 776 E CB 0.089 29.788 29.700 -0.003 0.000 0.746 776 E HN -0.063 nan 8.360 nan 0.000 0.450 777 R N 0.883 121.383 120.500 -0.000 0.000 2.094 777 R HA -0.170 4.171 4.340 0.001 0.000 0.239 777 R C 2.049 178.347 176.300 -0.004 0.000 1.137 777 R CA 1.302 57.402 56.100 -0.000 0.000 0.943 777 R CB -0.811 29.490 30.300 0.000 0.000 0.850 777 R HN 0.113 nan 8.270 nan 0.000 0.433 778 L N 0.258 121.474 121.223 -0.012 0.000 2.079 778 L HA -0.086 4.255 4.340 0.001 0.000 0.210 778 L C 2.424 179.290 176.870 -0.006 0.000 1.081 778 L CA 2.204 57.033 54.840 -0.018 0.000 0.752 778 L CB -1.254 40.788 42.059 -0.030 0.000 0.896 778 L HN 0.312 nan 8.230 nan 0.000 0.433 779 S N -1.488 114.210 115.700 -0.003 0.000 2.428 779 S HA -0.117 4.353 4.470 0.001 0.000 0.230 779 S C 2.029 176.637 174.600 0.015 0.000 1.014 779 S CA 0.750 58.953 58.200 0.005 0.000 0.957 779 S CB -0.015 63.186 63.200 0.002 0.000 0.784 779 S HN 0.275 nan 8.310 nan 0.000 0.499 780 K N 1.454 121.862 120.400 0.013 0.000 2.044 780 K HA 0.181 4.502 4.320 0.001 0.000 0.204 780 K C 2.005 178.625 176.600 0.032 0.000 1.049 780 K CA 0.979 57.277 56.287 0.019 0.000 0.945 780 K CB -0.940 31.567 32.500 0.013 0.000 0.724 780 K HN 0.438 nan 8.250 nan 0.000 0.440 781 I N 1.111 121.698 120.570 0.029 0.000 2.208 781 I HA -0.275 3.896 4.170 0.001 0.000 0.245 781 I C 2.345 178.509 176.117 0.079 0.000 1.097 781 I CA 1.187 62.514 61.300 0.045 0.000 1.363 781 I CB -0.309 37.703 38.000 0.020 0.000 1.051 781 I HN 0.037 nan 8.210 nan 0.000 0.413 782 I N 0.625 121.229 120.570 0.057 0.000 2.179 782 I HA -0.299 3.871 4.170 0.001 0.000 0.242 782 I C 2.797 178.989 176.117 0.126 0.000 1.088 782 I CA 1.817 63.170 61.300 0.088 0.000 1.357 782 I CB -0.303 37.724 38.000 0.044 0.000 1.051 782 I HN 0.333 nan 8.210 nan 0.000 0.409 783 S N 0.657 116.403 115.700 0.078 0.000 2.419 783 S HA -0.171 4.299 4.470 0.001 0.000 0.233 783 S C 1.991 176.633 174.600 0.071 0.000 1.016 783 S CA 0.960 59.199 58.200 0.064 0.000 0.974 783 S CB -0.387 62.835 63.200 0.036 0.000 0.786 783 S HN 0.370 nan 8.310 nan 0.000 0.492 784 M N -0.191 119.460 119.600 0.086 0.000 2.200 784 M HA 0.118 4.598 4.480 0.001 0.000 0.265 784 M C 2.014 178.393 176.300 0.132 0.000 1.066 784 M CA 1.323 56.669 55.300 0.077 0.000 1.127 784 M CB -0.467 32.175 32.600 0.070 0.000 1.379 784 M HN 0.433 nan 8.290 nan 0.000 0.420 785 F N 1.560 121.540 119.950 0.050 0.000 2.293 785 F HA -0.190 4.338 4.527 0.001 0.000 0.300 785 F C 2.263 178.105 175.800 0.070 0.000 1.086 785 F CA 1.596 59.642 58.000 0.077 0.000 1.375 785 F CB -0.171 38.850 39.000 0.036 0.000 1.045 785 F HN 0.155 nan 8.300 nan 0.000 0.516 786 Q N -0.307 119.533 119.800 0.065 0.000 2.172 786 Q HA -0.070 4.270 4.340 0.001 0.000 0.200 786 Q C 2.431 178.396 176.000 -0.059 0.000 0.964 786 Q CA 1.157 56.946 55.803 -0.023 0.000 0.855 786 Q CB -0.368 28.398 28.738 0.045 0.000 0.918 786 Q HN 0.491 nan 8.270 nan 0.000 0.444 787 A N 0.054 122.861 122.820 -0.022 0.000 1.968 787 A HA -0.188 4.132 4.320 0.001 0.000 0.217 787 A C 1.610 179.184 177.584 -0.017 0.000 1.169 787 A CA 1.249 53.272 52.037 -0.023 0.000 0.638 787 A CB -0.607 18.378 19.000 -0.025 0.000 0.812 787 A HN 0.416 nan 8.150 nan 0.000 0.446 788 H N -0.691 118.289 119.070 -0.150 0.000 2.389 788 H HA 0.002 4.558 4.556 0.001 0.000 0.299 788 H C 1.917 177.131 175.328 -0.190 0.000 1.081 788 H CA 1.329 57.278 56.048 -0.164 0.000 1.345 788 H CB -0.024 29.605 29.762 -0.223 0.000 1.393 788 H HN 0.462 nan 8.280 nan 0.000 0.520 789 I N 0.150 120.609 120.570 -0.184 0.000 2.179 789 I HA -0.264 3.907 4.170 0.001 0.000 0.242 789 I C 2.553 178.640 176.117 -0.050 0.000 1.088 789 I CA 1.124 62.291 61.300 -0.221 0.000 1.357 789 I CB -0.257 37.564 38.000 -0.298 0.000 1.051 789 I HN 0.233 nan 8.210 nan 0.000 0.409 790 R N 0.563 121.044 120.500 -0.031 0.000 2.105 790 R HA -0.146 4.194 4.340 0.001 0.000 0.239 790 R C 2.293 178.620 176.300 0.045 0.000 1.135 790 R CA 1.502 57.606 56.100 0.007 0.000 0.967 790 R CB -0.559 29.741 30.300 -0.001 0.000 0.861 790 R HN 0.465 nan 8.270 nan 0.000 0.442 791 G N -0.904 107.932 108.800 0.059 0.000 2.484 791 G HA2 -0.270 3.690 3.960 0.001 0.000 0.218 791 G HA3 -0.270 3.690 3.960 0.001 0.000 0.218 791 G C 1.079 176.054 174.900 0.125 0.000 1.130 791 G CA 0.179 45.323 45.100 0.073 0.000 0.784 791 G HN 0.347 nan 8.290 nan 0.000 0.543 792 Y N 1.021 121.319 120.300 -0.002 0.000 2.314 792 Y HA 0.216 4.767 4.550 0.001 0.000 0.294 792 Y C 2.418 178.310 175.900 -0.013 0.000 1.119 792 Y CA 0.490 58.580 58.100 -0.016 0.000 1.179 792 Y CB -0.174 38.251 38.460 -0.060 0.000 1.025 792 Y HN 0.071 nan 8.280 nan 0.000 0.541 793 L N -0.416 121.002 121.223 0.325 0.000 2.046 793 L HA -0.241 4.099 4.340 0.001 0.000 0.208 793 L C 2.202 179.143 176.870 0.119 0.000 1.077 793 L CA 0.929 55.900 54.840 0.218 0.000 0.747 793 L CB -0.628 41.498 42.059 0.112 0.000 0.896 793 L HN 0.244 nan 8.230 nan 0.000 0.432 794 I N -0.040 120.583 120.570 0.088 0.000 2.193 794 I HA -0.223 3.947 4.170 0.001 0.000 0.240 794 I C 2.585 178.740 176.117 0.063 0.000 1.084 794 I CA 1.365 62.706 61.300 0.068 0.000 1.365 794 I CB -1.053 36.978 38.000 0.052 0.000 1.064 794 I HN 0.184 nan 8.210 nan 0.000 0.410 795 R N 0.606 121.113 120.500 0.013 0.000 2.249 795 R HA -0.168 4.172 4.340 0.001 0.000 0.230 795 R C 2.189 178.471 176.300 -0.031 0.000 1.121 795 R CA 0.899 56.977 56.100 -0.036 0.000 0.997 795 R CB -0.053 30.183 30.300 -0.108 0.000 0.867 795 R HN 0.129 nan 8.270 nan 0.000 0.465 796 K N -0.315 120.057 120.400 -0.046 0.000 2.137 796 K HA 0.098 4.418 4.320 0.001 0.000 0.202 796 K C 1.174 177.787 176.600 0.022 0.000 1.052 796 K CA 1.275 57.530 56.287 -0.052 0.000 0.961 796 K CB 0.188 32.667 32.500 -0.035 0.000 0.741 796 K HN 0.145 nan 8.250 nan 0.000 0.452 797 A N -0.018 122.834 122.820 0.052 0.000 2.302 797 A HA -0.004 4.316 4.320 0.001 0.000 0.219 797 A C 1.481 179.101 177.584 0.060 0.000 1.243 797 A CA -0.138 51.926 52.037 0.045 0.000 0.856 797 A CB -0.429 18.596 19.000 0.041 0.000 0.893 797 A HN 0.323 nan 8.150 nan 0.000 0.491 798 Y N 0.479 120.761 120.300 -0.029 0.000 2.153 798 Y HA -0.090 4.460 4.550 0.001 0.000 0.289 798 Y C 2.292 178.177 175.900 -0.025 0.000 1.119 798 Y CA 1.990 60.074 58.100 -0.027 0.000 1.116 798 Y CB -0.079 38.361 38.460 -0.033 0.000 1.004 798 Y HN 0.173 nan 8.280 nan 0.000 0.501 799 K N 1.329 121.717 120.400 -0.020 0.000 2.034 799 K HA -0.295 4.025 4.320 0.001 0.000 0.214 799 K C 2.191 178.707 176.600 -0.141 0.000 1.051 799 K CA 2.201 58.435 56.287 -0.087 0.000 0.931 799 K CB -0.606 31.890 32.500 -0.006 0.000 0.715 799 K HN 0.404 nan 8.250 nan 0.000 0.446 800 K N 0.251 120.595 120.400 -0.092 0.000 2.097 800 K HA -0.163 4.158 4.320 0.001 0.000 0.206 800 K C 2.267 178.797 176.600 -0.117 0.000 1.049 800 K CA 1.146 57.384 56.287 -0.083 0.000 0.933 800 K CB -0.209 32.263 32.500 -0.047 0.000 0.717 800 K HN 0.030 nan 8.250 nan 0.000 0.442 801 L N 2.001 123.130 121.223 -0.158 0.000 2.046 801 L HA -0.221 4.119 4.340 0.001 0.000 0.208 801 L C 2.544 179.289 176.870 -0.208 0.000 1.077 801 L CA 1.857 56.597 54.840 -0.167 0.000 0.747 801 L CB -0.499 41.456 42.059 -0.174 0.000 0.896 801 L HN 0.373 nan 8.230 nan 0.000 0.432 802 Q N -2.419 117.190 119.800 -0.318 0.000 2.245 802 Q HA -0.151 4.190 4.340 0.001 0.000 0.201 802 Q C 1.226 177.134 176.000 -0.153 0.000 0.955 802 Q CA 1.378 57.024 55.803 -0.262 0.000 0.870 802 Q CB -0.353 28.170 28.738 -0.359 0.000 0.945 802 Q HN 0.363 nan 8.270 nan 0.000 0.461 803 D N 1.223 121.543 120.400 -0.134 0.000 2.277 803 D HA -0.073 4.568 4.640 0.001 0.000 0.208 803 D C 1.610 177.867 176.300 -0.072 0.000 0.962 803 D CA 0.840 54.788 54.000 -0.086 0.000 0.865 803 D CB 0.099 40.856 40.800 -0.071 0.000 0.939 803 D HN 0.410 nan 8.370 nan 0.000 0.510 804 Q N -0.246 119.506 119.800 -0.079 0.000 2.432 804 Q HA 0.043 4.383 4.340 0.001 0.000 0.205 804 Q C 1.972 177.938 176.000 -0.058 0.000 0.945 804 Q CA 0.132 55.898 55.803 -0.061 0.000 0.924 804 Q CB 0.415 29.119 28.738 -0.057 0.000 1.016 804 Q HN 0.175 nan 8.270 nan 0.000 0.503 805 R N 0.983 121.441 120.500 -0.070 0.000 2.073 805 R HA -0.056 4.285 4.340 0.001 0.000 0.229 805 R C 1.990 178.262 176.300 -0.047 0.000 1.120 805 R CA 0.791 56.856 56.100 -0.058 0.000 0.967 805 R CB -0.026 30.234 30.300 -0.067 0.000 0.862 805 R HN 0.173 nan 8.270 nan 0.000 0.436 806 I N 0.427 120.967 120.570 -0.050 0.000 2.142 806 I HA -0.201 3.969 4.170 0.001 0.000 0.240 806 I C 2.474 178.569 176.117 -0.038 0.000 1.078 806 I CA 1.613 62.889 61.300 -0.041 0.000 1.343 806 I CB -0.749 37.226 38.000 -0.042 0.000 1.046 806 I HN 0.437 nan 8.210 nan 0.000 0.405 807 G N 0.951 109.727 108.800 -0.040 0.000 2.469 807 G HA2 -0.295 3.665 3.960 0.001 0.000 0.219 807 G HA3 -0.295 3.665 3.960 0.001 0.000 0.219 807 G C 1.649 176.529 174.900 -0.034 0.000 1.150 807 G CA 0.905 45.983 45.100 -0.037 0.000 0.763 807 G HN 0.281 nan 8.290 nan 0.000 0.561 808 L N 1.641 122.844 121.223 -0.034 0.000 2.109 808 L HA 0.030 4.371 4.340 0.001 0.000 0.207 808 L C 3.122 179.976 176.870 -0.026 0.000 1.086 808 L CA 2.261 57.083 54.840 -0.029 0.000 0.760 808 L CB -0.459 41.584 42.059 -0.027 0.000 0.910 808 L HN 0.341 nan 8.230 nan 0.000 0.437 809 S N -1.917 113.766 115.700 -0.027 0.000 2.382 809 S HA -0.155 4.316 4.470 0.001 0.000 0.228 809 S C 1.948 176.534 174.600 -0.024 0.000 1.027 809 S CA 1.324 59.510 58.200 -0.024 0.000 0.991 809 S CB -1.162 62.023 63.200 -0.025 0.000 0.823 809 S HN 0.233 nan 8.310 nan 0.000 0.469 810 V N 2.018 121.916 119.914 -0.027 0.000 2.358 810 V HA -0.090 4.030 4.120 0.001 0.000 0.246 810 V C 2.437 178.513 176.094 -0.029 0.000 1.047 810 V CA 1.763 64.046 62.300 -0.028 0.000 1.035 810 V CB -0.640 31.165 31.823 -0.031 0.000 0.658 810 V HN 0.493 nan 8.190 nan 0.000 0.452 811 I N -0.533 120.018 120.570 -0.031 0.000 2.202 811 I HA -0.287 3.883 4.170 0.001 0.000 0.242 811 I C 2.603 178.706 176.117 -0.023 0.000 1.091 811 I CA 1.573 62.852 61.300 -0.034 0.000 1.368 811 I CB -0.327 37.652 38.000 -0.036 0.000 1.058 811 I HN 0.352 nan 8.210 nan 0.000 0.410 812 Q N -0.087 119.704 119.800 -0.016 0.000 2.224 812 Q HA -0.182 4.158 4.340 0.001 0.000 0.203 812 Q C 2.274 178.274 176.000 0.000 0.000 0.970 812 Q CA 0.996 56.797 55.803 -0.004 0.000 0.865 812 Q CB -0.059 28.676 28.738 -0.006 0.000 0.922 812 Q HN 0.389 nan 8.270 nan 0.000 0.445 813 R N 0.570 121.065 120.500 -0.009 0.000 2.075 813 R HA -0.051 4.290 4.340 0.001 0.000 0.226 813 R C 1.319 177.617 176.300 -0.003 0.000 1.114 813 R CA 1.293 57.387 56.100 -0.010 0.000 0.972 813 R CB 0.145 30.433 30.300 -0.018 0.000 0.869 813 R HN 0.201 nan 8.270 nan 0.000 0.437 814 N N -0.071 118.624 118.700 -0.007 0.000 2.459 814 N HA -0.020 4.720 4.740 0.001 0.000 0.181 814 N C 1.356 176.889 175.510 0.039 0.000 1.046 814 N CA 0.781 53.830 53.050 -0.001 0.000 0.904 814 N CB 0.177 38.647 38.487 -0.029 0.000 0.964 814 N HN 0.249 nan 8.380 nan 0.000 0.444 815 I N -0.017 120.580 120.570 0.046 0.000 2.716 815 I HA -0.058 4.112 4.170 0.001 0.000 0.259 815 I C 2.015 178.245 176.117 0.187 0.000 1.172 815 I CA 0.479 61.855 61.300 0.126 0.000 1.478 815 I CB 0.038 38.084 38.000 0.076 0.000 1.104 815 I HN 0.107 nan 8.210 nan 0.000 0.439 816 R N 0.725 121.278 120.500 0.088 0.000 2.090 816 R HA -0.075 4.266 4.340 0.001 0.000 0.228 816 R C 2.262 178.577 176.300 0.025 0.000 1.110 816 R CA 0.812 56.942 56.100 0.050 0.000 0.973 816 R CB -0.057 30.249 30.300 0.011 0.000 0.869 816 R HN 0.217 nan 8.270 nan 0.000 0.440 817 K N 0.185 120.599 120.400 0.024 0.000 1.985 817 K HA -0.210 4.110 4.320 0.001 0.000 0.210 817 K C 1.750 178.350 176.600 0.001 0.000 1.047 817 K CA 1.267 57.541 56.287 -0.023 0.000 0.932 817 K CB -0.613 31.871 32.500 -0.025 0.000 0.716 817 K HN 0.254 nan 8.250 nan 0.000 0.439 818 W N 2.420 123.650 121.300 -0.117 0.000 2.305 818 W HA -0.237 4.423 4.660 0.001 0.000 0.308 818 W C 1.780 178.240 176.519 -0.098 0.000 1.226 818 W CA 1.657 58.931 57.345 -0.119 0.000 1.253 818 W CB -0.451 28.962 29.460 -0.079 0.000 1.146 818 W HN -0.006 nan 8.180 nan 0.000 0.507 819 L N -0.847 120.307 121.223 -0.116 0.000 2.005 819 L HA -0.200 4.140 4.340 0.001 0.000 0.207 819 L C 2.501 179.231 176.870 -0.235 0.000 1.072 819 L CA 1.330 55.995 54.840 -0.292 0.000 0.744 819 L CB -1.711 40.296 42.059 -0.088 0.000 0.895 819 L HN -0.072 nan 8.230 nan 0.000 0.433 820 V N 0.206 120.028 119.914 -0.153 0.000 2.380 820 V HA -0.299 3.821 4.120 0.001 0.000 0.251 820 V C 2.409 178.405 176.094 -0.163 0.000 1.063 820 V CA 1.925 64.136 62.300 -0.148 0.000 1.055 820 V CB -0.058 31.662 31.823 -0.172 0.000 0.657 820 V HN 0.309 nan 8.190 nan 0.000 0.455 821 L N 0.367 121.450 121.223 -0.232 0.000 1.961 821 L HA -0.049 4.291 4.340 0.001 0.000 0.209 821 L C 2.639 179.408 176.870 -0.168 0.000 1.075 821 L CA 1.943 56.630 54.840 -0.255 0.000 0.749 821 L CB -0.964 40.816 42.059 -0.466 0.000 0.890 821 L HN 0.172 nan 8.230 nan 0.000 0.433 822 R N 0.378 120.670 120.500 -0.346 0.000 2.276 822 R HA -0.126 4.214 4.340 0.001 0.000 0.243 822 R C 0.913 177.215 176.300 0.004 0.000 1.161 822 R CA 0.929 56.916 56.100 -0.187 0.000 1.007 822 R CB -1.035 28.964 30.300 -0.502 0.000 0.867 822 R HN 0.559 nan 8.270 nan 0.000 0.472 823 N N -1.187 117.515 118.700 0.004 0.000 2.234 823 N HA -0.038 4.702 4.740 0.001 0.000 0.227 823 N C -0.789 174.852 175.510 0.219 0.000 1.151 823 N CA -0.126 52.965 53.050 0.070 0.000 0.865 823 N CB 0.308 38.790 38.487 -0.008 0.000 1.066 823 N HN 0.077 nan 8.380 nan 0.000 0.515 824 W N 3.085 124.433 121.300 0.080 0.000 2.331 824 W HA 0.262 4.922 4.660 0.001 0.000 0.306 824 W C 1.364 177.974 176.519 0.153 0.000 1.162 824 W CA -0.559 56.868 57.345 0.137 0.000 1.232 824 W CB 0.741 30.324 29.460 0.205 0.000 1.235 824 W HN -0.012 nan 8.180 nan 0.000 0.479 825 Q N 3.177 122.996 119.800 0.032 0.000 2.118 825 Q HA -0.284 4.057 4.340 0.001 0.000 0.211 825 Q C 1.876 177.617 176.000 -0.432 0.000 0.998 825 Q CA 2.529 58.179 55.803 -0.254 0.000 0.872 825 Q CB -0.665 27.833 28.738 -0.400 0.000 0.925 825 Q HN 0.822 nan 8.270 nan 0.000 0.414 826 W N -0.294 120.564 121.300 -0.737 0.000 2.335 826 W HA -0.206 4.454 4.660 0.001 0.000 0.311 826 W C 2.312 178.627 176.519 -0.339 0.000 1.213 826 W CA 0.587 57.469 57.345 -0.772 0.000 1.274 826 W CB -0.693 27.803 29.460 -1.605 0.000 1.148 826 W HN 0.368 nan 8.180 nan 0.000 0.498 827 W N 1.360 122.645 121.300 -0.024 0.000 2.402 827 W HA -0.129 4.531 4.660 0.001 0.000 0.286 827 W C 1.046 177.651 176.519 0.142 0.000 1.221 827 W CA 1.067 58.547 57.345 0.226 0.000 1.257 827 W CB -0.150 29.545 29.460 0.392 0.000 1.120 827 W HN -0.286 nan 8.180 nan 0.000 0.551 828 K N 1.207 121.657 120.400 0.082 0.000 2.630 828 K HA -0.042 4.278 4.320 0.001 0.000 0.204 828 K C 1.017 177.543 176.600 -0.123 0.000 1.024 828 K CA 0.359 56.626 56.287 -0.033 0.000 1.157 828 K CB -0.174 32.335 32.500 0.015 0.000 0.899 828 K HN 0.282 nan 8.250 nan 0.000 0.501 829 L N -2.118 119.020 121.223 -0.143 0.000 2.753 829 L HA 0.108 4.448 4.340 0.001 0.000 0.238 829 L C 1.590 178.389 176.870 -0.117 0.000 1.028 829 L CA 0.311 55.078 54.840 -0.123 0.000 0.966 829 L CB -0.292 41.704 42.059 -0.105 0.000 1.681 829 L HN 0.046 nan 8.230 nan 0.000 0.511 830 Y N 0.795 120.944 120.300 -0.251 0.000 2.403 830 Y HA -0.123 4.427 4.550 0.001 0.000 0.291 830 Y C 2.270 177.921 175.900 -0.415 0.000 1.143 830 Y CA 1.699 59.624 58.100 -0.291 0.000 1.257 830 Y CB -0.155 38.119 38.460 -0.310 0.000 0.984 830 Y HN 0.413 nan 8.280 nan 0.000 0.550 831 S N -1.575 113.795 115.700 -0.551 0.000 2.478 831 S HA 0.018 4.489 4.470 0.001 0.000 0.222 831 S C 1.720 176.128 174.600 -0.319 0.000 1.008 831 S CA 0.106 57.993 58.200 -0.521 0.000 0.928 831 S CB -0.024 62.882 63.200 -0.491 0.000 0.781 831 S HN 0.203 nan 8.310 nan 0.000 0.518 832 K N 1.182 121.431 120.400 -0.250 0.000 2.243 832 K HA 0.287 4.608 4.320 0.001 0.000 0.201 832 K C 1.900 178.398 176.600 -0.170 0.000 1.051 832 K CA 0.570 56.755 56.287 -0.170 0.000 0.970 832 K CB -0.356 32.066 32.500 -0.130 0.000 0.755 832 K HN 0.344 nan 8.250 nan 0.000 0.465 833 V N 1.231 121.020 119.914 -0.209 0.000 2.575 833 V HA -0.068 4.052 4.120 0.001 0.000 0.242 833 V C 2.403 178.348 176.094 -0.250 0.000 1.045 833 V CA 0.882 63.072 62.300 -0.183 0.000 1.065 833 V CB -0.224 31.517 31.823 -0.137 0.000 0.717 833 V HN 0.272 nan 8.190 nan 0.000 0.467 834 K N 0.647 120.788 120.400 -0.432 0.000 2.097 834 K HA -0.288 4.032 4.320 0.001 0.000 0.214 834 K C -0.192 176.251 176.600 -0.261 0.000 1.052 834 K CA 2.508 58.497 56.287 -0.497 0.000 0.932 834 K CB -1.266 30.808 32.500 -0.711 0.000 0.716 834 K HN 0.381 nan 8.250 nan 0.000 0.455 835 P HA -0.187 nan 4.420 nan 0.000 0.213 835 P C 0.519 177.762 177.300 -0.095 0.000 1.176 835 P CA 1.582 64.608 63.100 -0.124 0.000 0.919 835 P CB -0.203 31.433 31.700 -0.106 0.000 0.791 836 L N -2.999 118.169 121.223 -0.091 0.000 2.583 836 L HA 0.345 4.686 4.340 0.001 0.000 0.239 836 L C -0.106 176.727 176.870 -0.062 0.000 1.347 836 L CA 0.000 54.801 54.840 -0.066 0.000 1.246 836 L CB -1.055 40.971 42.059 -0.056 0.000 1.496 836 L HN -0.110 nan 8.230 nan 0.000 0.413 837 L N 0.000 121.185 121.223 -0.063 0.000 2.949 837 L HA 0.000 4.340 4.340 0.001 0.000 0.249 837 L CA 0.000 54.811 54.840 -0.048 0.000 0.813 837 L CB 0.000 42.023 42.059 -0.059 0.000 0.961 837 L HN 0.000 nan 8.230 nan 0.000 0.502