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 2o01_1_B DATA FIRST_RESID 2 DATA SEQUENCE ALRIPRFSQG IAQDPTTRRI WFGIATAHDF ESHDDITEGR LYQNIFASHF DATA SEQUENCE GQLAIIFLWT SGNLFHVAWQ GNFEAWVQDP FHVRPIAHAI WDPHFGQPAV DATA SEQUENCE EAFTRGGALG PVNNAYSGVY QWWYTIGLRT NEDLYTGAIF LLFLSAISLL DATA SEQUENCE AGWLHLQPKW KPSVSWFKNA ESRLNHHLSG LFGVSSLAWA GHLVHVAIPG DATA SEQUENCE SRGEYVRWNN FLDVLPYPQG LGPLLTGQWN LYAQNPSSSN HLFGTTQGAG DATA SEQUENCE TAILTILGGF HPQTQSLWLT DVAHHHLAIA FLFLIGGLMY RTNFGIGHSI DATA SEQUENCE KYILEAHIPP GGRLGRGHKG LYDTINNSIH FQLGLALASL GVITSLVAQH DATA SEQUENCE MYSLPAYAFI AQDFTTQAAL YTHHQYIAGF IMTGAFAHGP IFFIRDYNPE DATA SEQUENCE QNADNVLARM LEHKEAIISH LSWASLFLGF HTLGLYVHND VMLAFGTPEK DATA SEQUENCE QILIEPIFAQ WIQSAHGKTT YGFDIPLSST NGPALNAGRN IWLPGWLNAI DATA SEQUENCE NENSNSLFLT IGPGDFLVHH AIALGLHTTT LILVKGALDA RGSKLMPDKK DATA SEQUENCE DFGYSFPCDG PGRGGTCDIS AWDDFYLAVF WMLNTIGWVT FYWHWKHITL DATA SEQUENCE WRGNVSQFNE SSTYLMGWLR DYLWLNSSQL INGITPLVCN SLSVWAWMFL DATA SEQUENCE FGHLVWATGF MFLISWRGYW QELIETLAWA HERTPLANLI RWRDKPVALS DATA SEQUENCE IVQARLVGLV HFSVGYIFTY AAFLIASTSG KF 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.569 177.584 -0.025 0.000 1.274 2 A CA 0.000 52.024 52.037 -0.022 0.000 0.836 2 A CB 0.000 18.988 19.000 -0.019 0.000 0.831 3 L N 3.006 124.214 121.223 -0.026 0.000 2.785 3 L HA -0.129 4.213 4.340 0.004 0.000 0.590 3 L C 1.439 178.286 176.870 -0.039 0.000 1.000 3 L CA 1.212 56.033 54.840 -0.031 0.000 1.306 3 L CB -0.560 41.479 42.059 -0.033 0.000 1.738 3 L HN 1.228 nan 8.230 nan 0.000 0.846 4 R N 5.640 126.117 120.500 -0.039 0.000 2.064 4 R HA 0.148 4.490 4.340 0.004 0.000 0.221 4 R C 1.147 177.411 176.300 -0.060 0.000 1.136 4 R CA 0.766 56.840 56.100 -0.044 0.000 0.980 4 R CB -0.239 30.040 30.300 -0.035 0.000 0.876 4 R HN 0.600 nan 8.270 nan 0.000 0.437 5 I N 3.102 123.636 120.570 -0.060 0.000 3.161 5 I HA -0.071 4.101 4.170 0.004 0.000 0.284 5 I C -1.227 174.826 176.117 -0.106 0.000 1.252 5 I CA -1.424 59.828 61.300 -0.079 0.000 1.374 5 I CB 0.295 38.258 38.000 -0.061 0.000 1.359 5 I HN 0.155 nan 8.210 nan 0.000 0.606 6 P HA 0.079 nan 4.420 nan 0.000 0.200 6 P C 0.280 177.432 177.300 -0.246 0.000 1.048 6 P CA 0.923 63.907 63.100 -0.193 0.000 0.734 6 P CB 0.422 31.968 31.700 -0.256 0.000 0.648 7 R N -2.969 117.241 120.500 -0.484 0.000 3.208 7 R HA 0.392 4.735 4.340 0.004 0.000 0.143 7 R C -0.491 175.477 176.300 -0.554 0.000 0.859 7 R CA -0.675 55.153 56.100 -0.452 0.000 0.568 7 R CB -0.484 29.676 30.300 -0.233 0.000 0.945 7 R HN 0.082 nan 8.270 nan 0.000 0.368 8 F N 1.656 121.596 119.950 -0.016 0.000 1.954 8 F HA -0.152 4.377 4.527 0.003 0.000 0.188 8 F C 0.127 175.870 175.800 -0.095 0.000 0.998 8 F CA 0.594 58.557 58.000 -0.060 0.000 0.636 8 F CB -1.897 37.109 39.000 0.009 0.000 0.565 8 F HN 0.463 nan 8.300 nan 0.000 0.709 9 S N -0.161 115.542 115.700 0.005 0.000 3.386 9 S HA -0.181 4.291 4.470 0.004 0.000 0.810 9 S C 0.705 175.271 174.600 -0.057 0.000 1.062 9 S CA 0.102 58.283 58.200 -0.031 0.000 1.151 9 S CB -0.364 62.809 63.200 -0.044 0.000 0.758 9 S HN 1.005 nan 8.310 nan 0.000 0.308 10 Q N 1.659 121.435 119.800 -0.040 0.000 1.990 10 Q HA -0.012 4.330 4.340 0.004 0.000 0.200 10 Q C 2.170 178.142 176.000 -0.047 0.000 0.980 10 Q CA 1.966 57.743 55.803 -0.043 0.000 0.832 10 Q CB -1.051 27.670 28.738 -0.028 0.000 0.897 10 Q HN 1.003 nan 8.270 nan 0.000 0.427 11 G N 1.624 110.405 108.800 -0.032 0.000 2.870 11 G HA2 -0.344 3.618 3.960 0.004 0.000 0.237 11 G HA3 -0.344 3.618 3.960 0.004 0.000 0.237 11 G C 1.166 176.046 174.900 -0.032 0.000 1.209 11 G CA 2.205 47.292 45.100 -0.022 0.000 0.769 11 G HN 0.528 nan 8.290 nan 0.000 0.704 12 I N 0.043 120.596 120.570 -0.028 0.000 3.419 12 I HA 0.457 4.630 4.170 0.004 0.000 0.286 12 I C 2.648 178.728 176.117 -0.062 0.000 1.268 12 I CA 0.903 62.183 61.300 -0.032 0.000 1.414 12 I CB -0.338 37.679 38.000 0.028 0.000 1.074 12 I HN 0.198 nan 8.210 nan 0.000 0.457 13 A N 1.438 124.205 122.820 -0.088 0.000 2.067 13 A HA -0.110 4.213 4.320 0.004 0.000 0.217 13 A C 2.374 179.906 177.584 -0.086 0.000 1.156 13 A CA 1.268 53.235 52.037 -0.117 0.000 0.683 13 A CB -0.517 18.385 19.000 -0.164 0.000 0.808 13 A HN 0.671 nan 8.150 nan 0.000 0.455 14 Q N 0.264 120.025 119.800 -0.066 0.000 2.250 14 Q HA -0.047 4.295 4.340 0.004 0.000 0.200 14 Q C 0.379 176.351 176.000 -0.047 0.000 0.941 14 Q CA 0.389 56.161 55.803 -0.051 0.000 0.872 14 Q CB -0.702 28.011 28.738 -0.041 0.000 0.965 14 Q HN 0.544 nan 8.270 nan 0.000 0.480 15 D N 3.815 124.185 120.400 -0.050 0.000 2.703 15 D HA -0.102 4.540 4.640 0.004 0.000 0.225 15 D C -1.925 174.344 176.300 -0.051 0.000 1.119 15 D CA -0.297 53.671 54.000 -0.052 0.000 0.845 15 D CB 1.035 41.795 40.800 -0.067 0.000 1.182 15 D HN 0.178 nan 8.370 nan 0.000 0.493 16 P HA 0.190 nan 4.420 nan 0.000 0.298 16 P C -1.034 176.256 177.300 -0.016 0.000 1.802 16 P CA -0.346 62.741 63.100 -0.022 0.000 1.331 16 P CB 0.262 31.960 31.700 -0.004 0.000 1.699 17 T N -5.663 108.866 114.554 -0.043 0.000 2.993 17 T HA 0.237 4.589 4.350 0.004 0.000 0.312 17 T C 0.829 175.472 174.700 -0.094 0.000 1.115 17 T CA -0.117 61.959 62.100 -0.040 0.000 1.027 17 T CB 1.166 70.032 68.868 -0.004 0.000 1.116 17 T HN -0.179 nan 8.240 nan 0.000 0.464 18 T N 1.765 116.231 114.554 -0.147 0.000 3.774 18 T HA -0.393 3.959 4.350 0.004 0.000 0.225 18 T C 1.919 176.212 174.700 -0.678 0.000 0.955 18 T CA 2.777 64.658 62.100 -0.365 0.000 1.258 18 T CB -0.640 68.165 68.868 -0.105 0.000 0.858 18 T HN 0.749 nan 8.240 nan 0.000 0.570 19 R N 0.351 120.745 120.500 -0.177 0.000 2.196 19 R HA -0.150 4.192 4.340 0.004 0.000 0.227 19 R C 2.289 178.585 176.300 -0.007 0.000 1.108 19 R CA 2.110 58.234 56.100 0.041 0.000 0.884 19 R CB -0.986 29.229 30.300 -0.141 0.000 0.839 19 R HN 0.544 nan 8.270 nan 0.000 0.431 20 R N -0.191 120.280 120.500 -0.048 0.000 2.327 20 R HA -0.289 4.053 4.340 0.004 0.000 0.206 20 R C 2.364 178.628 176.300 -0.060 0.000 1.056 20 R CA 2.786 58.857 56.100 -0.048 0.000 0.564 20 R CB -1.060 29.170 30.300 -0.117 0.000 0.839 20 R HN 0.313 nan 8.270 nan 0.000 0.299 21 I N -1.337 119.077 120.570 -0.260 0.000 2.226 21 I HA -0.299 3.874 4.170 0.004 0.000 0.245 21 I C 2.231 178.256 176.117 -0.153 0.000 1.100 21 I CA 1.914 63.040 61.300 -0.291 0.000 1.374 21 I CB -0.439 37.287 38.000 -0.457 0.000 1.057 21 I HN 0.378 nan 8.210 nan 0.000 0.413 22 W N 0.460 121.838 121.300 0.130 0.000 2.338 22 W HA -0.116 4.546 4.660 0.004 0.000 0.325 22 W C 1.525 178.139 176.519 0.159 0.000 1.206 22 W CA 0.034 57.471 57.345 0.153 0.000 1.257 22 W CB -1.169 28.460 29.460 0.281 0.000 1.184 22 W HN -0.155 nan 8.180 nan 0.000 0.456 23 F N 1.704 121.782 119.950 0.213 0.000 2.665 23 F HA 0.218 4.747 4.527 0.003 0.000 0.360 23 F C 1.309 177.140 175.800 0.051 0.000 1.168 23 F CA 0.099 58.166 58.000 0.111 0.000 1.366 23 F CB -0.732 38.322 39.000 0.091 0.000 1.592 23 F HN 0.042 nan 8.300 nan 0.000 0.610 24 G N 0.149 109.059 108.800 0.184 0.000 2.474 24 G HA2 0.088 4.050 3.960 0.004 0.000 0.182 24 G HA3 0.088 4.050 3.960 0.004 0.000 0.182 24 G C 1.255 176.247 174.900 0.154 0.000 1.702 24 G CA -0.152 45.038 45.100 0.150 0.000 0.708 24 G HN 0.178 nan 8.290 nan 0.000 0.753 25 I N 2.172 122.806 120.570 0.106 0.000 2.132 25 I HA -0.344 3.828 4.170 0.004 0.000 0.238 25 I C 3.158 179.274 176.117 -0.002 0.000 1.012 25 I CA 1.754 63.092 61.300 0.063 0.000 1.288 25 I CB -0.712 37.326 38.000 0.064 0.000 0.997 25 I HN 0.333 nan 8.210 nan 0.000 0.402 26 A N 0.216 123.030 122.820 -0.010 0.000 2.365 26 A HA -0.312 4.010 4.320 0.004 0.000 0.201 26 A C 1.863 179.356 177.584 -0.152 0.000 1.169 26 A CA 2.382 54.346 52.037 -0.123 0.000 0.869 26 A CB -1.433 17.422 19.000 -0.242 0.000 0.810 26 A HN 0.440 nan 8.150 nan 0.000 0.540 27 T N 0.056 114.509 114.554 -0.168 0.000 4.302 27 T HA 0.258 4.610 4.350 0.004 0.000 0.215 27 T C 0.608 175.330 174.700 0.037 0.000 0.743 27 T CA 0.756 62.812 62.100 -0.072 0.000 2.138 27 T CB -0.992 67.886 68.868 0.016 0.000 1.275 27 T HN 0.878 nan 8.240 nan 0.000 0.664 28 A N 2.210 124.964 122.820 -0.111 0.000 2.419 28 A HA 0.282 4.604 4.320 0.004 0.000 0.233 28 A C 0.905 178.259 177.584 -0.383 0.000 1.217 28 A CA -0.137 51.819 52.037 -0.134 0.000 0.944 28 A CB 0.314 19.307 19.000 -0.011 0.000 1.025 28 A HN 0.849 nan 8.150 nan 0.000 0.524 29 H N -0.768 118.007 119.070 -0.492 0.000 2.505 29 H HA 0.181 4.739 4.556 0.004 0.000 0.260 29 H C -0.204 174.788 175.328 -0.561 0.000 1.232 29 H CA -0.350 55.327 56.048 -0.619 0.000 0.991 29 H CB 0.583 30.138 29.762 -0.345 0.000 1.729 29 H HN 0.219 nan 8.280 nan 0.000 0.561 30 D N 0.130 120.176 120.400 -0.590 0.000 2.340 30 D HA 0.001 4.643 4.640 0.004 0.000 0.217 30 D C 1.381 177.272 176.300 -0.681 0.000 1.081 30 D CA -0.203 53.458 54.000 -0.564 0.000 0.842 30 D CB -0.143 40.357 40.800 -0.500 0.000 0.934 30 D HN 0.424 nan 8.370 nan 0.000 0.511 31 F N 0.862 120.537 119.950 -0.459 0.000 2.214 31 F HA -0.193 4.336 4.527 0.004 0.000 0.302 31 F C 2.063 177.775 175.800 -0.146 0.000 1.063 31 F CA 0.662 58.498 58.000 -0.274 0.000 1.319 31 F CB -0.038 38.888 39.000 -0.124 0.000 1.046 31 F HN 0.087 nan 8.300 nan 0.000 0.505 32 E N 0.404 120.616 120.200 0.020 0.000 2.482 32 E HA -0.080 4.272 4.350 0.004 0.000 0.200 32 E C -0.438 176.181 176.600 0.032 0.000 1.147 32 E CA 0.276 56.695 56.400 0.032 0.000 0.912 32 E CB -0.053 29.652 29.700 0.007 0.000 0.938 32 E HN 0.122 nan 8.360 nan 0.000 0.519 33 S N -0.584 115.153 115.700 0.063 0.000 2.849 33 S HA 0.145 4.617 4.470 0.004 0.000 0.141 33 S C -0.806 174.017 174.600 0.371 0.000 1.109 33 S CA -0.546 57.739 58.200 0.142 0.000 1.106 33 S CB 0.264 63.524 63.200 0.099 0.000 1.637 33 S HN 0.324 nan 8.310 nan 0.000 0.457 34 H N 1.418 120.561 119.070 0.120 0.000 3.204 34 H HA 0.075 4.633 4.556 0.004 0.000 0.240 34 H C -0.619 174.760 175.328 0.084 0.000 1.259 34 H CA -0.358 55.785 56.048 0.157 0.000 0.991 34 H CB 0.371 30.316 29.762 0.305 0.000 2.583 34 H HN 0.695 nan 8.280 nan 0.000 0.638 35 D N 0.861 121.336 120.400 0.125 0.000 2.755 35 D HA -0.247 4.395 4.640 0.004 0.000 0.227 35 D C 0.156 176.468 176.300 0.019 0.000 1.211 35 D CA 1.289 55.320 54.000 0.052 0.000 0.663 35 D CB -0.849 39.972 40.800 0.035 0.000 0.983 35 D HN 0.600 nan 8.370 nan 0.000 0.407 36 D N -0.569 119.831 120.400 0.001 0.000 3.691 36 D HA -0.038 4.604 4.640 0.004 0.000 0.377 36 D C -0.953 175.304 176.300 -0.070 0.000 0.761 36 D CA -0.324 53.651 54.000 -0.043 0.000 0.869 36 D CB 0.129 40.887 40.800 -0.071 0.000 1.713 36 D HN 0.290 nan 8.370 nan 0.000 0.229 37 I N 2.903 123.452 120.570 -0.035 0.000 2.503 37 I HA 0.163 4.335 4.170 0.004 0.000 0.282 37 I C 0.876 176.979 176.117 -0.024 0.000 1.059 37 I CA -0.295 60.983 61.300 -0.035 0.000 1.081 37 I CB 1.033 39.032 38.000 -0.002 0.000 1.210 37 I HN -0.096 nan 8.210 nan 0.000 0.450 38 T N 1.019 115.551 114.554 -0.037 0.000 2.754 38 T HA 0.135 4.487 4.350 0.004 0.000 0.286 38 T C 1.129 175.793 174.700 -0.060 0.000 0.997 38 T CA -0.296 61.778 62.100 -0.045 0.000 0.982 38 T CB 1.486 70.325 68.868 -0.048 0.000 1.027 38 T HN 0.518 nan 8.240 nan 0.000 0.529 39 E N 0.704 120.850 120.200 -0.090 0.000 2.339 39 E HA -0.053 4.299 4.350 0.004 0.000 0.201 39 E C 1.553 178.019 176.600 -0.225 0.000 1.015 39 E CA 1.762 58.061 56.400 -0.167 0.000 0.841 39 E CB -0.949 28.644 29.700 -0.178 0.000 0.754 39 E HN 0.800 nan 8.360 nan 0.000 0.508 40 G N -0.531 108.190 108.800 -0.133 0.000 2.549 40 G HA2 -0.063 3.899 3.960 0.004 0.000 0.219 40 G HA3 -0.063 3.899 3.960 0.004 0.000 0.219 40 G C 0.945 175.813 174.900 -0.052 0.000 1.677 40 G CA 0.410 45.442 45.100 -0.113 0.000 0.929 40 G HN 0.243 nan 8.290 nan 0.000 0.549 41 R N -0.533 119.940 120.500 -0.046 0.000 2.667 41 R HA -0.333 4.009 4.340 0.004 0.000 0.139 41 R C 2.546 178.832 176.300 -0.023 0.000 0.581 41 R CA 2.602 58.677 56.100 -0.042 0.000 0.270 41 R CB -1.202 29.065 30.300 -0.056 0.000 0.607 41 R HN 0.484 nan 8.270 nan 0.000 0.249 42 L N -2.644 118.591 121.223 0.021 0.000 2.102 42 L HA -0.012 4.330 4.340 0.004 0.000 0.202 42 L C 2.099 178.958 176.870 -0.019 0.000 1.076 42 L CA 1.271 56.133 54.840 0.037 0.000 0.761 42 L CB -0.699 41.410 42.059 0.083 0.000 0.921 42 L HN 0.194 nan 8.230 nan 0.000 0.444 43 Y N 0.770 120.929 120.300 -0.236 0.000 2.114 43 Y HA -0.337 4.215 4.550 0.003 0.000 0.282 43 Y C 3.099 178.716 175.900 -0.471 0.000 1.165 43 Y CA 2.121 59.953 58.100 -0.445 0.000 1.148 43 Y CB -0.417 37.657 38.460 -0.643 0.000 0.972 43 Y HN 0.442 nan 8.280 nan 0.000 0.504 44 Q N 0.838 120.549 119.800 -0.149 0.000 2.062 44 Q HA -0.290 4.052 4.340 0.004 0.000 0.209 44 Q C 1.802 177.795 176.000 -0.012 0.000 0.996 44 Q CA 1.930 57.708 55.803 -0.042 0.000 0.859 44 Q CB -0.377 28.349 28.738 -0.021 0.000 0.920 44 Q HN 0.493 nan 8.270 nan 0.000 0.415 45 N N 0.731 119.407 118.700 -0.040 0.000 1.997 45 N HA -0.192 4.550 4.740 0.004 0.000 0.198 45 N C 2.160 177.620 175.510 -0.084 0.000 1.063 45 N CA 2.003 55.031 53.050 -0.038 0.000 0.860 45 N CB -0.681 37.804 38.487 -0.004 0.000 1.063 45 N HN 0.384 nan 8.380 nan 0.000 0.424 46 I N 0.542 121.029 120.570 -0.139 0.000 2.121 46 I HA -0.363 3.809 4.170 0.004 0.000 0.243 46 I C 2.233 178.164 176.117 -0.311 0.000 1.047 46 I CA 1.304 62.486 61.300 -0.197 0.000 1.308 46 I CB -0.712 37.164 38.000 -0.207 0.000 1.015 46 I HN 0.094 nan 8.210 nan 0.000 0.410 47 F N 1.273 120.937 119.950 -0.476 0.000 2.052 47 F HA -0.439 4.090 4.527 0.004 0.000 0.297 47 F C 2.755 178.011 175.800 -0.906 0.000 1.166 47 F CA 1.839 59.389 58.000 -0.751 0.000 1.218 47 F CB -0.286 38.456 39.000 -0.431 0.000 0.943 47 F HN 0.120 nan 8.300 nan 0.000 0.521 48 A N -0.074 122.620 122.820 -0.209 0.000 1.873 48 A HA -0.330 3.992 4.320 0.004 0.000 0.218 48 A C 2.190 179.716 177.584 -0.097 0.000 1.193 48 A CA 2.808 54.791 52.037 -0.090 0.000 0.629 48 A CB -1.561 17.457 19.000 0.031 0.000 0.826 48 A HN 0.643 nan 8.150 nan 0.000 0.447 49 S N 0.967 116.596 115.700 -0.119 0.000 2.404 49 S HA -0.347 4.126 4.470 0.004 0.000 0.230 49 S C 1.750 176.309 174.600 -0.068 0.000 1.046 49 S CA 2.062 60.201 58.200 -0.101 0.000 1.135 49 S CB -1.065 62.050 63.200 -0.143 0.000 1.056 49 S HN 1.058 nan 8.310 nan 0.000 0.426 50 H N 0.633 119.604 119.070 -0.166 0.000 2.555 50 H HA 0.415 4.974 4.556 0.004 0.000 0.283 50 H C 0.533 175.798 175.328 -0.107 0.000 1.037 50 H CA -0.444 55.516 56.048 -0.147 0.000 1.169 50 H CB -0.698 28.968 29.762 -0.160 0.000 1.375 50 H HN 0.394 nan 8.280 nan 0.000 0.582 51 F N 0.592 120.580 119.950 0.063 0.000 2.183 51 F HA 0.297 4.826 4.527 0.004 0.000 0.270 51 F C 2.742 178.529 175.800 -0.020 0.000 1.251 51 F CA 0.785 58.797 58.000 0.020 0.000 1.078 51 F CB -1.059 37.923 39.000 -0.030 0.000 0.998 51 F HN 0.345 nan 8.300 nan 0.000 0.526 52 G N 0.349 109.283 108.800 0.223 0.000 3.517 52 G HA2 -0.483 3.479 3.960 0.004 0.000 0.372 52 G HA3 -0.483 3.479 3.960 0.004 0.000 0.372 52 G C 1.543 176.458 174.900 0.025 0.000 1.874 52 G CA 1.603 46.753 45.100 0.084 0.000 2.017 52 G HN 0.592 nan 8.290 nan 0.000 0.877 53 Q N 1.212 121.009 119.800 -0.004 0.000 2.119 53 Q HA 0.070 4.412 4.340 0.004 0.000 0.201 53 Q C 2.783 178.720 176.000 -0.106 0.000 0.972 53 Q CA 1.781 57.549 55.803 -0.059 0.000 0.847 53 Q CB -0.568 28.119 28.738 -0.085 0.000 0.903 53 Q HN 0.694 nan 8.270 nan 0.000 0.433 54 L N 0.906 122.059 121.223 -0.117 0.000 2.256 54 L HA -0.298 4.044 4.340 0.004 0.000 0.218 54 L C 2.570 179.234 176.870 -0.342 0.000 1.089 54 L CA 1.520 56.184 54.840 -0.293 0.000 0.777 54 L CB -0.879 41.046 42.059 -0.223 0.000 0.890 54 L HN 0.380 nan 8.230 nan 0.000 0.439 55 A N 0.668 123.415 122.820 -0.123 0.000 1.835 55 A HA -0.193 4.129 4.320 0.004 0.000 0.215 55 A C 2.032 179.646 177.584 0.050 0.000 1.199 55 A CA 1.890 53.915 52.037 -0.021 0.000 0.615 55 A CB -0.556 18.442 19.000 -0.004 0.000 0.838 55 A HN 0.408 nan 8.150 nan 0.000 0.444 56 I N -0.138 120.437 120.570 0.009 0.000 2.353 56 I HA -0.138 4.034 4.170 0.004 0.000 0.248 56 I C 2.139 178.311 176.117 0.093 0.000 1.119 56 I CA 0.932 62.257 61.300 0.042 0.000 1.417 56 I CB -0.538 37.454 38.000 -0.014 0.000 1.078 56 I HN 0.259 nan 8.210 nan 0.000 0.421 57 I N 0.715 121.276 120.570 -0.016 0.000 2.185 57 I HA -0.338 3.834 4.170 0.004 0.000 0.246 57 I C 2.468 178.865 176.117 0.467 0.000 1.088 57 I CA 1.982 63.315 61.300 0.055 0.000 1.347 57 I CB -0.660 37.282 38.000 -0.095 0.000 1.041 57 I HN 0.161 nan 8.210 nan 0.000 0.415 58 F N 0.006 120.028 119.950 0.121 0.000 2.259 58 F HA -0.080 4.449 4.527 0.004 0.000 0.298 58 F C 2.130 177.992 175.800 0.102 0.000 1.088 58 F CA 0.312 58.380 58.000 0.113 0.000 1.358 58 F CB 0.192 39.221 39.000 0.049 0.000 1.040 58 F HN 0.063 nan 8.300 nan 0.000 0.505 59 L N -0.579 120.808 121.223 0.275 0.000 2.653 59 L HA -0.068 4.274 4.340 0.004 0.000 0.232 59 L C 1.191 178.199 176.870 0.230 0.000 1.169 59 L CA -0.110 54.832 54.840 0.169 0.000 0.951 59 L CB -0.228 41.890 42.059 0.098 0.000 1.181 59 L HN 0.288 nan 8.230 nan 0.000 0.460 60 W N -0.507 120.830 121.300 0.061 0.000 2.905 60 W HA -0.009 4.653 4.660 0.004 0.000 0.251 60 W C 1.733 178.257 176.519 0.009 0.000 1.305 60 W CA 1.138 58.503 57.345 0.033 0.000 1.465 60 W CB 0.389 29.878 29.460 0.047 0.000 1.122 60 W HN 0.139 nan 8.180 nan 0.000 0.659 61 T N -3.421 111.195 114.554 0.104 0.000 3.367 61 T HA -0.042 4.310 4.350 0.004 0.000 0.273 61 T C 1.744 176.408 174.700 -0.059 0.000 0.879 61 T CA 0.784 62.837 62.100 -0.079 0.000 0.952 61 T CB -0.863 67.933 68.868 -0.120 0.000 1.236 61 T HN -0.213 nan 8.240 nan 0.000 0.532 62 S N 0.486 116.189 115.700 0.006 0.000 2.423 62 S HA 0.016 4.488 4.470 0.004 0.000 0.238 62 S C 1.657 176.294 174.600 0.062 0.000 1.028 62 S CA 2.365 60.574 58.200 0.015 0.000 1.000 62 S CB -0.908 62.299 63.200 0.012 0.000 0.797 62 S HN 0.712 nan 8.310 nan 0.000 0.487 63 G N 1.928 110.764 108.800 0.061 0.000 2.751 63 G HA2 -0.065 3.897 3.960 0.004 0.000 0.187 63 G HA3 -0.065 3.897 3.960 0.004 0.000 0.187 63 G C 0.909 175.918 174.900 0.183 0.000 1.733 63 G CA 0.561 45.743 45.100 0.136 0.000 0.898 63 G HN 0.595 nan 8.290 nan 0.000 0.408 64 N N 0.388 119.129 118.700 0.068 0.000 2.403 64 N HA -0.268 4.474 4.740 0.004 0.000 0.197 64 N C 1.779 177.377 175.510 0.145 0.000 0.865 64 N CA 1.902 55.027 53.050 0.124 0.000 0.965 64 N CB -0.901 37.562 38.487 -0.041 0.000 1.052 64 N HN 0.311 nan 8.380 nan 0.000 0.792 65 L N 0.013 121.212 121.223 -0.040 0.000 1.899 65 L HA -0.024 4.318 4.340 0.004 0.000 0.220 65 L C 2.269 179.241 176.870 0.169 0.000 1.091 65 L CA 1.753 56.536 54.840 -0.096 0.000 0.781 65 L CB -1.148 40.688 42.059 -0.372 0.000 0.886 65 L HN 0.150 nan 8.230 nan 0.000 0.430 66 F N -0.434 119.531 119.950 0.024 0.000 2.118 66 F HA -0.450 4.079 4.527 0.004 0.000 0.297 66 F C 2.582 178.452 175.800 0.116 0.000 1.061 66 F CA 2.254 60.281 58.000 0.045 0.000 1.268 66 F CB -0.399 38.600 39.000 -0.001 0.000 1.019 66 F HN 0.360 nan 8.300 nan 0.000 0.492 67 H N -0.111 118.983 119.070 0.039 0.000 2.289 67 H HA -0.096 4.462 4.556 0.004 0.000 0.296 67 H C 0.980 176.337 175.328 0.047 0.000 1.091 67 H CA 1.555 57.635 56.048 0.054 0.000 1.274 67 H CB -0.732 29.134 29.762 0.172 0.000 1.364 67 H HN 0.192 nan 8.280 nan 0.000 0.490 68 V N -1.257 118.744 119.914 0.145 0.000 3.036 68 V HA 0.441 4.563 4.120 0.004 0.000 0.308 68 V C 1.033 177.112 176.094 -0.025 0.000 1.070 68 V CA 0.466 62.801 62.300 0.059 0.000 1.056 68 V CB 0.795 32.674 31.823 0.094 0.000 1.084 68 V HN 0.801 nan 8.190 nan 0.000 0.471 69 A N 2.586 125.386 122.820 -0.034 0.000 3.553 69 A HA -0.229 4.093 4.320 0.004 0.000 0.261 69 A C 0.998 178.637 177.584 0.092 0.000 1.096 69 A CA 1.733 53.740 52.037 -0.050 0.000 1.308 69 A CB -2.506 16.319 19.000 -0.292 0.000 1.084 69 A HN 1.494 nan 8.150 nan 0.000 0.914 70 W N -0.004 121.208 121.300 -0.146 0.000 2.444 70 W HA 0.227 4.890 4.660 0.003 0.000 0.308 70 W C 1.205 177.684 176.519 -0.067 0.000 1.183 70 W CA 2.246 59.517 57.345 -0.122 0.000 1.340 70 W CB -0.217 29.110 29.460 -0.221 0.000 1.138 70 W HN 1.043 nan 8.180 nan 0.000 0.510 71 Q N -0.569 119.232 119.800 0.002 0.000 2.588 71 Q HA -0.159 4.183 4.340 0.004 0.000 0.234 71 Q C 0.153 176.170 176.000 0.028 0.000 1.382 71 Q CA 0.652 56.453 55.803 -0.003 0.000 0.700 71 Q CB -0.867 27.829 28.738 -0.069 0.000 0.808 71 Q HN 0.377 nan 8.270 nan 0.000 0.310 72 G N 3.275 112.093 108.800 0.031 0.000 3.387 72 G HA2 0.305 4.267 3.960 0.004 0.000 0.195 72 G HA3 0.305 4.267 3.960 0.004 0.000 0.195 72 G C 0.019 174.970 174.900 0.086 0.000 1.853 72 G CA 0.341 45.464 45.100 0.038 0.000 0.879 72 G HN 0.806 nan 8.290 nan 0.000 0.651 73 N N -0.913 117.876 118.700 0.149 0.000 2.672 73 N HA 0.263 5.005 4.740 0.004 0.000 0.295 73 N C -0.116 175.601 175.510 0.346 0.000 1.924 73 N CA -0.574 52.591 53.050 0.192 0.000 0.851 73 N CB 0.481 39.047 38.487 0.132 0.000 1.281 73 N HN 0.223 nan 8.380 nan 0.000 0.494 74 F N 1.072 121.122 119.950 0.167 0.000 2.123 74 F HA 0.222 4.751 4.527 0.004 0.000 0.289 74 F C 2.162 178.128 175.800 0.277 0.000 1.099 74 F CA 1.106 59.258 58.000 0.253 0.000 1.234 74 F CB 0.129 39.037 39.000 -0.153 0.000 1.034 74 F HN 0.307 nan 8.300 nan 0.000 0.479 75 E N 0.194 120.587 120.200 0.323 0.000 2.233 75 E HA -0.281 4.071 4.350 0.004 0.000 0.199 75 E C 1.968 178.639 176.600 0.119 0.000 1.004 75 E CA 1.065 57.578 56.400 0.187 0.000 0.819 75 E CB -0.164 29.642 29.700 0.177 0.000 0.738 75 E HN 0.494 nan 8.360 nan 0.000 0.478 76 A N 0.530 123.439 122.820 0.148 0.000 1.850 76 A HA -0.136 4.186 4.320 0.004 0.000 0.212 76 A C 1.793 179.429 177.584 0.087 0.000 1.208 76 A CA 0.887 52.987 52.037 0.105 0.000 0.609 76 A CB -1.321 17.747 19.000 0.113 0.000 0.860 76 A HN 0.626 nan 8.150 nan 0.000 0.448 77 W N 0.652 121.927 121.300 -0.041 0.000 2.560 77 W HA -0.081 4.581 4.660 0.004 0.000 0.252 77 W C 1.533 177.974 176.519 -0.129 0.000 1.242 77 W CA 1.240 58.544 57.345 -0.068 0.000 1.242 77 W CB -0.080 29.390 29.460 0.017 0.000 1.136 77 W HN 0.160 nan 8.180 nan 0.000 0.625 78 V N 2.712 122.362 119.914 -0.441 0.000 2.332 78 V HA -0.368 3.755 4.120 0.004 0.000 0.248 78 V C 2.827 178.641 176.094 -0.466 0.000 1.055 78 V CA 2.827 64.765 62.300 -0.602 0.000 1.038 78 V CB -0.663 30.987 31.823 -0.287 0.000 0.651 78 V HN 0.539 nan 8.190 nan 0.000 0.450 79 Q N 1.641 121.265 119.800 -0.294 0.000 2.297 79 Q HA -0.117 4.225 4.340 0.004 0.000 0.208 79 Q C -0.331 175.534 176.000 -0.225 0.000 0.981 79 Q CA 2.042 57.725 55.803 -0.200 0.000 0.876 79 Q CB -0.712 27.954 28.738 -0.120 0.000 0.921 79 Q HN 0.958 nan 8.270 nan 0.000 0.446 80 D N -1.485 118.691 120.400 -0.374 0.000 2.414 80 D HA 0.198 4.841 4.640 0.004 0.000 0.187 80 D C -2.923 173.075 176.300 -0.503 0.000 1.255 80 D CA -1.166 52.643 54.000 -0.320 0.000 0.825 80 D CB 0.869 41.540 40.800 -0.215 0.000 1.912 80 D HN -0.058 nan 8.370 nan 0.000 0.530 81 P HA 0.323 nan 4.420 nan 0.000 0.253 81 P C -0.523 177.122 177.300 0.576 0.000 1.872 81 P CA -0.517 62.599 63.100 0.028 0.000 1.148 81 P CB -0.639 31.123 31.700 0.104 0.000 1.753 82 F N -4.395 115.744 119.950 0.315 0.000 3.106 82 F HA 0.283 4.812 4.527 0.004 0.000 0.390 82 F C 1.546 177.405 175.800 0.097 0.000 1.093 82 F CA -0.428 57.668 58.000 0.160 0.000 0.996 82 F CB -0.559 38.413 39.000 -0.047 0.000 1.408 82 F HN -0.127 nan 8.300 nan 0.000 0.528 83 H N 1.743 120.752 119.070 -0.101 0.000 2.419 83 H HA 0.146 4.704 4.556 0.004 0.000 0.297 83 H C 0.213 175.596 175.328 0.093 0.000 1.044 83 H CA 2.711 58.758 56.048 -0.002 0.000 1.178 83 H CB 0.045 29.745 29.762 -0.104 0.000 1.407 83 H HN 0.173 nan 8.280 nan 0.000 0.574 84 V N -0.858 119.199 119.914 0.238 0.000 3.101 84 V HA 0.289 4.411 4.120 0.004 0.000 0.311 84 V C -0.574 175.620 176.094 0.165 0.000 1.536 84 V CA -0.775 61.663 62.300 0.230 0.000 1.004 84 V CB 2.131 33.982 31.823 0.046 0.000 1.040 84 V HN 0.415 nan 8.190 nan 0.000 0.480 85 R N 0.793 121.297 120.500 0.008 0.000 2.718 85 R HA 0.286 4.628 4.340 0.004 0.000 0.307 85 R C -2.812 173.353 176.300 -0.225 0.000 1.244 85 R CA -1.533 54.542 56.100 -0.040 0.000 1.348 85 R CB 0.398 30.707 30.300 0.015 0.000 1.304 85 R HN 0.398 nan 8.270 nan 0.000 0.663 86 P HA -0.162 nan 4.420 nan 0.000 0.261 86 P C 0.003 177.022 177.300 -0.469 0.000 1.133 86 P CA 0.886 63.663 63.100 -0.538 0.000 0.756 86 P CB 0.536 31.894 31.700 -0.569 0.000 0.726 87 I N 1.957 122.286 120.570 -0.402 0.000 2.330 87 I HA 0.439 4.611 4.170 0.004 0.000 0.289 87 I C 0.853 176.885 176.117 -0.142 0.000 1.001 87 I CA -0.585 60.582 61.300 -0.222 0.000 1.193 87 I CB 1.624 39.533 38.000 -0.151 0.000 1.345 87 I HN 0.376 nan 8.210 nan 0.000 0.461 88 A N 5.609 128.342 122.820 -0.145 0.000 2.172 88 A HA 0.029 4.351 4.320 0.004 0.000 0.215 88 A C 1.385 178.953 177.584 -0.027 0.000 1.610 88 A CA 1.642 53.614 52.037 -0.109 0.000 0.606 88 A CB -0.585 18.264 19.000 -0.251 0.000 1.182 88 A HN 0.942 nan 8.150 nan 0.000 0.499 89 H N -3.380 115.711 119.070 0.035 0.000 2.381 89 H HA 0.634 5.192 4.556 0.004 0.000 0.252 89 H C 0.207 175.479 175.328 -0.093 0.000 0.920 89 H CA 0.296 56.348 56.048 0.007 0.000 1.100 89 H CB -0.076 30.006 29.762 0.533 0.000 1.435 89 H HN 1.577 nan 8.280 nan 0.000 0.454 90 A N 0.134 123.088 122.820 0.224 0.000 2.428 90 A HA 0.201 4.523 4.320 0.004 0.000 0.684 90 A C -1.598 176.066 177.584 0.134 0.000 0.138 90 A CA -0.263 51.822 52.037 0.081 0.000 0.038 90 A CB -1.890 17.090 19.000 -0.034 0.000 3.962 90 A HN 0.268 nan 8.150 nan 0.000 0.547 91 I N 3.321 123.903 120.570 0.019 0.000 2.460 91 I HA 0.227 4.399 4.170 0.004 0.000 0.277 91 I C 0.315 176.374 176.117 -0.096 0.000 1.057 91 I CA -0.012 61.245 61.300 -0.072 0.000 1.179 91 I CB 1.193 39.025 38.000 -0.280 0.000 1.329 91 I HN 0.745 nan 8.210 nan 0.000 0.478 92 W N 6.846 128.036 121.300 -0.184 0.000 1.371 92 W HA 0.155 4.817 4.660 0.004 0.000 0.482 92 W C -0.383 176.024 176.519 -0.186 0.000 0.640 92 W CA -0.205 57.044 57.345 -0.160 0.000 2.164 92 W CB 0.328 29.731 29.460 -0.095 0.000 1.613 92 W HN 0.429 nan 8.180 nan 0.000 0.212 93 D N 4.482 124.538 120.400 -0.573 0.000 2.479 93 D HA 0.211 4.853 4.640 0.004 0.000 0.247 93 D C -1.820 174.148 176.300 -0.554 0.000 1.119 93 D CA -2.362 51.299 54.000 -0.565 0.000 0.922 93 D CB 1.241 41.733 40.800 -0.514 0.000 1.014 93 D HN 0.081 nan 8.370 nan 0.000 0.510 94 P HA -0.015 nan 4.420 nan 0.000 0.242 94 P C 0.227 177.393 177.300 -0.223 0.000 1.198 94 P CA 0.796 63.522 63.100 -0.622 0.000 0.756 94 P CB -0.048 31.238 31.700 -0.689 0.000 0.911 95 H N -3.012 116.005 119.070 -0.088 0.000 2.592 95 H HA 0.172 4.730 4.556 0.004 0.000 0.265 95 H C 0.290 175.605 175.328 -0.021 0.000 0.955 95 H CA -0.498 55.516 56.048 -0.056 0.000 1.175 95 H CB -0.007 29.695 29.762 -0.100 0.000 1.433 95 H HN 0.138 nan 8.280 nan 0.000 0.537 96 F N 1.990 121.894 119.950 -0.077 0.000 2.445 96 F HA 0.182 4.711 4.527 0.004 0.000 0.359 96 F C 1.350 177.130 175.800 -0.034 0.000 1.101 96 F CA -0.804 57.162 58.000 -0.056 0.000 1.177 96 F CB 0.900 39.856 39.000 -0.074 0.000 1.110 96 F HN 0.074 nan 8.300 nan 0.000 0.522 97 G N 2.867 111.701 108.800 0.057 0.000 2.398 97 G HA2 0.042 4.004 3.960 0.004 0.000 0.246 97 G HA3 0.042 4.004 3.960 0.004 0.000 0.246 97 G C 0.694 175.638 174.900 0.072 0.000 1.289 97 G CA -0.436 44.682 45.100 0.031 0.000 0.869 97 G HN 0.731 nan 8.290 nan 0.000 0.543 98 Q N 2.525 122.357 119.800 0.052 0.000 2.188 98 Q HA -0.210 4.133 4.340 0.004 0.000 0.217 98 Q C -0.149 175.895 176.000 0.072 0.000 1.018 98 Q CA 2.466 58.303 55.803 0.057 0.000 0.910 98 Q CB -1.199 27.561 28.738 0.036 0.000 0.979 98 Q HN 0.485 nan 8.270 nan 0.000 0.413 99 P HA -0.184 nan 4.420 nan 0.000 0.274 99 P C 0.150 177.540 177.300 0.148 0.000 1.315 99 P CA 1.162 64.311 63.100 0.081 0.000 0.750 99 P CB -0.825 30.909 31.700 0.057 0.000 1.153 100 A N 0.242 123.167 122.820 0.175 0.000 1.917 100 A HA -0.213 4.109 4.320 0.004 0.000 0.219 100 A C 2.275 179.970 177.584 0.185 0.000 1.182 100 A CA 2.233 54.404 52.037 0.223 0.000 0.633 100 A CB -1.594 17.493 19.000 0.145 0.000 0.819 100 A HN 0.247 nan 8.150 nan 0.000 0.448 101 V N -1.856 118.128 119.914 0.116 0.000 2.223 101 V HA -0.324 3.799 4.120 0.004 0.000 0.246 101 V C 2.118 178.264 176.094 0.087 0.000 1.045 101 V CA 2.451 64.802 62.300 0.086 0.000 1.004 101 V CB -1.331 30.525 31.823 0.056 0.000 0.641 101 V HN 0.499 nan 8.190 nan 0.000 0.457 102 E N 1.078 121.318 120.200 0.067 0.000 2.333 102 E HA -0.164 4.188 4.350 0.004 0.000 0.200 102 E C 1.799 178.419 176.600 0.033 0.000 1.010 102 E CA 1.456 57.880 56.400 0.040 0.000 0.841 102 E CB -0.516 29.202 29.700 0.030 0.000 0.757 102 E HN 0.808 nan 8.360 nan 0.000 0.508 103 A N -0.030 122.871 122.820 0.134 0.000 2.773 103 A HA 0.026 4.348 4.320 0.004 0.000 0.185 103 A C 0.981 178.609 177.584 0.074 0.000 1.559 103 A CA 1.009 53.186 52.037 0.234 0.000 0.663 103 A CB -0.551 18.904 19.000 0.757 0.000 1.098 103 A HN 0.194 nan 8.150 nan 0.000 0.495 104 F N 0.012 120.008 119.950 0.078 0.000 2.735 104 F HA 0.219 4.748 4.527 0.003 0.000 0.308 104 F C 0.850 176.666 175.800 0.028 0.000 1.112 104 F CA -0.454 57.580 58.000 0.058 0.000 1.235 104 F CB -0.987 38.043 39.000 0.049 0.000 1.027 104 F HN 0.031 nan 8.300 nan 0.000 0.528 105 T N 1.684 116.345 114.554 0.177 0.000 3.590 105 T HA -0.044 4.308 4.350 0.004 0.000 0.215 105 T C 0.964 175.705 174.700 0.067 0.000 0.755 105 T CA 0.400 62.556 62.100 0.094 0.000 3.055 105 T CB -0.613 68.295 68.868 0.066 0.000 1.025 105 T HN 0.021 nan 8.240 nan 0.000 0.418 106 R N 0.666 121.214 120.500 0.079 0.000 2.751 106 R HA 0.723 5.066 4.340 0.004 0.000 0.217 106 R C 2.020 178.330 176.300 0.015 0.000 1.436 106 R CA 0.075 56.206 56.100 0.052 0.000 1.006 106 R CB -0.953 29.399 30.300 0.087 0.000 2.065 106 R HN 0.338 nan 8.270 nan 0.000 0.525 107 G N -0.151 108.648 108.800 -0.003 0.000 3.725 107 G HA2 -0.373 3.589 3.960 0.004 0.000 0.331 107 G HA3 -0.373 3.589 3.960 0.004 0.000 0.331 107 G C 1.122 176.009 174.900 -0.021 0.000 0.871 107 G CA 1.413 46.496 45.100 -0.029 0.000 0.725 107 G HN 0.597 nan 8.290 nan 0.000 1.346 108 G N -0.045 108.749 108.800 -0.011 0.000 2.683 108 G HA2 0.443 4.405 3.960 0.004 0.000 0.213 108 G HA3 0.443 4.405 3.960 0.004 0.000 0.213 108 G C 1.572 176.469 174.900 -0.004 0.000 1.142 108 G CA 1.646 46.747 45.100 0.001 0.000 0.793 108 G HN 1.588 nan 8.290 nan 0.000 0.534 109 A N 0.252 123.068 122.820 -0.006 0.000 3.292 109 A HA -0.133 4.189 4.320 0.004 0.000 0.859 109 A C 1.525 179.099 177.584 -0.016 0.000 1.061 109 A CA 2.155 54.187 52.037 -0.008 0.000 2.910 109 A CB -0.860 18.151 19.000 0.017 0.000 1.486 109 A HN 1.256 nan 8.150 nan 0.000 0.898 110 L N -4.623 116.597 121.223 -0.005 0.000 2.524 110 L HA 0.039 4.381 4.340 0.004 0.000 0.469 110 L C 0.361 177.225 176.870 -0.011 0.000 0.756 110 L CA 1.450 56.284 54.840 -0.011 0.000 2.444 110 L CB -1.303 40.738 42.059 -0.030 0.000 1.151 110 L HN 2.113 nan 8.230 nan 0.000 0.566 111 G N -1.526 107.270 108.800 -0.006 0.000 2.703 111 G HA2 0.592 4.554 3.960 0.004 0.000 0.294 111 G HA3 0.592 4.554 3.960 0.004 0.000 0.294 111 G C -2.790 172.114 174.900 0.006 0.000 1.451 111 G CA -0.206 44.891 45.100 -0.006 0.000 0.869 111 G HN -0.239 nan 8.290 nan 0.000 0.516 112 P HA 0.028 nan 4.420 nan 0.000 0.301 112 P C 1.019 178.276 177.300 -0.071 0.000 1.560 112 P CA 0.003 63.102 63.100 -0.000 0.000 0.784 112 P CB -0.062 31.483 31.700 -0.259 0.000 1.715 113 V N 0.854 120.769 119.914 0.002 0.000 2.975 113 V HA -0.113 4.010 4.120 0.004 0.000 0.300 113 V C 0.779 176.885 176.094 0.020 0.000 1.186 113 V CA 0.207 62.499 62.300 -0.014 0.000 1.311 113 V CB -0.211 31.602 31.823 -0.016 0.000 0.917 113 V HN 0.270 nan 8.190 nan 0.000 0.512 114 N N 4.085 122.733 118.700 -0.086 0.000 2.508 114 N HA 0.063 4.806 4.740 0.004 0.000 0.264 114 N C -0.208 175.277 175.510 -0.042 0.000 1.216 114 N CA -0.033 52.967 53.050 -0.083 0.000 0.943 114 N CB 0.298 38.538 38.487 -0.413 0.000 1.113 114 N HN 0.787 nan 8.380 nan 0.000 0.447 115 N N 0.984 119.735 118.700 0.085 0.000 2.555 115 N HA 0.166 4.908 4.740 0.004 0.000 0.244 115 N C -0.565 174.719 175.510 -0.378 0.000 1.114 115 N CA -0.544 52.465 53.050 -0.070 0.000 0.963 115 N CB 0.334 38.917 38.487 0.161 0.000 1.276 115 N HN 0.525 nan 8.380 nan 0.000 0.510 116 A N 3.016 125.600 122.820 -0.393 0.000 2.565 116 A HA 0.006 4.329 4.320 0.004 0.000 0.237 116 A C -0.436 176.747 177.584 -0.668 0.000 1.053 116 A CA 0.680 52.503 52.037 -0.358 0.000 0.755 116 A CB -0.030 18.838 19.000 -0.220 0.000 0.980 116 A HN 0.892 nan 8.150 nan 0.000 0.506 117 Y N 0.824 121.126 120.300 0.003 0.000 2.791 117 Y HA 0.135 4.687 4.550 0.004 0.000 0.263 117 Y C 1.957 177.868 175.900 0.018 0.000 1.089 117 Y CA 0.398 58.500 58.100 0.004 0.000 1.253 117 Y CB 0.479 38.956 38.460 0.029 0.000 1.360 117 Y HN 0.618 nan 8.280 nan 0.000 0.569 118 S N -0.063 115.701 115.700 0.106 0.000 2.660 118 S HA 0.168 4.641 4.470 0.004 0.000 0.228 118 S C 1.919 176.540 174.600 0.035 0.000 0.966 118 S CA 1.191 59.437 58.200 0.076 0.000 0.940 118 S CB -0.717 62.503 63.200 0.032 0.000 0.773 118 S HN 0.849 nan 8.310 nan 0.000 0.535 119 G N 0.460 109.287 108.800 0.045 0.000 5.359 119 G HA2 -0.437 3.525 3.960 0.004 0.000 0.333 119 G HA3 -0.437 3.525 3.960 0.004 0.000 0.333 119 G C 1.011 175.920 174.900 0.015 0.000 1.365 119 G CA 0.554 45.677 45.100 0.039 0.000 1.008 119 G HN 0.885 nan 8.290 nan 0.000 0.816 120 V N -0.064 119.845 119.914 -0.008 0.000 2.547 120 V HA -0.479 3.643 4.120 0.004 0.000 0.181 120 V C 2.104 178.390 176.094 0.320 0.000 1.064 120 V CA 3.697 66.041 62.300 0.072 0.000 1.227 120 V CB -1.386 30.413 31.823 -0.039 0.000 1.149 120 V HN 1.125 nan 8.190 nan 0.000 0.486 121 Y N 0.611 120.941 120.300 0.050 0.000 2.465 121 Y HA -0.337 4.215 4.550 0.004 0.000 0.277 121 Y C 2.345 178.102 175.900 -0.240 0.000 1.190 121 Y CA 2.248 60.167 58.100 -0.303 0.000 1.385 121 Y CB 0.113 38.366 38.460 -0.345 0.000 0.966 121 Y HN 0.581 nan 8.280 nan 0.000 0.579 122 Q N -1.493 118.297 119.800 -0.017 0.000 2.389 122 Q HA -0.157 4.185 4.340 0.004 0.000 0.201 122 Q C 2.090 177.979 176.000 -0.184 0.000 0.956 122 Q CA 0.737 56.467 55.803 -0.121 0.000 0.871 122 Q CB -1.528 27.088 28.738 -0.204 0.000 0.990 122 Q HN 0.656 nan 8.270 nan 0.000 0.554 123 W N 3.161 123.915 121.300 -0.910 0.000 2.285 123 W HA -0.182 4.480 4.660 0.003 0.000 0.290 123 W C -0.104 176.484 176.519 0.115 0.000 1.217 123 W CA 1.503 58.639 57.345 -0.348 0.000 1.207 123 W CB -0.080 29.245 29.460 -0.224 0.000 1.136 123 W HN 0.294 nan 8.180 nan 0.000 0.546 124 W N 1.215 122.608 121.300 0.155 0.000 2.347 124 W HA 0.427 5.089 4.660 0.004 0.000 0.321 124 W C -0.574 176.012 176.519 0.111 0.000 0.971 124 W CA -1.704 55.677 57.345 0.060 0.000 1.508 124 W CB -1.704 27.729 29.460 -0.044 0.000 1.299 124 W HN 0.186 nan 8.180 nan 0.000 0.399 125 Y N 1.369 121.794 120.300 0.208 0.000 2.782 125 Y HA -0.125 4.427 4.550 0.004 0.000 0.334 125 Y C 1.569 177.642 175.900 0.288 0.000 0.877 125 Y CA 1.558 59.835 58.100 0.296 0.000 0.865 125 Y CB -0.359 38.281 38.460 0.299 0.000 1.371 125 Y HN 0.014 nan 8.280 nan 0.000 0.538 126 T N 2.234 117.034 114.554 0.411 0.000 2.571 126 T HA -0.130 4.222 4.350 0.004 0.000 0.255 126 T C 1.608 176.441 174.700 0.221 0.000 1.100 126 T CA 1.771 64.082 62.100 0.352 0.000 1.199 126 T CB -0.886 68.257 68.868 0.458 0.000 0.870 126 T HN 0.406 nan 8.240 nan 0.000 0.399 127 I N 1.342 122.030 120.570 0.196 0.000 2.161 127 I HA -0.290 3.882 4.170 0.004 0.000 0.246 127 I C 1.619 177.846 176.117 0.184 0.000 1.048 127 I CA 2.230 63.619 61.300 0.149 0.000 1.314 127 I CB -0.453 37.586 38.000 0.065 0.000 1.014 127 I HN 0.573 nan 8.210 nan 0.000 0.418 128 G N -0.989 107.914 108.800 0.171 0.000 3.791 128 G HA2 0.155 4.117 3.960 0.004 0.000 0.117 128 G HA3 0.155 4.117 3.960 0.004 0.000 0.117 128 G C -0.218 174.739 174.900 0.095 0.000 1.177 128 G CA -0.006 45.184 45.100 0.150 0.000 1.242 128 G HN 0.276 nan 8.290 nan 0.000 0.502 129 L N 0.347 121.667 121.223 0.161 0.000 2.514 129 L HA 0.562 4.904 4.340 0.004 0.000 0.280 129 L C 0.876 177.940 176.870 0.323 0.000 1.223 129 L CA 0.368 55.321 54.840 0.189 0.000 0.864 129 L CB 0.715 42.898 42.059 0.206 0.000 1.118 129 L HN 0.519 nan 8.230 nan 0.000 0.494 130 R N 0.226 120.924 120.500 0.329 0.000 2.521 130 R HA 0.167 4.509 4.340 0.004 0.000 0.289 130 R C -0.189 176.352 176.300 0.402 0.000 0.936 130 R CA -0.000 56.403 56.100 0.506 0.000 1.089 130 R CB 0.672 30.998 30.300 0.043 0.000 1.348 130 R HN 0.856 nan 8.270 nan 0.000 0.536 131 T N 1.520 116.247 114.554 0.289 0.000 2.747 131 T HA 0.154 4.506 4.350 0.004 0.000 0.301 131 T C 0.214 175.037 174.700 0.206 0.000 0.952 131 T CA -0.503 61.748 62.100 0.253 0.000 0.983 131 T CB 1.171 70.199 68.868 0.266 0.000 0.930 131 T HN 0.096 nan 8.240 nan 0.000 0.494 132 N N 2.114 120.906 118.700 0.154 0.000 2.494 132 N HA -0.061 4.681 4.740 0.004 0.000 0.182 132 N C 1.615 176.995 175.510 -0.218 0.000 1.076 132 N CA 0.296 53.298 53.050 -0.079 0.000 0.908 132 N CB 0.172 38.575 38.487 -0.141 0.000 0.967 132 N HN 0.606 nan 8.380 nan 0.000 0.449 133 E N 0.179 120.528 120.200 0.247 0.000 2.435 133 E HA -0.025 4.327 4.350 0.004 0.000 0.195 133 E C 0.131 176.993 176.600 0.436 0.000 1.029 133 E CA 0.587 57.371 56.400 0.640 0.000 0.865 133 E CB 0.078 30.036 29.700 0.430 0.000 0.833 133 E HN 0.413 nan 8.360 nan 0.000 0.510 134 D N 0.442 121.003 120.400 0.270 0.000 2.369 134 D HA 0.120 4.762 4.640 0.004 0.000 0.211 134 D C 1.233 177.645 176.300 0.186 0.000 1.077 134 D CA -0.136 54.004 54.000 0.233 0.000 0.842 134 D CB 0.923 41.855 40.800 0.221 0.000 0.947 134 D HN 0.127 nan 8.370 nan 0.000 0.509 135 L N -0.535 120.754 121.223 0.110 0.000 2.699 135 L HA -0.013 4.329 4.340 0.004 0.000 0.146 135 L C 0.833 177.770 176.870 0.111 0.000 1.639 135 L CA 0.197 55.079 54.840 0.071 0.000 2.637 135 L CB -0.053 42.004 42.059 -0.004 0.000 2.909 135 L HN 0.070 nan 8.230 nan 0.000 0.694 136 Y N -1.781 118.611 120.300 0.153 0.000 4.506 136 Y HA -0.400 4.152 4.550 0.004 0.000 0.297 136 Y C 1.841 177.828 175.900 0.144 0.000 1.022 136 Y CA 1.292 59.483 58.100 0.150 0.000 2.099 136 Y CB -2.183 36.351 38.460 0.124 0.000 1.169 136 Y HN 0.681 nan 8.280 nan 0.000 0.483 137 T N -4.456 110.234 114.554 0.227 0.000 3.071 137 T HA 0.236 4.588 4.350 0.004 0.000 0.239 137 T C 2.148 176.924 174.700 0.128 0.000 0.997 137 T CA 0.533 62.735 62.100 0.171 0.000 1.134 137 T CB -0.825 68.138 68.868 0.158 0.000 0.928 137 T HN 0.401 nan 8.240 nan 0.000 0.453 138 G N 1.873 110.714 108.800 0.069 0.000 2.475 138 G HA2 -0.037 3.925 3.960 0.004 0.000 0.220 138 G HA3 -0.037 3.925 3.960 0.004 0.000 0.220 138 G C 1.674 176.612 174.900 0.064 0.000 1.125 138 G CA 1.151 46.256 45.100 0.008 0.000 0.755 138 G HN 0.742 nan 8.290 nan 0.000 0.565 139 A N 1.222 124.085 122.820 0.070 0.000 1.844 139 A HA -0.081 4.242 4.320 0.004 0.000 0.214 139 A C 2.308 179.944 177.584 0.086 0.000 1.217 139 A CA 1.508 53.603 52.037 0.097 0.000 0.644 139 A CB -0.883 18.239 19.000 0.202 0.000 0.850 139 A HN 0.306 nan 8.150 nan 0.000 0.456 140 I N -1.516 119.115 120.570 0.101 0.000 2.358 140 I HA -0.322 3.850 4.170 0.004 0.000 0.257 140 I C 2.247 178.428 176.117 0.106 0.000 1.123 140 I CA 2.100 63.448 61.300 0.081 0.000 1.393 140 I CB -0.209 37.844 38.000 0.088 0.000 1.073 140 I HN 0.592 nan 8.210 nan 0.000 0.437 141 F N 0.360 120.298 119.950 -0.020 0.000 2.147 141 F HA -0.095 4.434 4.527 0.003 0.000 0.291 141 F C 1.770 177.566 175.800 -0.007 0.000 1.093 141 F CA 0.949 58.937 58.000 -0.020 0.000 1.263 141 F CB -0.011 38.918 39.000 -0.118 0.000 1.036 141 F HN -0.182 nan 8.300 nan 0.000 0.481 142 L N 1.152 122.447 121.223 0.120 0.000 2.737 142 L HA 0.024 4.366 4.340 0.004 0.000 0.246 142 L C 1.336 178.132 176.870 -0.124 0.000 1.153 142 L CA 0.924 55.668 54.840 -0.160 0.000 0.920 142 L CB -1.219 40.757 42.059 -0.139 0.000 1.090 142 L HN 0.407 nan 8.230 nan 0.000 0.430 143 L N -2.386 118.789 121.223 -0.079 0.000 2.433 143 L HA -0.006 4.336 4.340 0.004 0.000 0.200 143 L C 2.030 178.848 176.870 -0.087 0.000 1.059 143 L CA 0.193 54.999 54.840 -0.057 0.000 0.835 143 L CB -0.134 41.906 42.059 -0.032 0.000 1.076 143 L HN 0.137 nan 8.230 nan 0.000 0.481 144 F N 0.923 120.700 119.950 -0.288 0.000 2.440 144 F HA -0.127 4.402 4.527 0.004 0.000 0.297 144 F C 0.054 175.583 175.800 -0.451 0.000 1.077 144 F CA 0.930 58.712 58.000 -0.363 0.000 1.462 144 F CB 0.256 38.987 39.000 -0.449 0.000 1.101 144 F HN -0.140 nan 8.300 nan 0.000 0.584 145 L N 1.093 122.083 121.223 -0.388 0.000 2.518 145 L HA 0.252 4.594 4.340 0.004 0.000 0.262 145 L C 0.279 177.176 176.870 0.044 0.000 0.982 145 L CA 0.437 55.130 54.840 -0.245 0.000 0.873 145 L CB 0.568 42.377 42.059 -0.417 0.000 1.198 145 L HN 0.228 nan 8.230 nan 0.000 0.427 146 S N 0.839 116.566 115.700 0.044 0.000 2.365 146 S HA 0.073 4.545 4.470 0.004 0.000 0.126 146 S C 0.876 175.463 174.600 -0.022 0.000 0.626 146 S CA 0.522 58.763 58.200 0.069 0.000 1.493 146 S CB 0.024 63.248 63.200 0.040 0.000 0.946 146 S HN 0.365 nan 8.310 nan 0.000 0.277 147 A N 1.745 124.519 122.820 -0.077 0.000 1.963 147 A HA 0.599 4.921 4.320 0.004 0.000 0.211 147 A C 1.758 179.261 177.584 -0.135 0.000 1.380 147 A CA 0.779 52.754 52.037 -0.104 0.000 0.690 147 A CB -1.078 17.858 19.000 -0.106 0.000 1.060 147 A HN 0.406 nan 8.150 nan 0.000 0.498 148 I N 0.570 121.033 120.570 -0.179 0.000 2.504 148 I HA -0.392 3.780 4.170 0.004 0.000 0.230 148 I C 2.664 178.645 176.117 -0.226 0.000 0.933 148 I CA 2.483 63.641 61.300 -0.237 0.000 1.236 148 I CB -0.207 37.576 38.000 -0.361 0.000 0.947 148 I HN 0.394 nan 8.210 nan 0.000 0.390 149 S N -1.084 114.499 115.700 -0.196 0.000 2.527 149 S HA 0.078 4.550 4.470 0.004 0.000 0.222 149 S C 1.712 176.157 174.600 -0.257 0.000 0.985 149 S CA 0.227 58.271 58.200 -0.259 0.000 0.921 149 S CB -0.287 62.792 63.200 -0.201 0.000 0.772 149 S HN 0.382 nan 8.310 nan 0.000 0.529 150 L N 1.037 122.174 121.223 -0.145 0.000 2.591 150 L HA 0.300 4.642 4.340 0.004 0.000 0.228 150 L C 1.715 178.563 176.870 -0.036 0.000 1.133 150 L CA 0.164 54.961 54.840 -0.072 0.000 0.880 150 L CB -0.031 41.999 42.059 -0.049 0.000 1.033 150 L HN 0.357 nan 8.230 nan 0.000 0.450 151 L N -1.120 120.041 121.223 -0.102 0.000 2.131 151 L HA -0.068 4.274 4.340 0.004 0.000 0.206 151 L C 2.766 179.517 176.870 -0.198 0.000 1.087 151 L CA 0.889 55.680 54.840 -0.082 0.000 0.767 151 L CB -0.621 41.350 42.059 -0.146 0.000 0.917 151 L HN 0.272 nan 8.230 nan 0.000 0.441 152 A N 0.568 123.164 122.820 -0.374 0.000 1.986 152 A HA -0.147 4.176 4.320 0.004 0.000 0.220 152 A C 2.162 179.629 177.584 -0.196 0.000 1.171 152 A CA 1.855 53.511 52.037 -0.636 0.000 0.640 152 A CB -1.169 16.909 19.000 -1.537 0.000 0.811 152 A HN 0.450 nan 8.150 nan 0.000 0.451 153 G N -1.831 106.949 108.800 -0.034 0.000 2.707 153 G HA2 -0.122 3.840 3.960 0.004 0.000 0.204 153 G HA3 -0.122 3.840 3.960 0.004 0.000 0.204 153 G C 1.238 176.244 174.900 0.177 0.000 1.435 153 G CA 0.558 45.761 45.100 0.171 0.000 0.890 153 G HN 0.641 nan 8.290 nan 0.000 0.552 154 W N 0.654 121.927 121.300 -0.045 0.000 2.323 154 W HA -0.348 4.314 4.660 0.003 0.000 0.348 154 W C 2.447 178.938 176.519 -0.047 0.000 1.442 154 W CA 2.129 59.448 57.345 -0.044 0.000 1.295 154 W CB -0.644 28.776 29.460 -0.068 0.000 1.065 154 W HN 0.220 nan 8.180 nan 0.000 0.478 155 L N -1.380 119.829 121.223 -0.023 0.000 1.950 155 L HA -0.256 4.086 4.340 0.004 0.000 0.210 155 L C 2.609 179.345 176.870 -0.223 0.000 1.079 155 L CA 1.544 56.207 54.840 -0.295 0.000 0.754 155 L CB -1.709 40.021 42.059 -0.548 0.000 0.889 155 L HN 0.115 nan 8.230 nan 0.000 0.433 156 H N 0.647 119.544 119.070 -0.288 0.000 2.568 156 H HA 0.049 4.607 4.556 0.004 0.000 0.275 156 H C 0.735 175.969 175.328 -0.157 0.000 1.028 156 H CA 0.568 56.476 56.048 -0.234 0.000 1.173 156 H CB -0.011 29.542 29.762 -0.349 0.000 1.335 156 H HN 0.138 nan 8.280 nan 0.000 0.614 157 L N 1.636 122.876 121.223 0.029 0.000 2.865 157 L HA 0.167 4.510 4.340 0.004 0.000 0.233 157 L C -0.525 176.333 176.870 -0.020 0.000 1.320 157 L CA 0.078 54.932 54.840 0.023 0.000 1.225 157 L CB -0.079 42.007 42.059 0.044 0.000 1.542 157 L HN 0.080 nan 8.230 nan 0.000 0.432 158 Q N 2.550 122.352 119.800 0.004 0.000 2.275 158 Q HA 0.357 4.699 4.340 0.004 0.000 0.258 158 Q C -2.669 173.313 176.000 -0.031 0.000 0.960 158 Q CA -1.808 53.981 55.803 -0.022 0.000 0.801 158 Q CB 2.887 31.617 28.738 -0.012 0.000 1.302 158 Q HN 0.069 nan 8.270 nan 0.000 0.433 159 P HA 0.069 nan 4.420 nan 0.000 0.259 159 P C -0.130 177.074 177.300 -0.161 0.000 1.211 159 P CA 0.557 63.607 63.100 -0.083 0.000 0.810 159 P CB 0.909 32.566 31.700 -0.070 0.000 0.815 160 K N 2.367 122.646 120.400 -0.203 0.000 7.983 160 K HA -0.036 4.286 4.320 0.004 0.000 0.193 160 K C -0.395 176.001 176.600 -0.340 0.000 1.655 160 K CA -0.162 55.906 56.287 -0.367 0.000 0.951 160 K CB -1.041 31.085 32.500 -0.623 0.000 0.633 160 K HN 0.286 nan 8.250 nan 0.000 0.415 161 W N 6.896 128.016 121.300 -0.299 0.000 2.979 161 W HA 0.247 4.909 4.660 0.003 0.000 0.425 161 W C 0.009 176.137 176.519 -0.652 0.000 0.884 161 W CA -0.408 56.638 57.345 -0.499 0.000 2.044 161 W CB -1.271 27.814 29.460 -0.626 0.000 0.872 161 W HN 0.056 nan 8.180 nan 0.000 0.759 162 K N 0.453 120.792 120.400 -0.102 0.000 2.344 162 K HA 0.200 4.522 4.320 0.004 0.000 0.260 162 K C -2.120 174.578 176.600 0.164 0.000 0.988 162 K CA -1.192 55.104 56.287 0.016 0.000 0.909 162 K CB -0.211 32.289 32.500 -0.001 0.000 0.968 162 K HN -0.041 nan 8.250 nan 0.000 0.505 163 P HA 0.104 nan 4.420 nan 0.000 0.312 163 P C -0.117 177.260 177.300 0.129 0.000 1.308 163 P CA -0.607 62.517 63.100 0.040 0.000 0.743 163 P CB 1.025 32.951 31.700 0.376 0.000 1.364 164 S N -1.922 113.965 115.700 0.313 0.000 4.167 164 S HA 0.415 4.888 4.470 0.004 0.000 0.194 164 S C 0.557 175.439 174.600 0.470 0.000 1.053 164 S CA 0.328 58.736 58.200 0.347 0.000 1.663 164 S CB -0.274 63.099 63.200 0.289 0.000 0.938 164 S HN 0.119 nan 8.310 nan 0.000 0.804 165 V N -0.075 120.147 119.914 0.514 0.000 3.184 165 V HA 0.233 4.355 4.120 0.004 0.000 0.214 165 V C 2.057 178.456 176.094 0.509 0.000 1.570 165 V CA 0.582 63.104 62.300 0.370 0.000 1.160 165 V CB -0.420 31.380 31.823 -0.039 0.000 1.098 165 V HN 0.581 nan 8.190 nan 0.000 0.483 166 S N -0.327 115.577 115.700 0.340 0.000 2.380 166 S HA -0.291 4.182 4.470 0.004 0.000 0.217 166 S C 1.495 176.263 174.600 0.279 0.000 1.036 166 S CA 2.652 60.991 58.200 0.231 0.000 1.050 166 S CB -0.524 62.770 63.200 0.156 0.000 1.016 166 S HN 0.627 nan 8.310 nan 0.000 0.419 167 W N 0.620 121.948 121.300 0.046 0.000 2.108 167 W HA -0.369 4.293 4.660 0.004 0.000 0.322 167 W C 1.380 177.789 176.519 -0.183 0.000 1.366 167 W CA 2.413 59.700 57.345 -0.095 0.000 1.477 167 W CB -0.690 28.660 29.460 -0.184 0.000 1.077 167 W HN 0.470 nan 8.180 nan 0.000 0.519 168 F N -0.957 119.225 119.950 0.388 0.000 2.262 168 F HA 0.078 4.607 4.527 0.003 0.000 0.292 168 F C 2.193 178.037 175.800 0.072 0.000 1.081 168 F CA 1.202 59.359 58.000 0.262 0.000 1.355 168 F CB -0.760 38.478 39.000 0.396 0.000 1.069 168 F HN -0.363 nan 8.300 nan 0.000 0.506 169 K N 0.527 121.087 120.400 0.266 0.000 2.505 169 K HA -0.043 4.279 4.320 0.004 0.000 0.192 169 K C 0.808 177.428 176.600 0.035 0.000 1.025 169 K CA 0.191 56.556 56.287 0.131 0.000 1.086 169 K CB -0.402 32.168 32.500 0.116 0.000 0.840 169 K HN 0.124 nan 8.250 nan 0.000 0.514 170 N N 1.093 119.763 118.700 -0.050 0.000 2.521 170 N HA -0.070 4.672 4.740 0.004 0.000 0.188 170 N C 0.673 176.128 175.510 -0.092 0.000 1.146 170 N CA 0.828 53.828 53.050 -0.085 0.000 0.893 170 N CB 0.179 38.563 38.487 -0.172 0.000 0.975 170 N HN 0.219 nan 8.380 nan 0.000 0.451 171 A N 0.535 123.279 122.820 -0.126 0.000 5.042 171 A HA -0.307 4.015 4.320 0.004 0.000 0.334 171 A C 0.428 177.898 177.584 -0.190 0.000 1.811 171 A CA 1.665 53.597 52.037 -0.175 0.000 0.704 171 A CB -1.753 17.166 19.000 -0.135 0.000 1.410 171 A HN 0.481 nan 8.150 nan 0.000 0.386 172 E N 1.272 121.376 120.200 -0.161 0.000 3.259 172 E HA 0.286 4.638 4.350 0.004 0.000 0.307 172 E C 0.575 177.145 176.600 -0.051 0.000 1.375 172 E CA 1.025 57.342 56.400 -0.139 0.000 1.472 172 E CB -0.224 29.459 29.700 -0.027 0.000 1.174 172 E HN 0.830 nan 8.360 nan 0.000 0.473 173 S N 0.647 116.294 115.700 -0.089 0.000 4.738 173 S HA -0.066 4.406 4.470 0.004 0.000 0.176 173 S C 0.262 174.794 174.600 -0.113 0.000 1.108 173 S CA -0.319 57.819 58.200 -0.103 0.000 1.277 173 S CB -0.122 62.924 63.200 -0.256 0.000 1.680 173 S HN 0.256 nan 8.310 nan 0.000 0.502 174 R N 3.019 123.372 120.500 -0.245 0.000 2.605 174 R HA 0.643 4.985 4.340 0.004 0.000 0.271 174 R C 0.373 176.642 176.300 -0.052 0.000 1.418 174 R CA 0.805 56.797 56.100 -0.180 0.000 1.102 174 R CB -0.920 29.175 30.300 -0.342 0.000 1.131 174 R HN 0.617 nan 8.270 nan 0.000 0.554 175 L N 1.834 123.110 121.223 0.088 0.000 1.344 175 L HA -0.212 4.130 4.340 0.004 0.000 0.042 175 L C 0.595 177.527 176.870 0.103 0.000 1.683 175 L CA 0.750 55.604 54.840 0.023 0.000 1.025 175 L CB -0.914 41.069 42.059 -0.126 0.000 1.890 175 L HN 0.564 nan 8.230 nan 0.000 0.402 176 N N 0.035 118.815 118.700 0.133 0.000 2.022 176 N HA -0.274 4.468 4.740 0.004 0.000 0.195 176 N C 1.587 177.265 175.510 0.279 0.000 1.063 176 N CA 2.548 55.802 53.050 0.339 0.000 0.851 176 N CB -0.448 38.371 38.487 0.554 0.000 1.050 176 N HN 0.657 nan 8.380 nan 0.000 0.425 177 H N -1.068 118.111 119.070 0.182 0.000 2.330 177 H HA -0.241 4.318 4.556 0.003 0.000 0.290 177 H C 1.593 177.031 175.328 0.184 0.000 1.111 177 H CA 2.392 58.535 56.048 0.158 0.000 1.226 177 H CB -0.679 29.146 29.762 0.105 0.000 1.355 177 H HN 0.562 nan 8.280 nan 0.000 0.485 178 H N -0.373 118.795 119.070 0.163 0.000 2.566 178 H HA 0.076 4.634 4.556 0.004 0.000 0.280 178 H C 1.190 176.508 175.328 -0.016 0.000 1.042 178 H CA 0.265 56.361 56.048 0.080 0.000 1.168 178 H CB 0.259 30.111 29.762 0.151 0.000 1.340 178 H HN 0.413 nan 8.280 nan 0.000 0.597 179 L N -0.759 120.448 121.223 -0.027 0.000 2.185 179 L HA -0.059 4.283 4.340 0.004 0.000 0.198 179 L C 2.820 179.724 176.870 0.057 0.000 1.079 179 L CA 0.727 55.546 54.840 -0.034 0.000 0.780 179 L CB -0.840 41.180 42.059 -0.066 0.000 0.955 179 L HN 0.179 nan 8.230 nan 0.000 0.462 180 S N 1.046 116.784 115.700 0.064 0.000 2.378 180 S HA -0.240 4.232 4.470 0.004 0.000 0.229 180 S C 2.017 176.646 174.600 0.049 0.000 1.052 180 S CA 1.707 59.954 58.200 0.078 0.000 1.084 180 S CB -1.576 61.637 63.200 0.023 0.000 0.950 180 S HN 0.451 nan 8.310 nan 0.000 0.440 181 G N 2.079 110.852 108.800 -0.046 0.000 2.496 181 G HA2 0.006 3.968 3.960 0.004 0.000 0.214 181 G HA3 0.006 3.968 3.960 0.004 0.000 0.214 181 G C 1.369 176.291 174.900 0.037 0.000 1.234 181 G CA 0.673 45.785 45.100 0.020 0.000 0.807 181 G HN 0.415 nan 8.290 nan 0.000 0.543 182 L N -0.482 120.704 121.223 -0.062 0.000 1.997 182 L HA -0.194 4.148 4.340 0.004 0.000 0.227 182 L C 2.603 179.285 176.870 -0.314 0.000 1.087 182 L CA 2.243 56.890 54.840 -0.322 0.000 0.797 182 L CB -0.700 40.773 42.059 -0.978 0.000 0.902 182 L HN 0.251 nan 8.230 nan 0.000 0.441 183 F N -1.258 118.695 119.950 0.004 0.000 2.238 183 F HA 0.290 4.819 4.527 0.004 0.000 0.262 183 F C 2.297 178.170 175.800 0.121 0.000 1.196 183 F CA 0.602 58.660 58.000 0.097 0.000 1.056 183 F CB -1.613 37.502 39.000 0.193 0.000 1.032 183 F HN 0.280 nan 8.300 nan 0.000 0.545 184 G N 1.229 110.269 108.800 0.400 0.000 2.738 184 G HA2 -0.411 3.551 3.960 0.004 0.000 0.391 184 G HA3 -0.411 3.551 3.960 0.004 0.000 0.391 184 G C 1.474 176.455 174.900 0.136 0.000 1.049 184 G CA 1.927 47.147 45.100 0.200 0.000 0.855 184 G HN 0.366 nan 8.290 nan 0.000 0.757 185 V N 0.654 120.639 119.914 0.117 0.000 2.311 185 V HA -0.306 3.816 4.120 0.004 0.000 0.259 185 V C 3.162 179.348 176.094 0.154 0.000 1.086 185 V CA 3.280 65.651 62.300 0.120 0.000 1.078 185 V CB -1.028 30.863 31.823 0.115 0.000 0.668 185 V HN 0.729 nan 8.190 nan 0.000 0.452 186 S N 0.121 115.922 115.700 0.169 0.000 2.389 186 S HA -0.286 4.186 4.470 0.004 0.000 0.229 186 S C 1.988 176.739 174.600 0.252 0.000 1.048 186 S CA 2.037 60.350 58.200 0.188 0.000 1.117 186 S CB -0.544 62.755 63.200 0.165 0.000 1.020 186 S HN 0.779 nan 8.310 nan 0.000 0.430 187 S N 2.769 118.640 115.700 0.285 0.000 2.523 187 S HA -0.206 4.266 4.470 0.004 0.000 0.226 187 S C 1.718 176.491 174.600 0.287 0.000 1.062 187 S CA 1.324 59.769 58.200 0.409 0.000 1.207 187 S CB -1.303 62.120 63.200 0.373 0.000 1.151 187 S HN 0.488 nan 8.310 nan 0.000 0.408 188 L N 1.269 122.586 121.223 0.157 0.000 2.402 188 L HA -0.441 3.901 4.340 0.004 0.000 0.240 188 L C 2.280 179.220 176.870 0.116 0.000 1.135 188 L CA 2.590 57.489 54.840 0.099 0.000 0.830 188 L CB -1.111 41.008 42.059 0.099 0.000 0.988 188 L HN 0.482 nan 8.230 nan 0.000 0.428 189 A N -0.901 122.029 122.820 0.184 0.000 1.873 189 A HA -0.274 4.049 4.320 0.004 0.000 0.215 189 A C 1.969 179.680 177.584 0.210 0.000 1.186 189 A CA 1.668 53.848 52.037 0.238 0.000 0.616 189 A CB -1.328 17.818 19.000 0.243 0.000 0.823 189 A HN 0.912 nan 8.150 nan 0.000 0.442 190 W N 0.964 122.312 121.300 0.080 0.000 2.315 190 W HA -0.284 4.378 4.660 0.004 0.000 0.323 190 W C 2.136 178.628 176.519 -0.044 0.000 1.233 190 W CA 2.466 59.807 57.345 -0.006 0.000 1.267 190 W CB -0.604 28.816 29.460 -0.067 0.000 1.160 190 W HN 0.407 nan 8.180 nan 0.000 0.474 191 A N 1.069 123.653 122.820 -0.395 0.000 2.024 191 A HA -0.105 4.217 4.320 0.004 0.000 0.220 191 A C 2.247 179.569 177.584 -0.435 0.000 1.164 191 A CA 2.341 54.148 52.037 -0.382 0.000 0.643 191 A CB -1.489 17.520 19.000 0.015 0.000 0.806 191 A HN 0.489 nan 8.150 nan 0.000 0.451 192 G N -2.334 106.248 108.800 -0.364 0.000 2.492 192 G HA2 -0.030 3.933 3.960 0.004 0.000 0.214 192 G HA3 -0.030 3.933 3.960 0.004 0.000 0.214 192 G C 1.377 175.501 174.900 -1.294 0.000 1.147 192 G CA 0.917 45.677 45.100 -0.566 0.000 0.809 192 G HN 0.750 nan 8.290 nan 0.000 0.533 193 H N -0.455 118.148 119.070 -0.779 0.000 2.357 193 H HA 0.129 4.687 4.556 0.004 0.000 0.301 193 H C 1.295 176.243 175.328 -0.634 0.000 1.082 193 H CA 0.296 56.022 56.048 -0.536 0.000 1.342 193 H CB -0.040 29.626 29.762 -0.160 0.000 1.389 193 H HN 0.169 nan 8.280 nan 0.000 0.511 194 L N 1.394 122.134 121.223 -0.805 0.000 2.869 194 L HA -0.013 4.329 4.340 0.004 0.000 0.240 194 L C -0.380 176.177 176.870 -0.523 0.000 1.448 194 L CA 0.330 54.723 54.840 -0.746 0.000 1.158 194 L CB -0.342 40.994 42.059 -1.206 0.000 1.497 194 L HN 0.325 nan 8.230 nan 0.000 0.447 195 V N -0.984 118.641 119.914 -0.482 0.000 5.311 195 V HA -0.107 4.015 4.120 0.004 0.000 0.119 195 V C 0.939 176.835 176.094 -0.330 0.000 1.232 195 V CA 0.660 62.714 62.300 -0.410 0.000 0.820 195 V CB -0.241 31.303 31.823 -0.464 0.000 0.965 195 V HN 0.655 nan 8.190 nan 0.000 0.675 196 H N -0.497 118.464 119.070 -0.182 0.000 2.740 196 H HA 0.571 5.129 4.556 0.004 0.000 0.265 196 H C 0.193 175.389 175.328 -0.220 0.000 0.978 196 H CA 0.480 56.420 56.048 -0.180 0.000 1.198 196 H CB 0.367 30.019 29.762 -0.182 0.000 1.467 196 H HN 0.238 nan 8.280 nan 0.000 0.511 197 V N 0.789 120.559 119.914 -0.241 0.000 2.315 197 V HA 0.757 4.879 4.120 0.004 0.000 0.265 197 V C 0.150 176.131 176.094 -0.188 0.000 1.019 197 V CA 0.357 62.469 62.300 -0.314 0.000 0.824 197 V CB 0.121 31.675 31.823 -0.448 0.000 1.072 197 V HN 0.729 nan 8.190 nan 0.000 0.448 198 A N 2.850 125.632 122.820 -0.062 0.000 2.571 198 A HA 0.098 4.420 4.320 0.004 0.000 0.194 198 A C 1.271 178.842 177.584 -0.022 0.000 1.772 198 A CA 0.252 52.292 52.037 0.005 0.000 1.517 198 A CB -0.500 18.527 19.000 0.045 0.000 1.337 198 A HN 0.328 nan 8.150 nan 0.000 0.362 199 I N 1.553 122.102 120.570 -0.035 0.000 2.074 199 I HA -0.182 3.991 4.170 0.004 0.000 0.238 199 I C -0.799 175.297 176.117 -0.035 0.000 1.037 199 I CA 2.386 63.673 61.300 -0.023 0.000 1.301 199 I CB -1.830 36.156 38.000 -0.024 0.000 1.016 199 I HN 0.184 nan 8.210 nan 0.000 0.400 200 P HA -0.070 nan 4.420 nan 0.000 0.226 200 P C 1.383 178.634 177.300 -0.082 0.000 1.146 200 P CA 1.366 64.439 63.100 -0.045 0.000 0.773 200 P CB -0.223 31.460 31.700 -0.029 0.000 0.772 201 G N -1.364 107.369 108.800 -0.112 0.000 2.576 201 G HA2 -0.087 3.875 3.960 0.004 0.000 0.210 201 G HA3 -0.087 3.875 3.960 0.004 0.000 0.210 201 G C 1.518 176.290 174.900 -0.213 0.000 1.143 201 G CA 0.128 45.120 45.100 -0.181 0.000 0.819 201 G HN 0.121 nan 8.290 nan 0.000 0.534 202 S N 0.078 115.657 115.700 -0.201 0.000 2.469 202 S HA -0.069 4.403 4.470 0.004 0.000 0.238 202 S C 2.122 176.690 174.600 -0.053 0.000 0.998 202 S CA 1.299 59.351 58.200 -0.246 0.000 0.957 202 S CB 0.018 63.166 63.200 -0.086 0.000 0.764 202 S HN 0.485 nan 8.310 nan 0.000 0.514 203 R N 0.465 120.932 120.500 -0.055 0.000 2.123 203 R HA 0.221 4.563 4.340 0.004 0.000 0.209 203 R C 1.098 177.359 176.300 -0.065 0.000 1.078 203 R CA 1.222 57.292 56.100 -0.049 0.000 1.028 203 R CB 0.199 30.470 30.300 -0.050 0.000 0.939 203 R HN 0.314 nan 8.270 nan 0.000 0.463 204 G N 0.117 108.860 108.800 -0.095 0.000 2.207 204 G HA2 -0.125 3.837 3.960 0.004 0.000 0.193 204 G HA3 -0.125 3.837 3.960 0.004 0.000 0.193 204 G C -0.876 173.938 174.900 -0.142 0.000 1.050 204 G CA -0.302 44.725 45.100 -0.122 0.000 0.780 204 G HN 0.261 nan 8.290 nan 0.000 0.504 205 E N 0.453 120.569 120.200 -0.140 0.000 2.216 205 E HA 0.378 4.730 4.350 0.004 0.000 0.260 205 E C -0.469 176.080 176.600 -0.084 0.000 0.880 205 E CA -1.012 55.343 56.400 -0.075 0.000 0.765 205 E CB 0.903 30.587 29.700 -0.027 0.000 1.174 205 E HN 0.184 nan 8.360 nan 0.000 0.417 206 Y N 3.466 123.766 120.300 -0.001 0.000 3.116 206 Y HA -0.115 4.438 4.550 0.004 0.000 0.347 206 Y C 1.514 177.423 175.900 0.016 0.000 1.039 206 Y CA 0.490 58.596 58.100 0.010 0.000 2.052 206 Y CB -0.395 38.068 38.460 0.005 0.000 2.234 206 Y HN 0.424 nan 8.280 nan 0.000 0.398 207 V N 1.971 121.933 119.914 0.080 0.000 2.453 207 V HA -0.164 3.958 4.120 0.004 0.000 0.247 207 V C 1.276 177.452 176.094 0.137 0.000 1.048 207 V CA 1.463 63.815 62.300 0.085 0.000 1.049 207 V CB -0.163 31.686 31.823 0.043 0.000 0.672 207 V HN 0.909 nan 8.190 nan 0.000 0.457 208 R N -2.286 118.306 120.500 0.153 0.000 3.906 208 R HA -0.280 4.062 4.340 0.004 0.000 0.449 208 R C 0.690 177.160 176.300 0.282 0.000 0.241 208 R CA 1.340 57.552 56.100 0.187 0.000 1.420 208 R CB -2.094 28.275 30.300 0.115 0.000 1.053 208 R HN 0.602 nan 8.270 nan 0.000 0.539 209 W N 2.019 123.385 121.300 0.109 0.000 2.707 209 W HA 0.019 4.682 4.660 0.004 0.000 0.308 209 W C 1.823 178.425 176.519 0.138 0.000 1.063 209 W CA 1.618 59.007 57.345 0.074 0.000 1.509 209 W CB -1.446 27.963 29.460 -0.084 0.000 1.245 209 W HN 0.808 nan 8.180 nan 0.000 0.479 210 N N 1.309 119.348 118.700 -1.103 0.000 1.293 210 N HA -0.399 4.343 4.740 0.004 0.000 0.131 210 N C 0.481 175.841 175.510 -0.251 0.000 0.217 210 N CA 3.352 55.813 53.050 -0.982 0.000 1.156 210 N CB -1.765 36.373 38.487 -0.581 0.000 1.264 210 N HN 0.533 nan 8.380 nan 0.000 0.796 211 N N 0.391 119.048 118.700 -0.072 0.000 2.598 211 N HA -0.092 4.650 4.740 0.004 0.000 0.300 211 N C 0.004 175.612 175.510 0.164 0.000 1.224 211 N CA 0.212 53.289 53.050 0.044 0.000 1.125 211 N CB -0.517 37.983 38.487 0.021 0.000 1.468 211 N HN 0.529 nan 8.380 nan 0.000 0.504 212 F N 1.560 121.550 119.950 0.067 0.000 2.704 212 F HA 0.197 4.726 4.527 0.004 0.000 0.304 212 F C 1.197 177.040 175.800 0.072 0.000 1.094 212 F CA -0.407 57.671 58.000 0.130 0.000 1.275 212 F CB 0.458 39.650 39.000 0.320 0.000 1.073 212 F HN 0.393 nan 8.300 nan 0.000 0.586 213 L N -0.724 120.494 121.223 -0.008 0.000 2.758 213 L HA 0.319 4.661 4.340 0.004 0.000 0.234 213 L C 1.289 178.132 176.870 -0.045 0.000 1.049 213 L CA 1.059 55.849 54.840 -0.085 0.000 0.908 213 L CB -0.727 41.334 42.059 0.002 0.000 1.362 213 L HN -0.060 nan 8.230 nan 0.000 0.499 214 D N 0.694 121.095 120.400 0.001 0.000 2.358 214 D HA -0.048 4.594 4.640 0.004 0.000 0.241 214 D C 1.133 177.428 176.300 -0.009 0.000 1.094 214 D CA 1.020 55.020 54.000 -0.000 0.000 0.907 214 D CB -0.454 40.353 40.800 0.011 0.000 0.893 214 D HN 0.329 nan 8.370 nan 0.000 0.528 215 V N -0.303 119.595 119.914 -0.026 0.000 2.442 215 V HA 0.107 4.229 4.120 0.004 0.000 0.195 215 V C 1.468 177.544 176.094 -0.031 0.000 1.094 215 V CA 0.221 62.504 62.300 -0.028 0.000 1.202 215 V CB -1.044 30.755 31.823 -0.039 0.000 0.756 215 V HN 0.295 nan 8.190 nan 0.000 0.479 216 L N -0.406 120.792 121.223 -0.042 0.000 3.640 216 L HA -0.077 4.265 4.340 0.004 0.000 0.424 216 L C -1.556 175.328 176.870 0.023 0.000 1.237 216 L CA 0.197 55.031 54.840 -0.009 0.000 0.849 216 L CB -1.884 40.173 42.059 -0.004 0.000 1.990 216 L HN 0.302 nan 8.230 nan 0.000 0.710 217 P HA -0.228 nan 4.420 nan 0.000 0.219 217 P C 0.107 177.488 177.300 0.135 0.000 1.149 217 P CA 1.704 64.837 63.100 0.054 0.000 0.835 217 P CB -0.041 31.689 31.700 0.050 0.000 0.778 218 Y N -1.568 118.752 120.300 0.034 0.000 2.335 218 Y HA 0.193 4.746 4.550 0.004 0.000 0.339 218 Y C -1.401 174.539 175.900 0.067 0.000 0.987 218 Y CA -2.634 55.516 58.100 0.084 0.000 1.140 218 Y CB 1.303 39.878 38.460 0.192 0.000 1.173 218 Y HN -0.055 nan 8.280 nan 0.000 0.486 219 P HA -0.250 nan 4.420 nan 0.000 0.216 219 P C 0.124 177.372 177.300 -0.087 0.000 1.157 219 P CA 1.427 64.398 63.100 -0.216 0.000 0.880 219 P CB 0.225 31.726 31.700 -0.331 0.000 0.791 220 Q N -0.177 119.597 119.800 -0.044 0.000 3.247 220 Q HA 0.334 4.676 4.340 0.004 0.000 0.326 220 Q C 1.120 177.224 176.000 0.174 0.000 1.402 220 Q CA 0.215 56.061 55.803 0.072 0.000 0.994 220 Q CB -1.324 27.455 28.738 0.067 0.000 1.647 220 Q HN 0.205 nan 8.270 nan 0.000 0.523 221 G N 0.943 109.822 108.800 0.132 0.000 2.700 221 G HA2 -0.358 3.604 3.960 0.004 0.000 0.350 221 G HA3 -0.358 3.604 3.960 0.004 0.000 0.350 221 G C 0.269 175.273 174.900 0.174 0.000 1.250 221 G CA 0.676 45.849 45.100 0.122 0.000 0.978 221 G HN 0.582 nan 8.290 nan 0.000 0.551 222 L N 1.841 123.150 121.223 0.143 0.000 3.184 222 L HA 0.515 4.857 4.340 0.004 0.000 0.283 222 L C 2.316 179.290 176.870 0.172 0.000 1.218 222 L CA 1.547 56.488 54.840 0.167 0.000 1.028 222 L CB 0.074 42.201 42.059 0.113 0.000 1.400 222 L HN 0.817 nan 8.230 nan 0.000 0.591 223 G N 1.345 110.228 108.800 0.139 0.000 2.941 223 G HA2 -0.186 3.777 3.960 0.004 0.000 0.206 223 G HA3 -0.186 3.777 3.960 0.004 0.000 0.206 223 G C -0.787 174.182 174.900 0.116 0.000 1.403 223 G CA 1.172 46.328 45.100 0.093 0.000 0.805 223 G HN 0.339 nan 8.290 nan 0.000 0.689 224 P HA -0.128 nan 4.420 nan 0.000 0.218 224 P C 2.153 179.495 177.300 0.071 0.000 1.146 224 P CA 0.804 63.868 63.100 -0.059 0.000 0.813 224 P CB -0.196 31.401 31.700 -0.171 0.000 0.778 225 L N -0.544 121.065 121.223 0.644 0.000 1.997 225 L HA -0.227 4.116 4.340 0.004 0.000 0.227 225 L C 2.127 179.349 176.870 0.588 0.000 1.087 225 L CA 2.183 57.633 54.840 1.017 0.000 0.797 225 L CB -1.350 41.014 42.059 0.509 0.000 0.902 225 L HN -0.059 nan 8.230 nan 0.000 0.441 226 L N -1.051 120.333 121.223 0.268 0.000 1.845 226 L HA -0.202 4.140 4.340 0.004 0.000 0.239 226 L C 2.123 178.984 176.870 -0.016 0.000 1.068 226 L CA 1.522 56.439 54.840 0.128 0.000 1.094 226 L CB -1.404 40.702 42.059 0.079 0.000 0.996 226 L HN 0.399 nan 8.230 nan 0.000 0.528 227 T N -0.502 114.011 114.554 -0.068 0.000 1.603 227 T HA -0.361 3.991 4.350 0.004 0.000 0.082 227 T C 0.808 175.339 174.700 -0.281 0.000 1.830 227 T CA 1.685 63.690 62.100 -0.158 0.000 0.739 227 T CB -1.434 67.331 68.868 -0.173 0.000 0.770 227 T HN 0.925 nan 8.240 nan 0.000 0.388 228 G N 0.639 109.150 108.800 -0.482 0.000 4.791 228 G HA2 0.404 4.366 3.960 0.004 0.000 0.219 228 G HA3 0.404 4.366 3.960 0.004 0.000 0.219 228 G C -0.567 173.898 174.900 -0.726 0.000 0.699 228 G CA 0.269 44.990 45.100 -0.631 0.000 1.017 228 G HN 0.741 nan 8.290 nan 0.000 0.670 229 Q N -0.258 119.038 119.800 -0.838 0.000 2.305 229 Q HA 0.539 4.881 4.340 0.004 0.000 0.271 229 Q C -0.404 175.251 176.000 -0.575 0.000 1.046 229 Q CA -1.001 54.485 55.803 -0.529 0.000 0.798 229 Q CB 1.733 30.297 28.738 -0.291 0.000 1.286 229 Q HN 0.183 nan 8.270 nan 0.000 0.435 230 W N 1.523 122.811 121.300 -0.019 0.000 4.011 230 W HA 0.109 4.771 4.660 0.004 0.000 0.213 230 W C 1.072 177.562 176.519 -0.048 0.000 1.060 230 W CA 0.039 57.387 57.345 0.006 0.000 1.775 230 W CB -0.171 29.395 29.460 0.176 0.000 0.793 230 W HN 0.651 nan 8.180 nan 0.000 0.863 231 N N 1.775 120.615 118.700 0.233 0.000 2.573 231 N HA -0.144 4.598 4.740 0.004 0.000 0.196 231 N C 0.994 176.557 175.510 0.089 0.000 1.064 231 N CA 0.805 53.948 53.050 0.155 0.000 0.922 231 N CB -0.388 38.165 38.487 0.109 0.000 0.947 231 N HN 0.103 nan 8.380 nan 0.000 0.450 232 L N 0.247 121.469 121.223 -0.001 0.000 2.437 232 L HA 0.024 4.366 4.340 0.004 0.000 0.243 232 L C -0.260 176.576 176.870 -0.057 0.000 1.346 232 L CA 0.277 55.119 54.840 0.005 0.000 1.233 232 L CB -0.614 41.412 42.059 -0.055 0.000 1.436 232 L HN 0.147 nan 8.230 nan 0.000 0.416 233 Y N -0.253 120.102 120.300 0.090 0.000 3.152 233 Y HA -0.026 4.526 4.550 0.004 0.000 0.207 233 Y C 2.014 177.889 175.900 -0.043 0.000 1.055 233 Y CA 0.105 58.107 58.100 -0.163 0.000 1.570 233 Y CB -0.086 38.263 38.460 -0.185 0.000 1.407 233 Y HN 0.300 nan 8.280 nan 0.000 0.401 234 A N 0.729 123.665 122.820 0.194 0.000 2.125 234 A HA -0.163 4.159 4.320 0.004 0.000 0.219 234 A C 0.986 178.622 177.584 0.086 0.000 1.156 234 A CA 0.935 53.032 52.037 0.100 0.000 0.671 234 A CB -0.733 18.321 19.000 0.090 0.000 0.794 234 A HN 0.472 nan 8.150 nan 0.000 0.459 235 Q N 0.998 120.875 119.800 0.128 0.000 2.398 235 Q HA -0.023 4.320 4.340 0.004 0.000 0.329 235 Q C 0.369 176.426 176.000 0.095 0.000 1.079 235 Q CA 1.070 56.943 55.803 0.117 0.000 1.041 235 Q CB -0.693 28.150 28.738 0.175 0.000 1.084 235 Q HN 0.787 nan 8.270 nan 0.000 0.386 236 N N 2.323 121.050 118.700 0.045 0.000 2.664 236 N HA -0.194 4.548 4.740 0.004 0.000 0.296 236 N C -2.491 173.007 175.510 -0.020 0.000 1.153 236 N CA -0.040 53.017 53.050 0.011 0.000 0.765 236 N CB -0.559 37.932 38.487 0.006 0.000 0.962 236 N HN 0.341 nan 8.380 nan 0.000 0.564 237 P HA -0.039 nan 4.420 nan 0.000 0.266 237 P C 0.143 177.328 177.300 -0.192 0.000 1.193 237 P CA -0.082 62.913 63.100 -0.175 0.000 0.770 237 P CB 0.806 32.354 31.700 -0.253 0.000 0.836 238 S N 1.447 117.006 115.700 -0.236 0.000 2.537 238 S HA 0.203 4.675 4.470 0.004 0.000 0.286 238 S C -0.161 174.324 174.600 -0.192 0.000 1.299 238 S CA -0.092 58.021 58.200 -0.144 0.000 1.067 238 S CB -0.716 62.465 63.200 -0.032 0.000 0.864 238 S HN 0.407 nan 8.310 nan 0.000 0.494 239 S N 3.867 119.549 115.700 -0.030 0.000 2.594 239 S HA 0.558 5.030 4.470 0.004 0.000 0.322 239 S C 0.560 175.218 174.600 0.097 0.000 1.085 239 S CA -0.200 58.003 58.200 0.005 0.000 1.116 239 S CB 1.096 64.290 63.200 -0.009 0.000 0.979 239 S HN 0.931 nan 8.310 nan 0.000 0.465 240 S N 2.724 118.526 115.700 0.170 0.000 1.832 240 S HA -0.341 4.131 4.470 0.004 0.000 0.231 240 S C 1.409 176.103 174.600 0.157 0.000 0.901 240 S CA 1.936 60.250 58.200 0.189 0.000 1.687 240 S CB -1.579 61.700 63.200 0.132 0.000 1.858 240 S HN 0.869 nan 8.310 nan 0.000 0.523 241 N N 0.304 119.078 118.700 0.123 0.000 2.606 241 N HA -0.029 4.713 4.740 0.004 0.000 0.208 241 N C 0.389 175.967 175.510 0.114 0.000 1.046 241 N CA 1.050 54.169 53.050 0.116 0.000 0.891 241 N CB -0.245 38.301 38.487 0.099 0.000 1.344 241 N HN 0.705 nan 8.380 nan 0.000 0.437 242 H N 2.918 121.998 119.070 0.018 0.000 1.458 242 H HA -0.167 4.391 4.556 0.004 0.000 0.317 242 H C -0.263 175.097 175.328 0.052 0.000 0.720 242 H CA 0.237 56.292 56.048 0.012 0.000 1.113 242 H CB -1.622 28.130 29.762 -0.016 0.000 1.395 242 H HN 0.162 nan 8.280 nan 0.000 0.228 243 L N 4.435 125.704 121.223 0.075 0.000 2.720 243 L HA -0.145 4.197 4.340 0.004 0.000 0.289 243 L C 1.146 177.907 176.870 -0.182 0.000 1.232 243 L CA 0.604 55.468 54.840 0.040 0.000 0.915 243 L CB -0.239 41.873 42.059 0.089 0.000 1.184 243 L HN 0.473 nan 8.230 nan 0.000 0.491 244 F N 3.578 123.464 119.950 -0.107 0.000 2.538 244 F HA 0.377 4.907 4.527 0.004 0.000 0.371 244 F C 1.284 177.057 175.800 -0.046 0.000 1.087 244 F CA 0.496 58.422 58.000 -0.124 0.000 1.250 244 F CB 0.605 39.754 39.000 0.248 0.000 1.110 244 F HN 0.727 nan 8.300 nan 0.000 0.570 245 G N 3.896 111.857 108.800 -1.398 0.000 2.363 245 G HA2 -0.119 3.843 3.960 0.004 0.000 0.286 245 G HA3 -0.119 3.843 3.960 0.004 0.000 0.286 245 G C -0.243 174.457 174.900 -0.333 0.000 0.975 245 G CA 0.434 44.971 45.100 -0.939 0.000 1.309 245 G HN 1.057 nan 8.290 nan 0.000 0.491 246 T N -1.195 113.349 114.554 -0.018 0.000 2.634 246 T HA 0.767 5.119 4.350 0.004 0.000 0.247 246 T C 0.530 175.364 174.700 0.223 0.000 1.061 246 T CA 0.256 62.421 62.100 0.108 0.000 1.221 246 T CB 0.797 69.701 68.868 0.060 0.000 1.782 246 T HN 1.235 nan 8.240 nan 0.000 0.437 247 T N -0.337 114.317 114.554 0.168 0.000 2.905 247 T HA 0.706 5.058 4.350 0.004 0.000 0.283 247 T C -1.128 173.593 174.700 0.035 0.000 1.031 247 T CA -0.673 61.449 62.100 0.036 0.000 1.002 247 T CB 1.000 69.885 68.868 0.029 0.000 1.200 247 T HN 0.667 nan 8.240 nan 0.000 0.560 248 Q N -0.750 119.023 119.800 -0.045 0.000 3.246 248 Q HA 0.062 4.404 4.340 0.004 0.000 0.030 248 Q C 1.306 177.226 176.000 -0.133 0.000 1.717 248 Q CA 1.571 57.348 55.803 -0.044 0.000 0.236 248 Q CB -1.480 27.278 28.738 0.033 0.000 0.599 248 Q HN 2.085 nan 8.270 nan 0.000 0.323 249 G N -0.155 108.585 108.800 -0.099 0.000 2.249 249 G HA2 -0.263 3.700 3.960 0.004 0.000 0.273 249 G HA3 -0.263 3.700 3.960 0.004 0.000 0.273 249 G C 0.495 175.196 174.900 -0.332 0.000 0.995 249 G CA 0.770 45.815 45.100 -0.090 0.000 0.671 249 G HN 1.761 nan 8.290 nan 0.000 0.539 250 A N 0.842 123.192 122.820 -0.782 0.000 2.993 250 A HA 0.548 4.870 4.320 0.004 0.000 0.281 250 A C 1.233 178.632 177.584 -0.308 0.000 1.847 250 A CA 0.891 52.409 52.037 -0.866 0.000 1.470 250 A CB -0.459 18.067 19.000 -0.791 0.000 1.028 250 A HN 1.574 nan 8.150 nan 0.000 0.604 251 G N 1.919 110.610 108.800 -0.182 0.000 2.915 251 G HA2 0.358 4.321 3.960 0.004 0.000 0.298 251 G HA3 0.358 4.321 3.960 0.004 0.000 0.298 251 G C 0.538 175.405 174.900 -0.054 0.000 0.837 251 G CA 0.410 45.449 45.100 -0.101 0.000 1.752 251 G HN 0.717 nan 8.290 nan 0.000 0.526 252 T N 0.582 115.111 114.554 -0.042 0.000 2.785 252 T HA 0.175 4.527 4.350 0.004 0.000 0.339 252 T C 1.339 176.113 174.700 0.123 0.000 1.047 252 T CA 1.710 63.827 62.100 0.027 0.000 1.135 252 T CB 0.342 69.205 68.868 -0.008 0.000 1.085 252 T HN 1.555 nan 8.240 nan 0.000 0.510 253 A N 3.089 126.085 122.820 0.294 0.000 3.512 253 A HA 0.411 4.734 4.320 0.004 0.000 0.183 253 A C 0.481 178.200 177.584 0.224 0.000 1.313 253 A CA 0.542 52.811 52.037 0.387 0.000 1.279 253 A CB -1.092 17.981 19.000 0.122 0.000 0.987 253 A HN 1.746 nan 8.150 nan 0.000 0.455 254 I N -1.800 118.804 120.570 0.058 0.000 8.306 254 I HA -0.256 3.916 4.170 0.004 0.000 0.309 254 I C 0.055 176.065 176.117 -0.178 0.000 2.244 254 I CA 0.982 62.212 61.300 -0.115 0.000 1.861 254 I CB -0.568 37.309 38.000 -0.206 0.000 3.741 254 I HN 1.973 nan 8.210 nan 0.000 0.365 255 L N 0.876 121.937 121.223 -0.270 0.000 6.450 255 L HA 0.001 4.343 4.340 0.004 0.000 0.355 255 L C 0.491 177.330 176.870 -0.051 0.000 1.566 255 L CA 1.042 55.780 54.840 -0.170 0.000 0.841 255 L CB -2.402 39.491 42.059 -0.276 0.000 1.542 255 L HN 0.670 nan 8.230 nan 0.000 0.329 256 T N -0.080 114.454 114.554 -0.033 0.000 2.902 256 T HA 0.705 5.057 4.350 0.004 0.000 0.280 256 T C 0.193 174.885 174.700 -0.014 0.000 0.992 256 T CA -0.449 61.635 62.100 -0.027 0.000 1.015 256 T CB 2.307 71.125 68.868 -0.084 0.000 1.044 256 T HN 0.541 nan 8.240 nan 0.000 0.520 257 I N 1.670 122.233 120.570 -0.012 0.000 2.698 257 I HA 0.311 4.483 4.170 0.004 0.000 0.307 257 I C -0.783 175.429 176.117 0.159 0.000 1.659 257 I CA -0.257 61.062 61.300 0.032 0.000 0.769 257 I CB 0.412 38.258 38.000 -0.256 0.000 1.928 257 I HN 0.615 nan 8.210 nan 0.000 0.550 258 L N 1.028 122.364 121.223 0.189 0.000 2.463 258 L HA 0.705 5.047 4.340 0.004 0.000 0.208 258 L C 1.287 178.333 176.870 0.293 0.000 1.082 258 L CA 1.335 56.312 54.840 0.228 0.000 0.997 258 L CB -0.467 41.657 42.059 0.108 0.000 1.953 258 L HN 0.262 nan 8.230 nan 0.000 0.499 259 G N -0.260 108.777 108.800 0.394 0.000 2.716 259 G HA2 0.415 4.377 3.960 0.004 0.000 0.251 259 G HA3 0.415 4.377 3.960 0.004 0.000 0.251 259 G C -0.201 175.112 174.900 0.688 0.000 1.224 259 G CA 0.314 45.886 45.100 0.785 0.000 0.891 259 G HN 0.897 nan 8.290 nan 0.000 0.561 260 G N -1.659 106.866 108.800 -0.458 0.000 1.974 260 G HA2 0.518 4.480 3.960 0.004 0.000 0.303 260 G HA3 0.518 4.480 3.960 0.004 0.000 0.303 260 G C -0.364 173.700 174.900 -1.394 0.000 2.080 260 G CA -0.026 44.295 45.100 -1.299 0.000 0.896 260 G HN 0.893 nan 8.290 nan 0.000 0.514 261 F N 1.029 120.127 119.950 -1.420 0.000 2.496 261 F HA -0.245 4.284 4.527 0.004 0.000 0.768 261 F C 0.926 176.230 175.800 -0.827 0.000 0.485 261 F CA 0.738 58.226 58.000 -0.853 0.000 0.845 261 F CB -1.132 37.518 39.000 -0.584 0.000 1.663 261 F HN 1.420 nan 8.300 nan 0.000 0.282 262 H N 1.080 119.847 119.070 -0.505 0.000 3.477 262 H HA -0.119 4.439 4.556 0.004 0.000 0.272 262 H C -2.737 172.554 175.328 -0.062 0.000 0.716 262 H CA 0.308 56.254 56.048 -0.170 0.000 0.816 262 H CB -1.410 28.408 29.762 0.093 0.000 1.403 262 H HN 0.174 nan 8.280 nan 0.000 0.299 263 P HA -0.359 nan 4.420 nan 0.000 0.222 263 P C 1.793 178.924 177.300 -0.282 0.000 1.157 263 P CA 2.594 65.577 63.100 -0.195 0.000 0.905 263 P CB -0.067 31.594 31.700 -0.066 0.000 0.792 264 Q N -0.326 119.357 119.800 -0.194 0.000 1.985 264 Q HA -0.197 4.145 4.340 0.004 0.000 0.207 264 Q C 2.080 178.046 176.000 -0.057 0.000 0.996 264 Q CA 3.366 59.132 55.803 -0.062 0.000 0.851 264 Q CB -0.822 28.134 28.738 0.363 0.000 0.921 264 Q HN 0.322 nan 8.270 nan 0.000 0.418 265 T N -1.630 112.803 114.554 -0.202 0.000 2.833 265 T HA -0.176 4.176 4.350 0.004 0.000 0.269 265 T C 1.085 175.830 174.700 0.074 0.000 1.054 265 T CA 1.157 63.331 62.100 0.124 0.000 1.135 265 T CB -0.126 68.572 68.868 -0.282 0.000 0.869 265 T HN 0.476 nan 8.240 nan 0.000 0.466 266 Q N 0.041 119.652 119.800 -0.315 0.000 2.416 266 Q HA -0.155 4.187 4.340 0.004 0.000 0.235 266 Q C -0.873 174.744 176.000 -0.639 0.000 0.773 266 Q CA 0.994 56.505 55.803 -0.486 0.000 1.286 266 Q CB -1.832 26.750 28.738 -0.260 0.000 1.556 266 Q HN 0.700 nan 8.270 nan 0.000 0.650 267 S N 0.211 115.765 115.700 -0.244 0.000 2.689 267 S HA 0.320 4.792 4.470 0.004 0.000 0.274 267 S C -0.028 174.687 174.600 0.193 0.000 1.176 267 S CA -0.803 57.440 58.200 0.071 0.000 1.014 267 S CB 1.506 64.696 63.200 -0.017 0.000 1.071 267 S HN 0.322 nan 8.310 nan 0.000 0.478 268 L N 4.094 125.471 121.223 0.256 0.000 3.819 268 L HA -0.145 4.198 4.340 0.004 0.000 0.439 268 L C 0.125 177.063 176.870 0.114 0.000 0.914 268 L CA 0.844 55.662 54.840 -0.037 0.000 0.756 268 L CB -0.275 41.756 42.059 -0.047 0.000 1.225 268 L HN 0.838 nan 8.230 nan 0.000 0.806 269 W N 4.891 126.205 121.300 0.023 0.000 2.181 269 W HA 0.310 4.972 4.660 0.004 0.000 0.335 269 W C -0.143 176.435 176.519 0.099 0.000 1.310 269 W CA -1.641 55.757 57.345 0.087 0.000 1.226 269 W CB -0.212 29.364 29.460 0.195 0.000 1.155 269 W HN 0.273 nan 8.180 nan 0.000 0.565 270 L N 5.290 126.742 121.223 0.381 0.000 2.485 270 L HA 0.045 4.387 4.340 0.004 0.000 0.275 270 L C 1.533 178.485 176.870 0.135 0.000 1.207 270 L CA 1.392 56.384 54.840 0.254 0.000 0.855 270 L CB 0.641 42.898 42.059 0.330 0.000 1.114 270 L HN 1.010 nan 8.230 nan 0.000 0.485 271 T N -1.101 113.499 114.554 0.076 0.000 5.221 271 T HA -0.229 4.124 4.350 0.004 0.000 0.299 271 T C 0.506 175.224 174.700 0.029 0.000 1.489 271 T CA 1.182 63.286 62.100 0.006 0.000 2.593 271 T CB -1.532 67.308 68.868 -0.046 0.000 1.859 271 T HN 0.802 nan 8.240 nan 0.000 0.982 272 D N -0.370 120.088 120.400 0.096 0.000 2.402 272 D HA 0.371 5.014 4.640 0.004 0.000 0.216 272 D C 1.021 177.434 176.300 0.188 0.000 1.128 272 D CA 0.027 54.108 54.000 0.135 0.000 0.833 272 D CB 0.495 41.407 40.800 0.186 0.000 0.971 272 D HN 0.515 nan 8.370 nan 0.000 0.503 273 V N 0.495 120.511 119.914 0.171 0.000 3.252 273 V HA 0.288 4.410 4.120 0.004 0.000 0.320 273 V C 1.657 177.892 176.094 0.236 0.000 1.459 273 V CA 0.456 62.871 62.300 0.192 0.000 1.095 273 V CB 0.876 32.769 31.823 0.116 0.000 0.997 273 V HN 0.174 nan 8.190 nan 0.000 0.469 274 A N -0.795 122.101 122.820 0.127 0.000 2.081 274 A HA -0.063 4.259 4.320 0.004 0.000 0.214 274 A C 1.997 179.604 177.584 0.038 0.000 1.158 274 A CA 1.117 53.160 52.037 0.011 0.000 0.724 274 A CB -0.427 18.513 19.000 -0.100 0.000 0.826 274 A HN 0.605 nan 8.150 nan 0.000 0.463 275 H N -0.852 118.216 119.070 -0.003 0.000 2.415 275 H HA -0.102 4.456 4.556 0.004 0.000 0.297 275 H C 1.983 177.326 175.328 0.025 0.000 1.048 275 H CA 1.546 57.584 56.048 -0.017 0.000 1.365 275 H CB -0.354 29.404 29.762 -0.005 0.000 1.421 275 H HN 0.672 nan 8.280 nan 0.000 0.533 276 H N 1.595 120.756 119.070 0.152 0.000 2.253 276 H HA -0.150 4.408 4.556 0.004 0.000 0.296 276 H C 0.021 175.258 175.328 -0.152 0.000 1.074 276 H CA 1.583 57.621 56.048 -0.016 0.000 1.263 276 H CB -0.882 28.807 29.762 -0.121 0.000 1.363 276 H HN 0.425 nan 8.280 nan 0.000 0.489 277 H N 0.371 119.812 119.070 0.618 0.000 3.205 277 H HA 0.335 4.893 4.556 0.004 0.000 0.262 277 H C 0.129 175.464 175.328 0.012 0.000 1.333 277 H CA 0.526 56.777 56.048 0.338 0.000 1.499 277 H CB 0.030 30.037 29.762 0.408 0.000 1.609 277 H HN 0.305 nan 8.280 nan 0.000 0.498 278 L N 1.789 122.969 121.223 -0.071 0.000 0.896 278 L HA 0.077 4.419 4.340 0.004 0.000 0.502 278 L C 0.537 177.227 176.870 -0.300 0.000 0.802 278 L CA 0.788 55.511 54.840 -0.194 0.000 1.700 278 L CB -0.826 41.140 42.059 -0.155 0.000 1.357 278 L HN 0.601 nan 8.230 nan 0.000 0.328 279 A N -0.620 121.971 122.820 -0.381 0.000 1.773 279 A HA 0.327 4.649 4.320 0.004 0.000 0.210 279 A C 1.623 178.932 177.584 -0.458 0.000 1.775 279 A CA 0.527 52.393 52.037 -0.285 0.000 1.157 279 A CB -0.281 18.590 19.000 -0.216 0.000 1.119 279 A HN 0.418 nan 8.150 nan 0.000 0.501 280 I N -0.361 119.907 120.570 -0.502 0.000 2.103 280 I HA -0.300 3.872 4.170 0.004 0.000 0.241 280 I C 2.342 178.068 176.117 -0.652 0.000 1.036 280 I CA 2.178 63.146 61.300 -0.552 0.000 1.300 280 I CB -1.283 36.411 38.000 -0.510 0.000 1.010 280 I HN 0.366 nan 8.210 nan 0.000 0.406 281 A N 2.269 124.708 122.820 -0.635 0.000 1.883 281 A HA -0.359 3.963 4.320 0.004 0.000 0.269 281 A C 2.027 179.302 177.584 -0.514 0.000 2.559 281 A CA 3.340 54.986 52.037 -0.652 0.000 0.908 281 A CB -1.949 16.429 19.000 -1.036 0.000 0.807 281 A HN 0.694 nan 8.150 nan 0.000 0.505 282 F N -1.429 118.429 119.950 -0.152 0.000 2.192 282 F HA -0.087 4.442 4.527 0.003 0.000 0.301 282 F C 1.304 177.017 175.800 -0.146 0.000 1.079 282 F CA 0.505 58.439 58.000 -0.110 0.000 1.303 282 F CB -0.473 38.464 39.000 -0.104 0.000 1.024 282 F HN 0.138 nan 8.300 nan 0.000 0.494 283 L N 0.251 121.376 121.223 -0.163 0.000 2.821 283 L HA 0.051 4.393 4.340 0.004 0.000 0.239 283 L C -0.471 175.974 176.870 -0.708 0.000 1.391 283 L CA 0.682 55.334 54.840 -0.314 0.000 1.231 283 L CB -1.554 40.302 42.059 -0.338 0.000 1.598 283 L HN 0.059 nan 8.230 nan 0.000 0.428 284 F N -2.398 117.543 119.950 -0.015 0.000 2.370 284 F HA 0.132 4.661 4.527 0.003 0.000 0.356 284 F C 1.231 177.056 175.800 0.040 0.000 0.820 284 F CA -0.675 57.329 58.000 0.007 0.000 1.018 284 F CB -0.505 38.503 39.000 0.013 0.000 1.050 284 F HN -0.190 nan 8.300 nan 0.000 0.646 285 L N 2.968 124.310 121.223 0.198 0.000 3.084 285 L HA 0.047 4.389 4.340 0.004 0.000 0.266 285 L C -0.435 176.524 176.870 0.147 0.000 1.149 285 L CA 0.684 55.623 54.840 0.165 0.000 0.931 285 L CB -1.199 40.962 42.059 0.169 0.000 1.211 285 L HN 0.245 nan 8.230 nan 0.000 0.428 286 I N -3.356 117.290 120.570 0.126 0.000 2.667 286 I HA 0.653 4.825 4.170 0.004 0.000 0.288 286 I C 0.403 176.573 176.117 0.089 0.000 1.267 286 I CA -0.088 61.264 61.300 0.086 0.000 1.055 286 I CB 1.590 39.627 38.000 0.062 0.000 1.294 286 I HN 0.018 nan 8.210 nan 0.000 0.429 287 G N 3.719 112.548 108.800 0.049 0.000 2.157 287 G HA2 -0.100 3.863 3.960 0.004 0.000 0.248 287 G HA3 -0.100 3.863 3.960 0.004 0.000 0.248 287 G C 0.665 175.631 174.900 0.110 0.000 0.979 287 G CA 0.165 45.289 45.100 0.039 0.000 0.650 287 G HN 1.721 nan 8.290 nan 0.000 0.529 288 G N -0.910 107.967 108.800 0.128 0.000 2.958 288 G HA2 0.469 4.431 3.960 0.004 0.000 0.225 288 G HA3 0.469 4.431 3.960 0.004 0.000 0.225 288 G C 0.564 175.551 174.900 0.145 0.000 1.036 288 G CA 0.401 45.604 45.100 0.171 0.000 0.880 288 G HN 0.564 nan 8.290 nan 0.000 0.557 289 L N 0.817 122.103 121.223 0.104 0.000 3.209 289 L HA 0.487 4.829 4.340 0.004 0.000 0.279 289 L C 1.676 178.578 176.870 0.054 0.000 1.301 289 L CA 0.085 54.990 54.840 0.109 0.000 1.004 289 L CB 0.813 42.928 42.059 0.095 0.000 1.402 289 L HN 0.108 nan 8.230 nan 0.000 0.577 290 M N -1.154 118.417 119.600 -0.050 0.000 2.394 290 M HA -0.089 4.393 4.480 0.004 0.000 0.264 290 M C 0.621 176.689 176.300 -0.387 0.000 1.073 290 M CA 2.036 57.123 55.300 -0.355 0.000 1.111 290 M CB 0.249 32.364 32.600 -0.808 0.000 1.401 290 M HN 0.366 nan 8.290 nan 0.000 0.448 291 Y N -1.500 118.916 120.300 0.193 0.000 2.977 291 Y HA 0.427 4.979 4.550 0.003 0.000 0.130 291 Y C 0.067 176.049 175.900 0.138 0.000 0.885 291 Y CA -0.879 57.327 58.100 0.176 0.000 1.879 291 Y CB 0.546 39.097 38.460 0.151 0.000 1.258 291 Y HN -0.195 nan 8.280 nan 0.000 0.284 292 R N -0.465 120.231 120.500 0.325 0.000 2.664 292 R HA 0.568 4.910 4.340 0.004 0.000 0.266 292 R C -1.846 174.571 176.300 0.195 0.000 1.046 292 R CA -0.547 55.689 56.100 0.226 0.000 0.885 292 R CB 2.254 32.648 30.300 0.157 0.000 1.254 292 R HN 0.381 nan 8.270 nan 0.000 0.465 293 T N 0.267 114.922 114.554 0.168 0.000 3.348 293 T HA 0.411 4.763 4.350 0.004 0.000 0.328 293 T C -0.183 174.308 174.700 -0.350 0.000 0.913 293 T CA -0.860 61.218 62.100 -0.037 0.000 1.043 293 T CB 0.510 69.367 68.868 -0.018 0.000 1.021 293 T HN 0.788 nan 8.240 nan 0.000 0.461 294 N N 1.592 120.115 118.700 -0.295 0.000 2.200 294 N HA -0.237 4.505 4.740 0.004 0.000 0.214 294 N C 0.727 176.127 175.510 -0.183 0.000 0.731 294 N CA 1.306 54.113 53.050 -0.405 0.000 1.494 294 N CB -1.673 36.340 38.487 -0.789 0.000 1.658 294 N HN 0.765 nan 8.380 nan 0.000 0.374 295 F N 0.763 120.728 119.950 0.025 0.000 3.016 295 F HA -0.278 4.251 4.527 0.003 0.000 0.342 295 F C 1.594 177.404 175.800 0.015 0.000 0.692 295 F CA 1.984 59.998 58.000 0.024 0.000 0.852 295 F CB -1.655 37.365 39.000 0.033 0.000 1.424 295 F HN 0.970 nan 8.300 nan 0.000 0.316 296 G N 0.564 109.456 108.800 0.152 0.000 2.187 296 G HA2 -0.261 3.701 3.960 0.004 0.000 0.261 296 G HA3 -0.261 3.701 3.960 0.004 0.000 0.261 296 G C -0.259 174.680 174.900 0.065 0.000 1.000 296 G CA 0.470 45.621 45.100 0.085 0.000 0.718 296 G HN 0.579 nan 8.290 nan 0.000 0.519 297 I N 0.089 120.713 120.570 0.090 0.000 2.512 297 I HA 0.691 4.864 4.170 0.004 0.000 0.287 297 I C 0.310 176.445 176.117 0.030 0.000 1.069 297 I CA 0.706 62.028 61.300 0.037 0.000 1.056 297 I CB 1.570 39.591 38.000 0.035 0.000 1.229 297 I HN 1.667 nan 8.210 nan 0.000 0.429 298 G N 4.628 113.387 108.800 -0.068 0.000 2.663 298 G HA2 -0.109 3.853 3.960 0.004 0.000 0.686 298 G HA3 -0.109 3.853 3.960 0.004 0.000 0.686 298 G C -1.010 173.864 174.900 -0.043 0.000 1.288 298 G CA -0.813 44.230 45.100 -0.095 0.000 0.836 298 G HN 0.913 nan 8.290 nan 0.000 0.584 299 H N -0.014 119.135 119.070 0.130 0.000 2.690 299 H HA 0.476 5.034 4.556 0.004 0.000 0.365 299 H C 1.895 177.458 175.328 0.392 0.000 1.142 299 H CA 0.746 56.965 56.048 0.285 0.000 1.417 299 H CB 1.381 31.273 29.762 0.218 0.000 1.446 299 H HN 0.720 nan 8.280 nan 0.000 0.599 300 S N 1.709 117.658 115.700 0.415 0.000 2.468 300 S HA 0.115 4.588 4.470 0.004 0.000 0.226 300 S C 1.104 175.871 174.600 0.278 0.000 1.051 300 S CA 0.561 58.923 58.200 0.271 0.000 0.943 300 S CB 0.318 63.642 63.200 0.206 0.000 0.810 300 S HN 0.758 nan 8.310 nan 0.000 0.509 301 I N -0.272 120.507 120.570 0.349 0.000 4.877 301 I HA -0.476 3.696 4.170 0.004 0.000 0.052 301 I C 1.319 177.587 176.117 0.252 0.000 0.733 301 I CA 1.012 62.472 61.300 0.266 0.000 0.243 301 I CB -1.365 36.738 38.000 0.172 0.000 0.440 301 I HN 0.181 nan 8.210 nan 0.000 0.170 302 K N -0.775 119.756 120.400 0.218 0.000 10.351 302 K HA -0.324 3.998 4.320 0.004 0.000 0.513 302 K C 1.154 177.834 176.600 0.133 0.000 0.469 302 K CA 3.140 59.514 56.287 0.145 0.000 1.787 302 K CB -1.654 30.916 32.500 0.116 0.000 0.832 302 K HN 0.662 nan 8.250 nan 0.000 1.184 303 Y N 0.987 121.350 120.300 0.104 0.000 2.544 303 Y HA 0.162 4.715 4.550 0.004 0.000 0.286 303 Y C 2.366 178.363 175.900 0.161 0.000 1.141 303 Y CA 0.789 58.955 58.100 0.110 0.000 1.299 303 Y CB -0.053 38.456 38.460 0.082 0.000 1.030 303 Y HN 0.287 nan 8.280 nan 0.000 0.543 304 I N -0.609 120.149 120.570 0.314 0.000 2.121 304 I HA -0.408 3.764 4.170 0.004 0.000 0.243 304 I C 1.189 177.475 176.117 0.281 0.000 1.047 304 I CA 1.562 63.040 61.300 0.296 0.000 1.308 304 I CB -0.066 38.068 38.000 0.224 0.000 1.015 304 I HN 0.145 nan 8.210 nan 0.000 0.410 305 L N -0.328 120.998 121.223 0.173 0.000 2.564 305 L HA -0.039 4.303 4.340 0.004 0.000 0.158 305 L C 2.111 179.027 176.870 0.077 0.000 1.506 305 L CA 0.855 55.780 54.840 0.141 0.000 3.117 305 L CB -1.125 40.960 42.059 0.044 0.000 2.996 305 L HN 0.134 nan 8.230 nan 0.000 0.992 306 E N -0.216 119.943 120.200 -0.067 0.000 2.681 306 E HA -0.391 3.961 4.350 0.004 0.000 0.269 306 E C 1.325 177.785 176.600 -0.233 0.000 1.287 306 E CA 1.394 57.652 56.400 -0.236 0.000 0.949 306 E CB 0.049 29.461 29.700 -0.480 0.000 0.774 306 E HN 0.565 nan 8.360 nan 0.000 0.436 307 A N -0.455 122.345 122.820 -0.034 0.000 2.010 307 A HA -0.003 4.319 4.320 0.004 0.000 0.210 307 A C 1.720 179.426 177.584 0.202 0.000 1.479 307 A CA 0.530 52.677 52.037 0.183 0.000 0.748 307 A CB -0.405 18.838 19.000 0.405 0.000 1.125 307 A HN 0.326 nan 8.150 nan 0.000 0.522 308 H N 1.262 120.410 119.070 0.131 0.000 2.574 308 H HA 0.034 4.592 4.556 0.003 0.000 0.277 308 H C 1.554 176.969 175.328 0.145 0.000 1.058 308 H CA 0.102 56.224 56.048 0.123 0.000 1.171 308 H CB -0.231 29.606 29.762 0.124 0.000 1.304 308 H HN 0.451 nan 8.280 nan 0.000 0.620 309 I N 0.862 121.586 120.570 0.256 0.000 2.502 309 I HA -0.056 4.116 4.170 0.004 0.000 0.258 309 I C -1.677 174.451 176.117 0.019 0.000 1.172 309 I CA 0.347 61.726 61.300 0.131 0.000 1.430 309 I CB -1.282 36.654 38.000 -0.107 0.000 1.086 309 I HN 0.057 nan 8.210 nan 0.000 0.440 310 P HA 0.107 nan 4.420 nan 0.000 0.268 310 P C -2.454 174.915 177.300 0.116 0.000 1.204 310 P CA -1.243 61.932 63.100 0.124 0.000 0.768 310 P CB -0.730 31.072 31.700 0.171 0.000 0.842 311 P HA 0.132 nan 4.420 nan 0.000 0.257 311 P C 0.246 177.555 177.300 0.015 0.000 1.227 311 P CA 0.893 64.021 63.100 0.046 0.000 0.981 311 P CB -0.417 31.303 31.700 0.034 0.000 1.044 312 G N 1.233 110.039 108.800 0.011 0.000 2.376 312 G HA2 0.471 4.433 3.960 0.004 0.000 0.302 312 G HA3 0.471 4.433 3.960 0.004 0.000 0.302 312 G C -0.416 174.473 174.900 -0.019 0.000 1.586 312 G CA 0.198 45.283 45.100 -0.025 0.000 0.907 312 G HN 0.545 nan 8.290 nan 0.000 0.655 313 G N -0.346 108.439 108.800 -0.025 0.000 2.963 313 G HA2 0.266 4.228 3.960 0.004 0.000 0.262 313 G HA3 0.266 4.228 3.960 0.004 0.000 0.262 313 G C 0.221 175.119 174.900 -0.002 0.000 1.043 313 G CA 0.546 45.634 45.100 -0.020 0.000 1.223 313 G HN 1.772 nan 8.290 nan 0.000 0.574 314 R N 0.355 120.854 120.500 -0.002 0.000 2.613 314 R HA 0.624 4.967 4.340 0.004 0.000 0.361 314 R C 0.786 177.083 176.300 -0.004 0.000 1.072 314 R CA 0.805 56.905 56.100 0.001 0.000 1.089 314 R CB -0.469 29.835 30.300 0.006 0.000 1.343 314 R HN 1.135 nan 8.270 nan 0.000 0.571 315 L N -5.656 115.560 121.223 -0.012 0.000 2.951 315 L HA 0.719 5.061 4.340 0.004 0.000 0.230 315 L C 1.010 177.862 176.870 -0.030 0.000 0.840 315 L CA -0.665 54.166 54.840 -0.016 0.000 1.377 315 L CB -0.593 41.458 42.059 -0.013 0.000 1.599 315 L HN 0.013 nan 8.230 nan 0.000 0.447 316 G N 0.712 109.490 108.800 -0.036 0.000 2.536 316 G HA2 -0.271 3.692 3.960 0.004 0.000 0.280 316 G HA3 -0.271 3.692 3.960 0.004 0.000 0.280 316 G C 0.536 175.397 174.900 -0.065 0.000 1.152 316 G CA 1.334 46.401 45.100 -0.055 0.000 0.970 316 G HN 1.118 nan 8.290 nan 0.000 0.549 317 R N 0.291 120.734 120.500 -0.095 0.000 2.412 317 R HA 0.488 4.830 4.340 0.004 0.000 0.212 317 R C 1.450 177.683 176.300 -0.111 0.000 0.878 317 R CA 0.948 56.985 56.100 -0.105 0.000 1.022 317 R CB -0.038 30.176 30.300 -0.144 0.000 1.265 317 R HN 2.398 nan 8.270 nan 0.000 0.620 318 G N 2.839 111.552 108.800 -0.145 0.000 2.292 318 G HA2 -0.272 3.690 3.960 0.004 0.000 0.221 318 G HA3 -0.272 3.690 3.960 0.004 0.000 0.221 318 G C -0.137 174.735 174.900 -0.047 0.000 0.657 318 G CA 0.668 45.709 45.100 -0.098 0.000 1.036 318 G HN 0.653 nan 8.290 nan 0.000 0.309 319 H N 1.206 120.269 119.070 -0.010 0.000 2.456 319 H HA -0.059 4.500 4.556 0.004 0.000 0.296 319 H C 2.042 177.349 175.328 -0.036 0.000 1.079 319 H CA 0.820 56.860 56.048 -0.012 0.000 1.322 319 H CB 0.157 29.916 29.762 -0.005 0.000 1.388 319 H HN 0.675 nan 8.280 nan 0.000 0.538 320 K N 1.352 121.783 120.400 0.051 0.000 4.478 320 K HA -0.226 4.096 4.320 0.004 0.000 0.268 320 K C -0.063 176.524 176.600 -0.021 0.000 0.711 320 K CA 0.687 56.955 56.287 -0.032 0.000 0.607 320 K CB -1.530 30.944 32.500 -0.042 0.000 2.082 320 K HN 0.616 nan 8.250 nan 0.000 0.394 321 G N 1.270 110.062 108.800 -0.013 0.000 3.284 321 G HA2 -0.231 3.732 3.960 0.004 0.000 0.665 321 G HA3 -0.231 3.732 3.960 0.004 0.000 0.665 321 G C 0.060 174.951 174.900 -0.015 0.000 0.894 321 G CA -0.243 44.841 45.100 -0.026 0.000 0.838 321 G HN 0.389 nan 8.290 nan 0.000 0.501 322 L N 3.880 125.083 121.223 -0.034 0.000 2.255 322 L HA 0.392 4.734 4.340 0.004 0.000 0.196 322 L C 2.288 179.141 176.870 -0.029 0.000 1.202 322 L CA 2.217 57.022 54.840 -0.057 0.000 0.819 322 L CB -1.161 40.823 42.059 -0.126 0.000 1.006 322 L HN 1.362 nan 8.230 nan 0.000 0.480 323 Y N 0.549 120.701 120.300 -0.247 0.000 2.686 323 Y HA -0.445 4.107 4.550 0.003 0.000 0.483 323 Y C 1.033 176.792 175.900 -0.236 0.000 1.027 323 Y CA 2.124 60.084 58.100 -0.234 0.000 3.093 323 Y CB -1.728 36.637 38.460 -0.158 0.000 0.994 323 Y HN 0.468 nan 8.280 nan 0.000 0.586 324 D N 1.100 121.672 120.400 0.286 0.000 2.911 324 D HA 0.171 4.813 4.640 0.004 0.000 0.233 324 D C 0.881 177.161 176.300 -0.033 0.000 1.134 324 D CA 1.242 55.321 54.000 0.133 0.000 1.011 324 D CB -0.050 40.741 40.800 -0.015 0.000 1.174 324 D HN 0.608 nan 8.370 nan 0.000 0.440 325 T N -0.921 113.557 114.554 -0.126 0.000 3.709 325 T HA -0.059 4.294 4.350 0.004 0.000 0.211 325 T C 1.423 175.838 174.700 -0.476 0.000 0.778 325 T CA -0.364 61.572 62.100 -0.274 0.000 1.032 325 T CB -0.389 68.280 68.868 -0.332 0.000 0.952 325 T HN 0.163 nan 8.240 nan 0.000 0.338 326 I N 2.277 122.327 120.570 -0.866 0.000 2.361 326 I HA 0.022 4.194 4.170 0.004 0.000 0.251 326 I C 1.703 177.539 176.117 -0.468 0.000 1.133 326 I CA 1.708 62.361 61.300 -1.079 0.000 1.413 326 I CB -0.069 37.278 38.000 -1.088 0.000 1.073 326 I HN 0.212 nan 8.210 nan 0.000 0.424 327 N N 0.321 118.794 118.700 -0.378 0.000 2.409 327 N HA -0.067 4.675 4.740 0.004 0.000 0.174 327 N C 1.410 176.908 175.510 -0.020 0.000 1.037 327 N CA 0.610 53.543 53.050 -0.196 0.000 0.898 327 N CB -0.125 38.215 38.487 -0.245 0.000 1.010 327 N HN 0.424 nan 8.380 nan 0.000 0.445 328 N N -0.046 118.643 118.700 -0.018 0.000 2.258 328 N HA -0.057 4.685 4.740 0.004 0.000 0.183 328 N C 0.245 175.803 175.510 0.079 0.000 1.029 328 N CA 0.347 53.416 53.050 0.032 0.000 0.857 328 N CB -0.467 38.022 38.487 0.004 0.000 1.008 328 N HN -0.039 nan 8.380 nan 0.000 0.433 329 S N 1.541 117.271 115.700 0.050 0.000 2.498 329 S HA 0.194 4.666 4.470 0.004 0.000 0.314 329 S C 1.648 176.393 174.600 0.241 0.000 1.141 329 S CA -0.369 57.931 58.200 0.167 0.000 1.087 329 S CB -0.636 62.706 63.200 0.237 0.000 1.178 329 S HN 0.107 nan 8.310 nan 0.000 0.533 330 I N 4.020 124.717 120.570 0.212 0.000 2.064 330 I HA -0.233 3.939 4.170 0.004 0.000 0.234 330 I C 1.087 177.354 176.117 0.250 0.000 1.019 330 I CA 1.182 62.574 61.300 0.153 0.000 1.301 330 I CB -0.556 37.468 38.000 0.040 0.000 1.017 330 I HN 0.720 nan 8.210 nan 0.000 0.392 331 H N 0.857 119.953 119.070 0.044 0.000 3.203 331 H HA -0.188 4.370 4.556 0.003 0.000 0.288 331 H C 0.260 175.742 175.328 0.257 0.000 0.908 331 H CA 1.121 57.191 56.048 0.038 0.000 1.389 331 H CB 0.200 29.948 29.762 -0.023 0.000 1.294 331 H HN 0.394 nan 8.280 nan 0.000 0.559 332 F N -1.057 118.968 119.950 0.125 0.000 2.360 332 F HA -0.268 4.261 4.527 0.003 0.000 0.703 332 F C 0.869 176.661 175.800 -0.013 0.000 0.488 332 F CA 0.531 58.569 58.000 0.064 0.000 1.270 332 F CB -0.551 38.479 39.000 0.049 0.000 2.052 332 F HN 0.482 nan 8.300 nan 0.000 0.268 333 Q N 2.651 122.562 119.800 0.185 0.000 3.179 333 Q HA 0.429 4.771 4.340 0.004 0.000 0.328 333 Q C 0.334 176.321 176.000 -0.023 0.000 1.336 333 Q CA 0.480 56.306 55.803 0.038 0.000 0.939 333 Q CB 0.496 29.235 28.738 0.001 0.000 1.658 333 Q HN 0.434 nan 8.270 nan 0.000 0.486 334 L N -1.782 119.431 121.223 -0.018 0.000 1.250 334 L HA -0.076 4.267 4.340 0.004 0.000 0.499 334 L C 0.840 177.703 176.870 -0.013 0.000 0.785 334 L CA 1.045 55.866 54.840 -0.032 0.000 2.094 334 L CB -1.128 40.880 42.059 -0.086 0.000 1.247 334 L HN 0.445 nan 8.230 nan 0.000 0.452 335 G N -0.190 108.605 108.800 -0.008 0.000 2.497 335 G HA2 0.179 4.141 3.960 0.004 0.000 0.210 335 G HA3 0.179 4.141 3.960 0.004 0.000 0.210 335 G C 0.896 175.731 174.900 -0.109 0.000 1.177 335 G CA 0.771 45.816 45.100 -0.091 0.000 0.822 335 G HN 0.125 nan 8.290 nan 0.000 0.550 336 L N 0.553 121.759 121.223 -0.028 0.000 2.808 336 L HA 0.505 4.847 4.340 0.004 0.000 0.246 336 L C 1.552 178.393 176.870 -0.049 0.000 1.153 336 L CA -0.410 54.402 54.840 -0.047 0.000 0.956 336 L CB -0.074 41.991 42.059 0.010 0.000 1.270 336 L HN 0.256 nan 8.230 nan 0.000 0.528 337 A N -0.046 122.744 122.820 -0.050 0.000 2.713 337 A HA 0.504 4.827 4.320 0.004 0.000 0.296 337 A C 1.016 178.552 177.584 -0.080 0.000 1.255 337 A CA 0.017 52.017 52.037 -0.062 0.000 0.955 337 A CB -0.166 18.796 19.000 -0.064 0.000 1.149 337 A HN 0.177 nan 8.150 nan 0.000 0.538 338 L N -3.926 117.243 121.223 -0.091 0.000 2.730 338 L HA 0.494 4.836 4.340 0.004 0.000 0.236 338 L C 2.030 178.839 176.870 -0.103 0.000 1.061 338 L CA 1.009 55.794 54.840 -0.092 0.000 0.898 338 L CB -1.654 40.345 42.059 -0.100 0.000 1.270 338 L HN 0.077 nan 8.230 nan 0.000 0.500 339 A N 0.540 123.277 122.820 -0.139 0.000 2.023 339 A HA -0.231 4.091 4.320 0.004 0.000 0.223 339 A C 2.202 179.705 177.584 -0.134 0.000 1.180 339 A CA 2.826 54.749 52.037 -0.190 0.000 0.659 339 A CB -0.737 18.125 19.000 -0.229 0.000 0.817 339 A HN 0.594 nan 8.150 nan 0.000 0.466 340 S N -2.349 113.298 115.700 -0.088 0.000 2.663 340 S HA 0.132 4.604 4.470 0.004 0.000 0.247 340 S C 1.059 175.632 174.600 -0.044 0.000 1.074 340 S CA 0.234 58.398 58.200 -0.061 0.000 0.955 340 S CB 0.043 63.214 63.200 -0.048 0.000 0.901 340 S HN 0.542 nan 8.310 nan 0.000 0.505 341 L N 3.571 124.768 121.223 -0.043 0.000 2.675 341 L HA 0.348 4.690 4.340 0.004 0.000 0.238 341 L C 1.300 178.142 176.870 -0.047 0.000 1.155 341 L CA 0.379 55.198 54.840 -0.035 0.000 0.881 341 L CB -1.508 40.532 42.059 -0.032 0.000 1.008 341 L HN 0.195 nan 8.230 nan 0.000 0.443 342 G N -0.145 108.621 108.800 -0.057 0.000 2.707 342 G HA2 -0.083 3.879 3.960 0.004 0.000 0.192 342 G HA3 -0.083 3.879 3.960 0.004 0.000 0.192 342 G C 1.324 176.196 174.900 -0.047 0.000 1.471 342 G CA 1.522 46.589 45.100 -0.055 0.000 0.865 342 G HN 0.216 nan 8.290 nan 0.000 0.529 343 V N 2.507 122.395 119.914 -0.043 0.000 2.279 343 V HA -0.443 3.679 4.120 0.004 0.000 0.258 343 V C 2.833 178.897 176.094 -0.049 0.000 1.078 343 V CA 3.073 65.350 62.300 -0.038 0.000 1.096 343 V CB -1.429 30.379 31.823 -0.024 0.000 0.740 343 V HN 0.709 nan 8.190 nan 0.000 0.465 344 I N 1.266 121.811 120.570 -0.042 0.000 2.103 344 I HA -0.398 3.774 4.170 0.004 0.000 0.241 344 I C 2.595 178.669 176.117 -0.072 0.000 1.036 344 I CA 3.325 64.598 61.300 -0.045 0.000 1.300 344 I CB -1.276 36.712 38.000 -0.020 0.000 1.010 344 I HN 0.616 nan 8.210 nan 0.000 0.406 345 T N -1.833 112.677 114.554 -0.073 0.000 2.755 345 T HA -0.287 4.065 4.350 0.004 0.000 0.266 345 T C 1.923 176.550 174.700 -0.121 0.000 1.041 345 T CA 2.100 64.141 62.100 -0.098 0.000 1.147 345 T CB -0.958 67.863 68.868 -0.078 0.000 0.847 345 T HN 0.541 nan 8.240 nan 0.000 0.478 346 S N 0.002 115.635 115.700 -0.112 0.000 2.468 346 S HA 0.301 4.773 4.470 0.004 0.000 0.226 346 S C 1.427 175.939 174.600 -0.148 0.000 1.051 346 S CA -0.240 57.888 58.200 -0.120 0.000 0.943 346 S CB -0.147 63.007 63.200 -0.076 0.000 0.810 346 S HN 0.299 nan 8.310 nan 0.000 0.509 347 L N 1.074 122.187 121.223 -0.183 0.000 2.599 347 L HA 0.255 4.597 4.340 0.004 0.000 0.230 347 L C 1.524 178.089 176.870 -0.510 0.000 1.141 347 L CA 0.598 55.197 54.840 -0.402 0.000 0.877 347 L CB -0.035 41.884 42.059 -0.233 0.000 1.009 347 L HN 0.195 nan 8.230 nan 0.000 0.447 348 V N -1.006 118.764 119.914 -0.239 0.000 3.621 348 V HA 0.221 4.343 4.120 0.004 0.000 0.263 348 V C 2.063 178.105 176.094 -0.085 0.000 1.272 348 V CA 0.846 63.074 62.300 -0.120 0.000 1.080 348 V CB 0.503 32.313 31.823 -0.021 0.000 0.816 348 V HN 0.349 nan 8.190 nan 0.000 0.451 349 A N 0.077 122.796 122.820 -0.169 0.000 2.258 349 A HA 0.030 4.352 4.320 0.004 0.000 0.206 349 A C 1.663 179.233 177.584 -0.022 0.000 1.222 349 A CA 1.212 53.066 52.037 -0.305 0.000 0.822 349 A CB -0.137 18.601 19.000 -0.437 0.000 0.804 349 A HN 0.701 nan 8.150 nan 0.000 0.483 350 Q N -1.252 118.649 119.800 0.168 0.000 2.452 350 Q HA 0.035 4.377 4.340 0.004 0.000 0.190 350 Q C -0.205 175.914 176.000 0.198 0.000 0.710 350 Q CA -0.004 56.086 55.803 0.478 0.000 0.917 350 Q CB -0.332 28.754 28.738 0.579 0.000 1.282 350 Q HN 0.804 nan 8.270 nan 0.000 0.447 351 H N 2.207 121.290 119.070 0.023 0.000 3.034 351 H HA 0.172 4.730 4.556 0.003 0.000 0.324 351 H C 0.813 176.191 175.328 0.083 0.000 1.015 351 H CA 0.445 56.498 56.048 0.008 0.000 1.429 351 H CB 0.637 30.412 29.762 0.022 0.000 1.429 351 H HN 0.158 nan 8.280 nan 0.000 0.585 352 M N 1.777 121.498 119.600 0.202 0.000 3.044 352 M HA -0.261 4.222 4.480 0.004 0.000 0.220 352 M C 0.558 177.031 176.300 0.288 0.000 0.562 352 M CA 2.001 57.427 55.300 0.211 0.000 0.842 352 M CB -1.616 31.114 32.600 0.216 0.000 2.997 352 M HN 0.744 nan 8.290 nan 0.000 0.299 353 Y N -1.084 119.390 120.300 0.290 0.000 2.439 353 Y HA 0.402 4.954 4.550 0.003 0.000 0.281 353 Y C 1.942 178.037 175.900 0.326 0.000 1.145 353 Y CA 1.404 59.728 58.100 0.372 0.000 1.252 353 Y CB -0.862 37.962 38.460 0.607 0.000 1.271 353 Y HN 0.083 nan 8.280 nan 0.000 0.516 354 S N 1.947 117.051 115.700 -0.993 0.000 2.389 354 S HA -0.103 4.369 4.470 0.004 0.000 0.231 354 S C 0.434 174.909 174.600 -0.209 0.000 1.052 354 S CA 1.661 59.259 58.200 -1.004 0.000 1.053 354 S CB -0.722 62.014 63.200 -0.774 0.000 0.886 354 S HN 0.448 nan 8.310 nan 0.000 0.456 355 L N -0.686 120.508 121.223 -0.048 0.000 2.404 355 L HA 0.589 4.931 4.340 0.004 0.000 0.272 355 L C -2.672 174.290 176.870 0.154 0.000 0.980 355 L CA -2.461 52.477 54.840 0.164 0.000 0.836 355 L CB 0.355 42.448 42.059 0.057 0.000 1.238 355 L HN -0.143 nan 8.230 nan 0.000 0.408 356 P HA 0.035 nan 4.420 nan 0.000 0.296 356 P C 0.317 177.569 177.300 -0.079 0.000 1.407 356 P CA 1.430 64.596 63.100 0.109 0.000 0.793 356 P CB 0.660 32.428 31.700 0.112 0.000 1.675 357 A N -4.192 118.422 122.820 -0.342 0.000 2.374 357 A HA 0.400 4.722 4.320 0.004 0.000 0.212 357 A C -0.741 176.453 177.584 -0.651 0.000 1.747 357 A CA -0.263 51.430 52.037 -0.573 0.000 1.235 357 A CB -0.447 18.128 19.000 -0.707 0.000 0.997 357 A HN 0.505 nan 8.150 nan 0.000 0.456 358 Y N -4.929 115.423 120.300 0.087 0.000 2.852 358 Y HA 0.613 5.165 4.550 0.004 0.000 0.350 358 Y C 0.757 176.551 175.900 -0.178 0.000 1.272 358 Y CA -1.643 56.471 58.100 0.024 0.000 1.086 358 Y CB 0.063 38.611 38.460 0.146 0.000 1.408 358 Y HN 0.954 nan 8.280 nan 0.000 0.447 359 A N 0.611 123.339 122.820 -0.153 0.000 1.978 359 A HA 0.020 4.342 4.320 0.004 0.000 0.268 359 A C -0.211 176.901 177.584 -0.787 0.000 1.247 359 A CA 1.441 52.891 52.037 -0.977 0.000 0.893 359 A CB -2.711 15.609 19.000 -1.134 0.000 1.021 359 A HN 1.187 nan 8.150 nan 0.000 0.345 360 F N -3.974 115.989 119.950 0.020 0.000 2.144 360 F HA -0.211 4.318 4.527 0.003 0.000 0.487 360 F C 0.702 176.500 175.800 -0.003 0.000 1.250 360 F CA 0.484 58.466 58.000 -0.030 0.000 1.572 360 F CB -1.463 37.512 39.000 -0.043 0.000 2.498 360 F HN 0.408 nan 8.300 nan 0.000 0.729 361 I N 1.357 122.011 120.570 0.141 0.000 4.578 361 I HA 0.351 4.523 4.170 0.004 0.000 0.312 361 I C 1.953 178.067 176.117 -0.005 0.000 1.224 361 I CA 0.741 62.084 61.300 0.071 0.000 1.318 361 I CB 0.255 38.361 38.000 0.176 0.000 1.388 361 I HN 0.561 nan 8.210 nan 0.000 0.461 362 A N 1.760 124.613 122.820 0.056 0.000 1.958 362 A HA -0.261 4.061 4.320 0.004 0.000 0.221 362 A C 1.607 179.226 177.584 0.058 0.000 1.178 362 A CA 2.433 54.535 52.037 0.109 0.000 0.642 362 A CB -0.791 18.236 19.000 0.045 0.000 0.816 362 A HN 0.785 nan 8.150 nan 0.000 0.453 363 Q N -0.884 118.834 119.800 -0.136 0.000 2.553 363 Q HA 0.496 4.838 4.340 0.004 0.000 0.395 363 Q C -0.511 174.687 176.000 -1.337 0.000 0.971 363 Q CA 0.416 55.966 55.803 -0.422 0.000 1.090 363 Q CB 0.042 28.823 28.738 0.070 0.000 1.328 363 Q HN 0.466 nan 8.270 nan 0.000 0.413 364 D N 0.057 119.650 120.400 -1.345 0.000 2.463 364 D HA 0.127 4.769 4.640 0.004 0.000 0.237 364 D C -0.604 174.921 176.300 -1.293 0.000 1.013 364 D CA 0.209 53.540 54.000 -1.116 0.000 0.910 364 D CB 0.150 40.715 40.800 -0.392 0.000 1.080 364 D HN 0.327 nan 8.370 nan 0.000 0.498 365 F N 0.147 119.732 119.950 -0.608 0.000 2.970 365 F HA -0.253 4.276 4.527 0.003 0.000 0.251 365 F C 1.048 176.551 175.800 -0.496 0.000 0.993 365 F CA 0.747 58.096 58.000 -1.086 0.000 0.869 365 F CB -2.540 35.420 39.000 -1.733 0.000 0.762 365 F HN 0.043 nan 8.300 nan 0.000 0.817 366 T N -2.443 111.992 114.554 -0.199 0.000 3.207 366 T HA 0.140 4.492 4.350 0.004 0.000 0.277 366 T C 0.284 175.016 174.700 0.053 0.000 0.865 366 T CA 0.729 62.794 62.100 -0.060 0.000 0.857 366 T CB 0.186 69.113 68.868 0.098 0.000 1.240 366 T HN 0.657 nan 8.240 nan 0.000 0.618 367 T N 0.906 115.485 114.554 0.042 0.000 2.847 367 T HA 0.697 5.049 4.350 0.004 0.000 0.291 367 T C -1.085 173.702 174.700 0.145 0.000 0.998 367 T CA -0.295 61.864 62.100 0.098 0.000 0.967 367 T CB 1.379 70.314 68.868 0.111 0.000 0.954 367 T HN 0.309 nan 8.240 nan 0.000 0.441 368 Q N 1.837 121.754 119.800 0.195 0.000 2.698 368 Q HA 0.253 4.595 4.340 0.004 0.000 0.196 368 Q C 0.441 176.553 176.000 0.185 0.000 1.408 368 Q CA 0.986 56.982 55.803 0.323 0.000 0.519 368 Q CB -1.634 27.463 28.738 0.598 0.000 0.672 368 Q HN 2.381 nan 8.270 nan 0.000 0.319 369 A N 1.132 124.023 122.820 0.117 0.000 5.218 369 A HA 0.008 4.331 4.320 0.004 0.000 0.253 369 A C 1.337 178.896 177.584 -0.041 0.000 2.303 369 A CA 1.703 53.714 52.037 -0.043 0.000 0.713 369 A CB -2.139 16.803 19.000 -0.096 0.000 1.004 369 A HN 2.205 nan 8.150 nan 0.000 0.325 370 A N -0.800 121.989 122.820 -0.050 0.000 2.631 370 A HA -0.127 4.195 4.320 0.004 0.000 0.219 370 A C 1.778 179.413 177.584 0.085 0.000 1.306 370 A CA 2.620 54.679 52.037 0.038 0.000 1.012 370 A CB -1.307 17.767 19.000 0.122 0.000 0.726 370 A HN 1.705 nan 8.150 nan 0.000 0.541 371 L N -0.961 120.295 121.223 0.054 0.000 2.955 371 L HA -0.098 4.244 4.340 0.004 0.000 0.260 371 L C 1.353 178.096 176.870 -0.212 0.000 1.146 371 L CA 0.684 55.456 54.840 -0.114 0.000 0.905 371 L CB -0.661 41.328 42.059 -0.117 0.000 1.136 371 L HN 0.727 nan 8.230 nan 0.000 0.438 372 Y N -1.235 118.951 120.300 -0.189 0.000 2.893 372 Y HA -0.102 4.450 4.550 0.003 0.000 0.195 372 Y C 2.382 178.183 175.900 -0.165 0.000 0.964 372 Y CA 0.852 58.804 58.100 -0.247 0.000 1.596 372 Y CB -0.246 37.939 38.460 -0.460 0.000 1.247 372 Y HN 0.036 nan 8.280 nan 0.000 0.464 373 T N 1.335 116.120 114.554 0.386 0.000 2.567 373 T HA -0.425 3.927 4.350 0.004 0.000 0.261 373 T C 1.429 176.234 174.700 0.174 0.000 1.123 373 T CA 2.245 64.474 62.100 0.215 0.000 1.166 373 T CB -1.268 67.681 68.868 0.135 0.000 0.860 373 T HN 0.654 nan 8.240 nan 0.000 0.436 374 H N 2.335 121.511 119.070 0.176 0.000 1.689 374 H HA -0.281 4.278 4.556 0.003 0.000 0.129 374 H C 1.913 177.368 175.328 0.212 0.000 1.102 374 H CA 2.680 58.862 56.048 0.223 0.000 1.817 374 H CB -1.361 28.520 29.762 0.197 0.000 2.178 374 H HN 0.538 nan 8.280 nan 0.000 0.942 375 H N 0.229 119.240 119.070 -0.098 0.000 2.561 375 H HA -0.062 4.496 4.556 0.004 0.000 0.289 375 H C 2.349 177.566 175.328 -0.184 0.000 1.054 375 H CA 1.252 57.156 56.048 -0.239 0.000 1.210 375 H CB 0.059 29.597 29.762 -0.374 0.000 1.353 375 H HN 0.386 nan 8.280 nan 0.000 0.601 376 Q N -1.091 118.676 119.800 -0.056 0.000 2.287 376 Q HA -0.030 4.312 4.340 0.004 0.000 0.201 376 Q C 1.310 177.275 176.000 -0.059 0.000 0.946 376 Q CA 0.518 56.219 55.803 -0.170 0.000 0.868 376 Q CB -0.068 28.510 28.738 -0.267 0.000 0.967 376 Q HN 0.454 nan 8.270 nan 0.000 0.516 377 Y N 0.583 120.953 120.300 0.117 0.000 2.651 377 Y HA -0.144 4.408 4.550 0.003 0.000 0.293 377 Y C 1.809 177.833 175.900 0.207 0.000 1.151 377 Y CA 0.558 58.752 58.100 0.157 0.000 1.362 377 Y CB 0.151 38.729 38.460 0.197 0.000 0.973 377 Y HN 0.144 nan 8.280 nan 0.000 0.561 378 I N -2.018 118.720 120.570 0.279 0.000 3.339 378 I HA 0.072 4.244 4.170 0.004 0.000 0.285 378 I C 2.364 178.536 176.117 0.093 0.000 1.201 378 I CA 0.754 62.177 61.300 0.205 0.000 1.434 378 I CB -1.604 36.486 38.000 0.150 0.000 1.152 378 I HN 0.030 nan 8.210 nan 0.000 0.443 379 A N 1.368 124.206 122.820 0.030 0.000 2.186 379 A HA 0.022 4.344 4.320 0.004 0.000 0.219 379 A C 2.212 179.777 177.584 -0.031 0.000 1.159 379 A CA 1.625 53.647 52.037 -0.025 0.000 0.680 379 A CB -1.040 17.919 19.000 -0.070 0.000 0.787 379 A HN 0.427 nan 8.150 nan 0.000 0.467 380 G N -1.179 107.623 108.800 0.005 0.000 2.583 380 G HA2 0.114 4.077 3.960 0.004 0.000 0.215 380 G HA3 0.114 4.077 3.960 0.004 0.000 0.215 380 G C 0.869 175.716 174.900 -0.089 0.000 1.481 380 G CA 0.325 45.382 45.100 -0.073 0.000 0.948 380 G HN 0.341 nan 8.290 nan 0.000 0.511 381 F N 0.981 120.951 119.950 0.032 0.000 2.608 381 F HA 0.106 4.636 4.527 0.004 0.000 0.293 381 F C 1.835 177.626 175.800 -0.014 0.000 1.163 381 F CA 0.430 58.432 58.000 0.003 0.000 1.488 381 F CB -0.071 38.924 39.000 -0.008 0.000 1.116 381 F HN 0.046 nan 8.300 nan 0.000 0.613 382 I N -2.324 118.306 120.570 0.099 0.000 3.534 382 I HA -0.103 4.069 4.170 0.004 0.000 0.251 382 I C 2.068 178.179 176.117 -0.009 0.000 1.136 382 I CA 0.108 61.424 61.300 0.025 0.000 1.475 382 I CB -0.311 37.691 38.000 0.004 0.000 1.526 382 I HN -0.089 nan 8.210 nan 0.000 0.454 383 M N 0.767 120.359 119.600 -0.014 0.000 2.151 383 M HA -0.209 4.273 4.480 0.004 0.000 0.256 383 M C 1.651 177.975 176.300 0.040 0.000 1.072 383 M CA 1.927 57.224 55.300 -0.005 0.000 1.090 383 M CB -0.445 32.149 32.600 -0.010 0.000 1.294 383 M HN 0.304 nan 8.290 nan 0.000 0.415 384 T N -1.086 113.453 114.554 -0.026 0.000 2.681 384 T HA 0.218 4.570 4.350 0.004 0.000 0.333 384 T C 0.830 175.568 174.700 0.065 0.000 1.049 384 T CA 0.471 62.555 62.100 -0.026 0.000 1.002 384 T CB 0.050 68.772 68.868 -0.243 0.000 1.161 384 T HN 0.716 nan 8.240 nan 0.000 0.519 385 G N 0.123 109.032 108.800 0.181 0.000 2.451 385 G HA2 -0.026 3.936 3.960 0.004 0.000 0.296 385 G HA3 -0.026 3.936 3.960 0.004 0.000 0.296 385 G C 0.502 175.366 174.900 -0.060 0.000 0.922 385 G CA 0.606 45.817 45.100 0.186 0.000 1.074 385 G HN 1.226 nan 8.290 nan 0.000 0.509 386 A N -1.684 121.147 122.820 0.018 0.000 2.334 386 A HA 0.602 4.925 4.320 0.004 0.000 0.184 386 A C 1.321 178.805 177.584 -0.167 0.000 1.594 386 A CA 0.765 52.734 52.037 -0.113 0.000 1.162 386 A CB 0.221 19.160 19.000 -0.102 0.000 1.426 386 A HN 0.377 nan 8.150 nan 0.000 0.494 387 F N 0.238 120.110 119.950 -0.130 0.000 2.619 387 F HA 0.340 4.869 4.527 0.003 0.000 0.293 387 F C 2.507 178.211 175.800 -0.161 0.000 1.119 387 F CA 0.563 58.472 58.000 -0.152 0.000 1.445 387 F CB -0.195 38.723 39.000 -0.136 0.000 1.119 387 F HN 0.228 nan 8.300 nan 0.000 0.573 388 A N -0.068 122.802 122.820 0.083 0.000 1.852 388 A HA -0.243 4.079 4.320 0.004 0.000 0.217 388 A C 1.064 178.577 177.584 -0.119 0.000 1.215 388 A CA 1.675 53.719 52.037 0.012 0.000 0.641 388 A CB -1.355 17.608 19.000 -0.062 0.000 0.838 388 A HN 0.342 nan 8.150 nan 0.000 0.450 389 H N 0.074 119.000 119.070 -0.241 0.000 4.757 389 H HA 0.290 4.849 4.556 0.003 0.000 0.167 389 H C 1.181 176.359 175.328 -0.251 0.000 1.205 389 H CA 0.344 56.241 56.048 -0.252 0.000 1.354 389 H CB -0.984 28.561 29.762 -0.362 0.000 1.570 389 H HN 0.523 nan 8.280 nan 0.000 0.884 390 G N 0.036 108.705 108.800 -0.219 0.000 2.792 390 G HA2 -0.054 3.908 3.960 0.004 0.000 0.201 390 G HA3 -0.054 3.908 3.960 0.004 0.000 0.201 390 G C -1.161 173.281 174.900 -0.765 0.000 1.570 390 G CA -0.104 44.733 45.100 -0.438 0.000 0.671 390 G HN 0.249 nan 8.290 nan 0.000 1.060 391 P HA -0.045 nan 4.420 nan 0.000 0.210 391 P C 1.912 178.879 177.300 -0.556 0.000 1.189 391 P CA 0.686 63.409 63.100 -0.629 0.000 0.920 391 P CB 0.158 31.800 31.700 -0.097 0.000 0.782 392 I N 0.384 120.737 120.570 -0.362 0.000 3.586 392 I HA -0.328 3.844 4.170 0.004 0.000 0.172 392 I C 2.547 178.638 176.117 -0.044 0.000 0.781 392 I CA 2.101 63.273 61.300 -0.212 0.000 1.025 392 I CB -2.038 35.899 38.000 -0.104 0.000 0.795 392 I HN 0.101 nan 8.210 nan 0.000 0.304 393 F N 0.561 120.509 119.950 -0.003 0.000 2.079 393 F HA -0.388 4.141 4.527 0.003 0.000 0.296 393 F C 2.262 178.257 175.800 0.326 0.000 1.084 393 F CA 1.746 59.833 58.000 0.145 0.000 1.236 393 F CB -1.114 38.030 39.000 0.240 0.000 0.984 393 F HN 0.069 nan 8.300 nan 0.000 0.488 394 F N 1.547 121.359 119.950 -0.229 0.000 2.025 394 F HA -0.223 4.306 4.527 0.003 0.000 0.297 394 F C 2.278 178.147 175.800 0.115 0.000 1.171 394 F CA 1.386 59.324 58.000 -0.103 0.000 1.204 394 F CB -1.364 37.445 39.000 -0.320 0.000 0.948 394 F HN -0.005 nan 8.300 nan 0.000 0.512 395 I N -0.365 120.371 120.570 0.276 0.000 3.620 395 I HA -0.022 4.150 4.170 0.004 0.000 0.305 395 I C 0.849 177.057 176.117 0.151 0.000 1.243 395 I CA 0.701 62.120 61.300 0.199 0.000 1.196 395 I CB -0.262 37.851 38.000 0.187 0.000 1.004 395 I HN 0.231 nan 8.210 nan 0.000 0.487 396 R N -0.077 120.520 120.500 0.162 0.000 2.585 396 R HA 0.003 4.345 4.340 0.004 0.000 0.085 396 R C -0.886 175.455 176.300 0.068 0.000 0.570 396 R CA 0.135 56.279 56.100 0.074 0.000 0.785 396 R CB -0.237 30.066 30.300 0.004 0.000 0.922 396 R HN 0.098 nan 8.270 nan 0.000 0.617 397 D N -1.562 118.975 120.400 0.229 0.000 1.689 397 D HA -0.003 4.639 4.640 0.004 0.000 0.643 397 D C -1.051 175.426 176.300 0.296 0.000 0.804 397 D CA -0.075 54.062 54.000 0.228 0.000 1.125 397 D CB 0.073 41.017 40.800 0.241 0.000 1.506 397 D HN 0.150 nan 8.370 nan 0.000 0.499 398 Y N 2.634 123.145 120.300 0.352 0.000 2.442 398 Y HA 0.351 4.903 4.550 0.003 0.000 0.330 398 Y C -0.091 175.885 175.900 0.128 0.000 1.129 398 Y CA -0.419 57.854 58.100 0.288 0.000 1.365 398 Y CB 0.416 39.186 38.460 0.516 0.000 1.233 398 Y HN -0.085 nan 8.280 nan 0.000 0.529 399 N N 7.645 126.149 118.700 -0.328 0.000 2.476 399 N HA 0.350 5.092 4.740 0.004 0.000 0.257 399 N C -2.567 172.598 175.510 -0.574 0.000 0.970 399 N CA -2.345 50.521 53.050 -0.306 0.000 0.938 399 N CB 1.721 40.124 38.487 -0.141 0.000 1.144 399 N HN 0.310 nan 8.380 nan 0.000 0.500 400 P HA -0.107 nan 4.420 nan 0.000 0.238 400 P C -0.055 177.170 177.300 -0.125 0.000 1.175 400 P CA 1.069 64.095 63.100 -0.124 0.000 0.757 400 P CB 0.411 32.171 31.700 0.100 0.000 0.839 401 E N -1.247 118.842 120.200 -0.186 0.000 2.576 401 E HA 0.023 4.375 4.350 0.004 0.000 0.214 401 E C 1.745 178.273 176.600 -0.120 0.000 0.859 401 E CA 0.168 56.504 56.400 -0.106 0.000 1.399 401 E CB -0.422 29.236 29.700 -0.070 0.000 1.374 401 E HN -0.152 nan 8.360 nan 0.000 0.718 402 Q N 0.112 119.806 119.800 -0.178 0.000 2.472 402 Q HA 0.213 4.556 4.340 0.004 0.000 0.208 402 Q C 0.822 176.726 176.000 -0.159 0.000 0.958 402 Q CA 1.109 56.816 55.803 -0.160 0.000 0.932 402 Q CB 0.214 28.844 28.738 -0.181 0.000 1.007 402 Q HN 0.211 nan 8.270 nan 0.000 0.508 403 N N -2.412 116.180 118.700 -0.180 0.000 2.149 403 N HA 0.128 4.870 4.740 0.004 0.000 0.229 403 N C 0.514 176.016 175.510 -0.012 0.000 1.284 403 N CA 0.626 53.611 53.050 -0.109 0.000 0.864 403 N CB 0.426 38.809 38.487 -0.174 0.000 1.169 403 N HN 0.097 nan 8.380 nan 0.000 0.478 404 A N 1.019 123.828 122.820 -0.017 0.000 2.277 404 A HA -0.119 4.203 4.320 0.004 0.000 0.208 404 A C 1.632 179.236 177.584 0.033 0.000 1.202 404 A CA 0.817 52.876 52.037 0.038 0.000 0.762 404 A CB -0.338 18.682 19.000 0.033 0.000 0.770 404 A HN 0.194 nan 8.150 nan 0.000 0.487 405 D N 0.923 121.336 120.400 0.021 0.000 2.123 405 D HA -0.077 4.565 4.640 0.004 0.000 0.200 405 D C 0.202 176.528 176.300 0.044 0.000 0.976 405 D CA 0.952 54.965 54.000 0.022 0.000 0.831 405 D CB 0.009 40.814 40.800 0.009 0.000 0.974 405 D HN 0.800 nan 8.370 nan 0.000 0.469 406 N N -0.314 118.434 118.700 0.080 0.000 2.442 406 N HA 0.209 4.951 4.740 0.004 0.000 0.274 406 N C 1.501 177.125 175.510 0.191 0.000 1.002 406 N CA -0.037 53.095 53.050 0.137 0.000 0.910 406 N CB 3.092 41.694 38.487 0.191 0.000 1.244 406 N HN -0.098 nan 8.380 nan 0.000 0.492 407 V N -0.629 119.384 119.914 0.164 0.000 0.626 407 V HA -0.480 3.643 4.120 0.004 0.000 0.093 407 V C 1.671 177.873 176.094 0.180 0.000 1.900 407 V CA 2.040 64.440 62.300 0.166 0.000 3.395 407 V CB -1.360 30.610 31.823 0.244 0.000 0.742 407 V HN 0.650 nan 8.190 nan 0.000 0.743 408 L N 1.585 122.944 121.223 0.227 0.000 1.943 408 L HA -0.010 4.332 4.340 0.004 0.000 0.215 408 L C 2.981 179.951 176.870 0.166 0.000 1.074 408 L CA 3.349 58.334 54.840 0.243 0.000 0.759 408 L CB -1.845 40.429 42.059 0.358 0.000 0.888 408 L HN 0.747 nan 8.230 nan 0.000 0.433 409 A N -0.567 122.382 122.820 0.216 0.000 1.986 409 A HA -0.246 4.076 4.320 0.004 0.000 0.220 409 A C 2.313 179.968 177.584 0.118 0.000 1.171 409 A CA 1.846 53.995 52.037 0.187 0.000 0.640 409 A CB -0.437 18.702 19.000 0.232 0.000 0.811 409 A HN 0.548 nan 8.150 nan 0.000 0.451 410 R N -2.183 118.388 120.500 0.117 0.000 2.052 410 R HA -0.012 4.330 4.340 0.004 0.000 0.226 410 R C 2.159 178.545 176.300 0.143 0.000 1.145 410 R CA 1.285 57.440 56.100 0.090 0.000 0.952 410 R CB -0.572 29.753 30.300 0.041 0.000 0.847 410 R HN 0.412 nan 8.270 nan 0.000 0.431 411 M N 1.241 120.942 119.600 0.169 0.000 2.422 411 M HA -0.278 4.205 4.480 0.004 0.000 0.252 411 M C 2.001 178.469 176.300 0.280 0.000 1.058 411 M CA 1.787 57.248 55.300 0.269 0.000 1.060 411 M CB -0.709 32.022 32.600 0.218 0.000 1.305 411 M HN 0.134 nan 8.290 nan 0.000 0.435 412 L N -0.449 120.868 121.223 0.157 0.000 1.971 412 L HA -0.269 4.073 4.340 0.004 0.000 0.215 412 L C 2.314 179.254 176.870 0.116 0.000 1.072 412 L CA 2.394 57.289 54.840 0.092 0.000 0.758 412 L CB -1.592 40.459 42.059 -0.013 0.000 0.889 412 L HN 0.442 nan 8.230 nan 0.000 0.433 413 E N -1.007 119.270 120.200 0.127 0.000 2.118 413 E HA -0.232 4.120 4.350 0.004 0.000 0.195 413 E C 1.485 178.183 176.600 0.164 0.000 0.992 413 E CA 1.307 57.778 56.400 0.118 0.000 0.804 413 E CB -0.193 29.566 29.700 0.098 0.000 0.741 413 E HN 0.542 nan 8.360 nan 0.000 0.458 414 H N 0.469 119.568 119.070 0.049 0.000 2.577 414 H HA 0.206 4.764 4.556 0.003 0.000 0.306 414 H C 0.847 176.211 175.328 0.061 0.000 1.109 414 H CA 0.054 56.133 56.048 0.051 0.000 1.063 414 H CB 0.027 29.817 29.762 0.046 0.000 1.535 414 H HN 0.080 nan 8.280 nan 0.000 0.532 415 K N 1.054 121.453 120.400 -0.001 0.000 2.044 415 K HA -0.117 4.205 4.320 0.004 0.000 0.204 415 K C 1.051 177.604 176.600 -0.078 0.000 1.049 415 K CA 1.344 57.604 56.287 -0.045 0.000 0.945 415 K CB -0.488 32.045 32.500 0.055 0.000 0.724 415 K HN 0.427 nan 8.250 nan 0.000 0.440 416 E N 0.579 120.758 120.200 -0.035 0.000 3.460 416 E HA 0.077 4.429 4.350 0.004 0.000 0.298 416 E C 0.377 176.956 176.600 -0.034 0.000 1.314 416 E CA 0.218 56.605 56.400 -0.023 0.000 1.393 416 E CB -0.007 29.694 29.700 0.001 0.000 1.127 416 E HN 0.462 nan 8.360 nan 0.000 0.461 417 A N 1.538 124.323 122.820 -0.060 0.000 1.546 417 A HA 0.071 4.393 4.320 0.004 0.000 0.212 417 A C 1.523 179.135 177.584 0.045 0.000 1.754 417 A CA 0.205 52.229 52.037 -0.022 0.000 1.318 417 A CB -0.625 18.251 19.000 -0.206 0.000 1.228 417 A HN 0.371 nan 8.150 nan 0.000 0.426 418 I N 1.177 121.721 120.570 -0.043 0.000 2.194 418 I HA -0.238 3.934 4.170 0.004 0.000 0.246 418 I C 1.898 178.038 176.117 0.039 0.000 1.093 418 I CA 2.205 63.518 61.300 0.021 0.000 1.355 418 I CB -0.258 37.749 38.000 0.011 0.000 1.046 418 I HN 0.413 nan 8.210 nan 0.000 0.413 419 I N 0.835 121.409 120.570 0.006 0.000 2.163 419 I HA -0.253 3.919 4.170 0.004 0.000 0.243 419 I C 1.422 177.536 176.117 -0.004 0.000 1.085 419 I CA 1.805 63.097 61.300 -0.013 0.000 1.347 419 I CB -0.551 37.436 38.000 -0.022 0.000 1.044 419 I HN 0.414 nan 8.210 nan 0.000 0.408 420 S N -1.213 114.493 115.700 0.010 0.000 2.694 420 S HA 0.335 4.808 4.470 0.004 0.000 0.211 420 S C 0.052 174.565 174.600 -0.144 0.000 1.328 420 S CA -0.424 57.752 58.200 -0.040 0.000 1.236 420 S CB -0.263 62.901 63.200 -0.061 0.000 1.121 420 S HN 0.452 nan 8.310 nan 0.000 0.517 421 H N -0.073 119.050 119.070 0.089 0.000 3.652 421 H HA 0.307 4.864 4.556 0.003 0.000 0.262 421 H C -0.558 174.855 175.328 0.142 0.000 1.104 421 H CA -0.219 55.921 56.048 0.154 0.000 1.182 421 H CB 0.396 30.224 29.762 0.110 0.000 1.756 421 H HN 0.427 nan 8.280 nan 0.000 0.867 422 L N 1.819 123.136 121.223 0.156 0.000 2.488 422 L HA 0.477 4.819 4.340 0.004 0.000 0.250 422 L C -0.240 176.628 176.870 -0.002 0.000 1.280 422 L CA 0.378 55.271 54.840 0.090 0.000 0.929 422 L CB 0.077 42.166 42.059 0.050 0.000 1.200 422 L HN 0.416 nan 8.230 nan 0.000 0.495 423 S N 1.033 116.716 115.700 -0.029 0.000 7.359 423 S HA -0.187 4.285 4.470 0.004 0.000 0.040 423 S C 0.500 175.076 174.600 -0.041 0.000 1.514 423 S CA 0.077 58.239 58.200 -0.062 0.000 0.983 423 S CB -0.944 62.243 63.200 -0.023 0.000 0.930 423 S HN 0.531 nan 8.310 nan 0.000 0.538 424 W N 3.668 124.916 121.300 -0.085 0.000 2.421 424 W HA 0.419 5.083 4.660 0.007 0.000 0.270 424 W C 2.491 179.022 176.519 0.020 0.000 1.233 424 W CA 2.108 59.441 57.345 -0.021 0.000 1.226 424 W CB -0.477 28.954 29.460 -0.047 0.000 1.121 424 W HN 0.681 nan 8.180 nan 0.000 0.579 425 A N -0.831 121.981 122.820 -0.015 0.000 2.194 425 A HA -0.159 4.163 4.320 0.004 0.000 0.220 425 A C 1.869 179.111 177.584 -0.570 0.000 1.162 425 A CA 2.222 54.091 52.037 -0.280 0.000 0.674 425 A CB -0.508 18.466 19.000 -0.043 0.000 0.789 425 A HN 0.275 nan 8.150 nan 0.000 0.470 426 S N -2.140 113.306 115.700 -0.423 0.000 2.882 426 S HA 0.257 4.729 4.470 0.004 0.000 0.258 426 S C 0.466 174.829 174.600 -0.395 0.000 1.081 426 S CA -0.461 57.497 58.200 -0.404 0.000 0.886 426 S CB -0.059 62.943 63.200 -0.329 0.000 0.855 426 S HN 0.330 nan 8.310 nan 0.000 0.467 427 L N 3.231 124.220 121.223 -0.391 0.000 2.376 427 L HA 0.384 4.726 4.340 0.004 0.000 0.250 427 L C -1.023 175.574 176.870 -0.456 0.000 1.335 427 L CA 0.103 54.642 54.840 -0.502 0.000 1.214 427 L CB -0.523 41.340 42.059 -0.326 0.000 1.395 427 L HN 0.425 nan 8.230 nan 0.000 0.424 428 F N 3.632 123.213 119.950 -0.614 0.000 2.167 428 F HA -0.119 4.411 4.527 0.005 0.000 0.530 428 F C -0.237 175.392 175.800 -0.284 0.000 1.299 428 F CA -0.848 57.002 58.000 -0.249 0.000 1.698 428 F CB -0.468 38.205 39.000 -0.545 0.000 2.722 428 F HN 0.058 nan 8.300 nan 0.000 0.722 429 L N 3.480 124.580 121.223 -0.205 0.000 4.800 429 L HA -0.209 4.134 4.340 0.004 0.000 0.412 429 L C 1.226 178.015 176.870 -0.135 0.000 1.063 429 L CA 1.897 56.608 54.840 -0.216 0.000 1.114 429 L CB -2.005 39.817 42.059 -0.396 0.000 2.089 429 L HN 0.887 nan 8.230 nan 0.000 0.686 430 G N -2.152 106.521 108.800 -0.211 0.000 2.732 430 G HA2 0.241 4.203 3.960 0.004 0.000 0.206 430 G HA3 0.241 4.203 3.960 0.004 0.000 0.206 430 G C 1.103 175.827 174.900 -0.293 0.000 1.253 430 G CA 0.544 45.434 45.100 -0.350 0.000 0.796 430 G HN 0.229 nan 8.290 nan 0.000 0.616 431 F N 1.794 121.648 119.950 -0.161 0.000 2.147 431 F HA 0.194 4.722 4.527 0.003 0.000 0.291 431 F C 1.932 177.609 175.800 -0.206 0.000 1.093 431 F CA 0.267 58.120 58.000 -0.245 0.000 1.263 431 F CB -0.521 38.244 39.000 -0.392 0.000 1.036 431 F HN 0.070 nan 8.300 nan 0.000 0.481 432 H N -0.350 118.900 119.070 0.300 0.000 2.430 432 H HA 0.089 4.647 4.556 0.003 0.000 0.359 432 H C 1.029 176.437 175.328 0.133 0.000 1.672 432 H CA 0.413 56.588 56.048 0.212 0.000 1.445 432 H CB -0.467 29.450 29.762 0.258 0.000 1.642 432 H HN 0.006 nan 8.280 nan 0.000 0.593 433 T N -0.614 114.077 114.554 0.228 0.000 7.894 433 T HA -0.224 4.128 4.350 0.004 0.000 0.344 433 T C 0.838 175.703 174.700 0.276 0.000 1.622 433 T CA 1.665 63.842 62.100 0.127 0.000 2.550 433 T CB -0.835 68.108 68.868 0.125 0.000 2.738 433 T HN 0.591 nan 8.240 nan 0.000 1.238 434 L N -2.576 118.805 121.223 0.263 0.000 4.194 434 L HA 0.415 4.757 4.340 0.004 0.000 0.409 434 L C 1.861 178.840 176.870 0.183 0.000 1.084 434 L CA 0.820 55.812 54.840 0.253 0.000 1.510 434 L CB 0.094 42.246 42.059 0.155 0.000 1.780 434 L HN 0.223 nan 8.230 nan 0.000 0.634 435 G N -0.078 108.825 108.800 0.172 0.000 2.557 435 G HA2 -0.039 3.923 3.960 0.004 0.000 0.213 435 G HA3 -0.039 3.923 3.960 0.004 0.000 0.213 435 G C 1.205 176.145 174.900 0.068 0.000 1.221 435 G CA 0.644 45.824 45.100 0.134 0.000 0.832 435 G HN 0.109 nan 8.290 nan 0.000 0.556 436 L N -0.418 120.844 121.223 0.065 0.000 2.056 436 L HA -0.331 4.011 4.340 0.004 0.000 0.237 436 L C 2.546 179.276 176.870 -0.234 0.000 1.106 436 L CA 2.224 56.988 54.840 -0.126 0.000 0.829 436 L CB -0.914 41.159 42.059 0.022 0.000 0.924 436 L HN 0.222 nan 8.230 nan 0.000 0.447 437 Y N -0.635 119.601 120.300 -0.106 0.000 2.264 437 Y HA -0.287 4.265 4.550 0.003 0.000 0.282 437 Y C 2.394 178.251 175.900 -0.073 0.000 1.204 437 Y CA 1.564 59.636 58.100 -0.047 0.000 1.228 437 Y CB -0.375 38.089 38.460 0.006 0.000 0.971 437 Y HN 0.015 nan 8.280 nan 0.000 0.538 438 V N -0.476 119.466 119.914 0.047 0.000 2.825 438 V HA -0.154 3.968 4.120 0.004 0.000 0.246 438 V C 1.886 177.998 176.094 0.030 0.000 1.068 438 V CA 1.609 63.925 62.300 0.027 0.000 1.088 438 V CB -0.335 31.505 31.823 0.028 0.000 0.733 438 V HN 0.655 nan 8.190 nan 0.000 0.468 439 H N -0.970 118.155 119.070 0.091 0.000 2.462 439 H HA 0.054 4.612 4.556 0.003 0.000 0.292 439 H C 1.272 176.640 175.328 0.067 0.000 1.049 439 H CA 0.893 56.971 56.048 0.051 0.000 1.334 439 H CB -0.657 29.130 29.762 0.041 0.000 1.404 439 H HN 0.327 nan 8.280 nan 0.000 0.544 440 N N 1.618 120.319 118.700 0.001 0.000 2.991 440 N HA -0.011 4.731 4.740 0.004 0.000 0.324 440 N C -0.368 175.289 175.510 0.245 0.000 1.208 440 N CA 0.627 53.760 53.050 0.138 0.000 1.190 440 N CB -0.027 38.565 38.487 0.174 0.000 1.443 440 N HN 0.463 nan 8.380 nan 0.000 0.542 441 D N -2.450 118.046 120.400 0.160 0.000 4.347 441 D HA -0.117 4.525 4.640 0.004 0.000 0.201 441 D C 0.898 177.210 176.300 0.020 0.000 0.399 441 D CA 0.239 54.340 54.000 0.169 0.000 0.631 441 D CB -0.403 40.483 40.800 0.143 0.000 1.620 441 D HN 0.066 nan 8.370 nan 0.000 0.080 442 V N 2.359 122.273 119.914 0.002 0.000 2.283 442 V HA -0.175 3.947 4.120 0.004 0.000 0.222 442 V C 2.696 178.718 176.094 -0.120 0.000 1.035 442 V CA 1.565 63.797 62.300 -0.114 0.000 1.028 442 V CB -0.646 31.171 31.823 -0.011 0.000 0.659 442 V HN 0.123 nan 8.190 nan 0.000 0.468 443 M N -0.206 119.397 119.600 0.005 0.000 2.345 443 M HA -0.224 4.259 4.480 0.004 0.000 0.253 443 M C 1.165 177.450 176.300 -0.025 0.000 1.068 443 M CA 1.577 56.899 55.300 0.036 0.000 1.069 443 M CB -1.595 31.028 32.600 0.039 0.000 1.292 443 M HN 0.218 nan 8.290 nan 0.000 0.430 444 L N 0.597 121.745 121.223 -0.124 0.000 2.574 444 L HA 0.274 4.616 4.340 0.004 0.000 0.281 444 L C 0.860 177.667 176.870 -0.104 0.000 1.212 444 L CA 0.820 55.490 54.840 -0.284 0.000 1.082 444 L CB -0.876 40.671 42.059 -0.852 0.000 1.362 444 L HN 0.538 nan 8.230 nan 0.000 0.451 445 A N 3.401 126.209 122.820 -0.020 0.000 3.568 445 A HA -0.081 4.242 4.320 0.004 0.000 0.199 445 A C 0.421 178.170 177.584 0.275 0.000 1.298 445 A CA -0.367 51.700 52.037 0.050 0.000 1.176 445 A CB -1.001 17.931 19.000 -0.112 0.000 0.812 445 A HN 0.163 nan 8.150 nan 0.000 0.391 446 F N 2.845 122.789 119.950 -0.010 0.000 2.871 446 F HA 0.483 5.012 4.527 0.003 0.000 0.317 446 F C 1.591 177.379 175.800 -0.019 0.000 1.193 446 F CA -0.501 57.493 58.000 -0.010 0.000 1.311 446 F CB -0.396 38.602 39.000 -0.002 0.000 1.380 446 F HN 0.769 nan 8.300 nan 0.000 0.557 447 G N 1.729 110.615 108.800 0.143 0.000 2.167 447 G HA2 -0.193 3.769 3.960 0.004 0.000 0.233 447 G HA3 -0.193 3.769 3.960 0.004 0.000 0.233 447 G C 0.460 175.391 174.900 0.052 0.000 0.493 447 G CA 1.019 46.153 45.100 0.056 0.000 1.034 447 G HN 0.524 nan 8.290 nan 0.000 0.410 448 T N 0.770 115.347 114.554 0.039 0.000 4.168 448 T HA 0.259 4.611 4.350 0.004 0.000 0.322 448 T C -0.947 173.751 174.700 -0.003 0.000 0.896 448 T CA 0.297 62.412 62.100 0.025 0.000 0.949 448 T CB 1.217 70.117 68.868 0.052 0.000 1.125 448 T HN 0.358 nan 8.240 nan 0.000 0.504 449 P HA -0.257 nan 4.420 nan 0.000 0.217 449 P C 1.580 178.863 177.300 -0.028 0.000 1.148 449 P CA 1.756 64.819 63.100 -0.063 0.000 0.828 449 P CB 0.149 31.794 31.700 -0.092 0.000 0.783 450 E N 2.307 122.496 120.200 -0.018 0.000 2.154 450 E HA -0.264 4.088 4.350 0.004 0.000 0.240 450 E C 0.885 177.485 176.600 -0.000 0.000 1.059 450 E CA 1.325 57.720 56.400 -0.009 0.000 0.954 450 E CB -1.484 28.212 29.700 -0.007 0.000 0.842 450 E HN 0.366 nan 8.360 nan 0.000 0.508 451 K N 1.627 122.030 120.400 0.006 0.000 2.401 451 K HA 0.069 4.391 4.320 0.004 0.000 0.278 451 K C -0.368 176.253 176.600 0.035 0.000 1.018 451 K CA -0.095 56.202 56.287 0.017 0.000 0.981 451 K CB 1.064 33.571 32.500 0.011 0.000 0.933 451 K HN 0.424 nan 8.250 nan 0.000 0.477 452 Q N 2.706 122.542 119.800 0.060 0.000 2.776 452 Q HA 0.133 4.475 4.340 0.004 0.000 0.248 452 Q C -1.253 174.817 176.000 0.117 0.000 0.990 452 Q CA -0.525 55.339 55.803 0.102 0.000 0.953 452 Q CB 0.940 29.707 28.738 0.049 0.000 1.801 452 Q HN 0.714 nan 8.270 nan 0.000 0.448 453 I N 3.281 123.956 120.570 0.175 0.000 3.793 453 I HA 0.186 4.358 4.170 0.004 0.000 0.315 453 I C 0.487 176.647 176.117 0.072 0.000 1.275 453 I CA -0.202 61.196 61.300 0.163 0.000 1.214 453 I CB 0.243 38.409 38.000 0.277 0.000 1.018 453 I HN 0.710 nan 8.210 nan 0.000 0.439 454 L N 3.049 124.296 121.223 0.041 0.000 3.022 454 L HA -0.024 4.318 4.340 0.004 0.000 0.303 454 L C 0.326 177.178 176.870 -0.031 0.000 1.081 454 L CA 0.347 55.187 54.840 -0.001 0.000 1.164 454 L CB -0.557 41.506 42.059 0.007 0.000 1.559 454 L HN 0.289 nan 8.230 nan 0.000 0.422 455 I N 2.484 123.037 120.570 -0.029 0.000 2.322 455 I HA 0.262 4.434 4.170 0.004 0.000 0.292 455 I C 0.222 176.173 176.117 -0.277 0.000 1.060 455 I CA -0.213 61.051 61.300 -0.060 0.000 1.309 455 I CB 0.696 38.722 38.000 0.043 0.000 1.415 455 I HN 0.625 nan 8.210 nan 0.000 0.492 456 E N 8.696 128.745 120.200 -0.252 0.000 2.299 456 E HA 0.250 4.602 4.350 0.004 0.000 0.272 456 E C -2.092 174.260 176.600 -0.413 0.000 1.043 456 E CA -1.906 54.280 56.400 -0.356 0.000 0.895 456 E CB 0.621 30.203 29.700 -0.198 0.000 1.011 456 E HN 0.512 nan 8.360 nan 0.000 0.432 457 P HA -0.154 nan 4.420 nan 0.000 0.260 457 P C 0.161 177.408 177.300 -0.089 0.000 1.147 457 P CA 0.682 63.539 63.100 -0.405 0.000 0.758 457 P CB 0.263 31.780 31.700 -0.305 0.000 0.744 458 I N 1.043 121.673 120.570 0.100 0.000 3.941 458 I HA 0.126 4.298 4.170 0.004 0.000 0.321 458 I C 0.744 177.043 176.117 0.303 0.000 1.284 458 I CA 0.988 62.407 61.300 0.198 0.000 1.226 458 I CB 0.093 38.235 38.000 0.237 0.000 1.045 458 I HN 0.029 nan 8.210 nan 0.000 0.420 459 F N 0.723 120.665 119.950 -0.014 0.000 2.490 459 F HA 0.470 4.999 4.527 0.003 0.000 0.280 459 F C 2.546 178.349 175.800 0.005 0.000 1.030 459 F CA 0.678 58.656 58.000 -0.036 0.000 1.367 459 F CB -1.191 37.816 39.000 0.011 0.000 1.131 459 F HN 0.059 nan 8.300 nan 0.000 0.632 460 A N -0.019 122.942 122.820 0.235 0.000 1.849 460 A HA -0.260 4.062 4.320 0.004 0.000 0.217 460 A C 1.842 179.472 177.584 0.076 0.000 1.202 460 A CA 2.397 54.525 52.037 0.152 0.000 0.629 460 A CB -0.918 18.145 19.000 0.105 0.000 0.834 460 A HN 0.482 nan 8.150 nan 0.000 0.447 461 Q N -2.697 117.111 119.800 0.014 0.000 1.790 461 Q HA -0.375 3.967 4.340 0.004 0.000 0.171 461 Q C 1.585 177.561 176.000 -0.040 0.000 2.942 461 Q CA 2.710 58.488 55.803 -0.042 0.000 0.220 461 Q CB -1.283 27.443 28.738 -0.020 0.000 0.236 461 Q HN 0.833 nan 8.270 nan 0.000 0.361 462 W N 0.736 121.904 121.300 -0.220 0.000 2.381 462 W HA -0.005 4.658 4.660 0.004 0.000 0.321 462 W C 1.484 177.838 176.519 -0.275 0.000 1.196 462 W CA 0.583 57.792 57.345 -0.225 0.000 1.304 462 W CB -0.850 28.520 29.460 -0.149 0.000 1.166 462 W HN 0.219 nan 8.180 nan 0.000 0.473 463 I N 0.743 121.259 120.570 -0.090 0.000 3.717 463 I HA -0.343 3.829 4.170 0.004 0.000 0.229 463 I C 2.039 177.724 176.117 -0.721 0.000 1.383 463 I CA 1.647 62.565 61.300 -0.636 0.000 1.111 463 I CB -0.859 36.932 38.000 -0.349 0.000 1.478 463 I HN 0.415 nan 8.210 nan 0.000 0.785 464 Q N -0.620 118.501 119.800 -1.130 0.000 2.224 464 Q HA -0.343 4.000 4.340 0.004 0.000 0.189 464 Q C 0.910 176.616 176.000 -0.490 0.000 0.639 464 Q CA 1.608 56.945 55.803 -0.776 0.000 1.436 464 Q CB -1.043 27.475 28.738 -0.366 0.000 1.626 464 Q HN 0.884 nan 8.270 nan 0.000 0.768 465 S N -1.866 113.573 115.700 -0.435 0.000 3.066 465 S HA 0.462 4.934 4.470 0.004 0.000 0.235 465 S C 1.834 176.303 174.600 -0.218 0.000 0.995 465 S CA 0.364 58.406 58.200 -0.264 0.000 0.835 465 S CB -0.568 62.500 63.200 -0.220 0.000 0.814 465 S HN 0.516 nan 8.310 nan 0.000 0.594 466 A N 2.542 125.216 122.820 -0.243 0.000 1.917 466 A HA -0.182 4.141 4.320 0.004 0.000 0.219 466 A C 1.657 179.237 177.584 -0.007 0.000 1.182 466 A CA 1.724 53.688 52.037 -0.122 0.000 0.633 466 A CB -1.475 17.455 19.000 -0.116 0.000 0.819 466 A HN 0.816 nan 8.150 nan 0.000 0.448 467 H N -1.428 117.495 119.070 -0.246 0.000 2.574 467 H HA 0.320 4.878 4.556 0.003 0.000 0.277 467 H C 1.480 176.673 175.328 -0.226 0.000 1.058 467 H CA -0.133 55.749 56.048 -0.277 0.000 1.171 467 H CB -0.064 29.398 29.762 -0.500 0.000 1.304 467 H HN 0.663 nan 8.280 nan 0.000 0.620 468 G N 0.834 109.599 108.800 -0.059 0.000 2.909 468 G HA2 -0.234 3.728 3.960 0.004 0.000 0.198 468 G HA3 -0.234 3.728 3.960 0.004 0.000 0.198 468 G C 0.159 175.038 174.900 -0.035 0.000 1.124 468 G CA -0.681 44.416 45.100 -0.005 0.000 0.796 468 G HN 0.246 nan 8.290 nan 0.000 0.489 469 K N 2.426 122.768 120.400 -0.096 0.000 2.378 469 K HA 0.425 4.747 4.320 0.004 0.000 0.288 469 K C -0.449 176.104 176.600 -0.078 0.000 1.057 469 K CA 0.577 56.822 56.287 -0.070 0.000 0.971 469 K CB 0.134 32.581 32.500 -0.088 0.000 0.975 469 K HN 0.212 nan 8.250 nan 0.000 0.475 470 T N 2.947 117.473 114.554 -0.047 0.000 3.355 470 T HA 0.146 4.498 4.350 0.004 0.000 0.376 470 T C -0.655 174.011 174.700 -0.057 0.000 1.683 470 T CA -0.541 61.538 62.100 -0.035 0.000 1.269 470 T CB 0.285 69.150 68.868 -0.005 0.000 1.158 470 T HN 0.396 nan 8.240 nan 0.000 0.703 471 T N 3.826 118.310 114.554 -0.116 0.000 3.141 471 T HA 0.435 4.787 4.350 0.004 0.000 0.377 471 T C -0.952 173.570 174.700 -0.297 0.000 1.258 471 T CA -0.860 61.106 62.100 -0.224 0.000 1.263 471 T CB -0.220 68.456 68.868 -0.321 0.000 1.066 471 T HN 0.676 nan 8.240 nan 0.000 0.546 472 Y N -0.542 119.753 120.300 -0.009 0.000 2.572 472 Y HA 0.096 4.648 4.550 0.003 0.000 0.025 472 Y C -0.018 175.900 175.900 0.029 0.000 1.771 472 Y CA -0.212 57.890 58.100 0.003 0.000 1.373 472 Y CB -1.683 36.771 38.460 -0.010 0.000 2.022 472 Y HN 1.732 nan 8.280 nan 0.000 0.264 473 G N 2.575 111.536 108.800 0.268 0.000 2.756 473 G HA2 0.307 4.269 3.960 0.004 0.000 0.678 473 G HA3 0.307 4.269 3.960 0.004 0.000 0.678 473 G C -0.458 174.620 174.900 0.297 0.000 1.349 473 G CA 0.034 45.270 45.100 0.227 0.000 0.847 473 G HN 2.616 nan 8.290 nan 0.000 0.548 474 F N -0.849 119.131 119.950 0.049 0.000 2.349 474 F HA -0.127 4.402 4.527 0.003 0.000 0.463 474 F C 0.199 176.016 175.800 0.028 0.000 1.204 474 F CA 0.700 58.727 58.000 0.046 0.000 1.483 474 F CB -0.699 38.338 39.000 0.062 0.000 2.274 474 F HN 0.715 nan 8.300 nan 0.000 0.756 475 D N 4.803 125.156 120.400 -0.079 0.000 2.662 475 D HA 0.280 4.922 4.640 0.004 0.000 0.228 475 D C 0.687 176.919 176.300 -0.112 0.000 1.093 475 D CA 0.778 54.741 54.000 -0.060 0.000 1.075 475 D CB -0.190 40.577 40.800 -0.056 0.000 1.122 475 D HN 0.562 nan 8.370 nan 0.000 0.475 476 I N -2.197 118.340 120.570 -0.054 0.000 3.619 476 I HA 0.719 4.891 4.170 0.004 0.000 0.284 476 I C -1.915 174.190 176.117 -0.021 0.000 1.240 476 I CA -1.772 59.496 61.300 -0.053 0.000 1.016 476 I CB 0.327 38.333 38.000 0.010 0.000 1.374 476 I HN -0.156 nan 8.210 nan 0.000 0.553 477 P HA 0.380 nan 4.420 nan 0.000 0.338 477 P C 0.769 178.040 177.300 -0.047 0.000 1.308 477 P CA -0.532 62.542 63.100 -0.044 0.000 0.753 477 P CB 0.714 32.381 31.700 -0.056 0.000 1.579 478 L N -1.237 119.958 121.223 -0.047 0.000 4.047 478 L HA -0.390 3.952 4.340 0.004 0.000 0.053 478 L C 1.959 178.816 176.870 -0.023 0.000 3.917 478 L CA 2.586 57.402 54.840 -0.039 0.000 1.105 478 L CB -1.997 40.026 42.059 -0.060 0.000 3.274 478 L HN 0.436 nan 8.230 nan 0.000 0.827 479 S N -0.320 115.362 115.700 -0.030 0.000 2.559 479 S HA -0.124 4.348 4.470 0.004 0.000 0.250 479 S C 1.496 176.096 174.600 -0.001 0.000 0.977 479 S CA 1.243 59.433 58.200 -0.016 0.000 0.958 479 S CB -0.550 62.630 63.200 -0.034 0.000 0.751 479 S HN 0.627 nan 8.310 nan 0.000 0.534 480 S N 0.780 116.480 115.700 -0.001 0.000 2.462 480 S HA -0.189 4.283 4.470 0.004 0.000 0.251 480 S C 1.214 175.820 174.600 0.010 0.000 1.018 480 S CA 1.225 59.429 58.200 0.007 0.000 0.988 480 S CB -1.278 61.922 63.200 -0.001 0.000 0.766 480 S HN 1.017 nan 8.310 nan 0.000 0.504 481 T N -1.442 113.117 114.554 0.009 0.000 4.712 481 T HA -0.205 4.147 4.350 0.004 0.000 0.304 481 T C -0.194 174.512 174.700 0.010 0.000 1.250 481 T CA 0.816 62.924 62.100 0.013 0.000 2.371 481 T CB -2.218 66.660 68.868 0.017 0.000 1.829 481 T HN 0.482 nan 8.240 nan 0.000 0.953 482 N N 0.345 119.048 118.700 0.006 0.000 3.506 482 N HA 0.473 5.215 4.740 0.004 0.000 0.174 482 N C -0.305 175.204 175.510 -0.003 0.000 1.488 482 N CA 0.364 53.416 53.050 0.002 0.000 0.834 482 N CB 0.889 39.377 38.487 0.002 0.000 1.677 482 N HN 0.827 nan 8.380 nan 0.000 0.654 483 G N 0.479 109.276 108.800 -0.005 0.000 2.659 483 G HA2 0.600 4.562 3.960 0.004 0.000 0.296 483 G HA3 0.600 4.562 3.960 0.004 0.000 0.296 483 G C -2.792 172.101 174.900 -0.012 0.000 1.369 483 G CA -1.326 43.767 45.100 -0.012 0.000 0.937 483 G HN -0.053 nan 8.290 nan 0.000 0.485 484 P HA 0.319 nan 4.420 nan 0.000 0.227 484 P C 0.459 177.749 177.300 -0.017 0.000 1.801 484 P CA 0.071 63.163 63.100 -0.013 0.000 0.971 484 P CB 1.036 32.727 31.700 -0.014 0.000 1.653 485 A N -0.203 122.606 122.820 -0.018 0.000 2.048 485 A HA 0.138 4.460 4.320 0.004 0.000 0.197 485 A C 1.361 178.948 177.584 0.005 0.000 1.486 485 A CA 0.158 52.188 52.037 -0.012 0.000 1.029 485 A CB -0.677 18.305 19.000 -0.031 0.000 1.101 485 A HN 0.206 nan 8.150 nan 0.000 0.470 486 L N 0.870 122.094 121.223 0.002 0.000 2.610 486 L HA 0.261 4.603 4.340 0.004 0.000 0.232 486 L C 0.168 177.044 176.870 0.011 0.000 1.149 486 L CA 0.649 55.499 54.840 0.015 0.000 0.872 486 L CB -1.120 40.946 42.059 0.011 0.000 0.992 486 L HN 0.392 nan 8.230 nan 0.000 0.447 487 N N -2.180 116.524 118.700 0.006 0.000 2.531 487 N HA 0.637 5.379 4.740 0.004 0.000 0.290 487 N C 0.765 176.279 175.510 0.007 0.000 1.257 487 N CA 0.294 53.346 53.050 0.002 0.000 0.863 487 N CB 1.579 40.065 38.487 -0.003 0.000 1.320 487 N HN -0.013 nan 8.380 nan 0.000 0.538 488 A N -1.123 121.698 122.820 0.002 0.000 4.287 488 A HA -0.156 4.166 4.320 0.004 0.000 0.258 488 A C 1.126 178.714 177.584 0.006 0.000 0.811 488 A CA 1.961 54.002 52.037 0.007 0.000 1.245 488 A CB -2.143 16.867 19.000 0.017 0.000 1.055 488 A HN 0.811 nan 8.150 nan 0.000 0.763 489 G N -2.168 106.635 108.800 0.004 0.000 3.829 489 G HA2 0.364 4.327 3.960 0.004 0.000 0.279 489 G HA3 0.364 4.327 3.960 0.004 0.000 0.279 489 G C 0.489 175.346 174.900 -0.072 0.000 1.008 489 G CA 0.670 45.759 45.100 -0.019 0.000 0.840 489 G HN 0.392 nan 8.290 nan 0.000 0.474 490 R N 0.846 121.317 120.500 -0.048 0.000 2.753 490 R HA 0.010 4.352 4.340 0.004 0.000 0.213 490 R C 0.789 177.052 176.300 -0.061 0.000 1.591 490 R CA 0.542 56.619 56.100 -0.038 0.000 1.410 490 R CB -0.221 30.066 30.300 -0.022 0.000 0.985 490 R HN 0.414 nan 8.270 nan 0.000 0.496 491 N N -0.954 117.671 118.700 -0.125 0.000 2.378 491 N HA -0.046 4.696 4.740 0.004 0.000 0.317 491 N C -0.327 175.025 175.510 -0.264 0.000 0.705 491 N CA -0.095 52.872 53.050 -0.139 0.000 0.671 491 N CB 0.129 38.541 38.487 -0.125 0.000 2.307 491 N HN 0.040 nan 8.380 nan 0.000 1.211 492 I N 1.736 121.999 120.570 -0.513 0.000 2.742 492 I HA 0.044 4.216 4.170 0.004 0.000 0.287 492 I C 0.605 176.095 176.117 -1.044 0.000 1.186 492 I CA 0.225 60.819 61.300 -1.177 0.000 1.417 492 I CB -1.641 35.335 38.000 -1.707 0.000 1.377 492 I HN 0.665 nan 8.210 nan 0.000 0.556 493 W N 3.321 124.671 121.300 0.084 0.000 1.854 493 W HA -0.274 4.389 4.660 0.004 0.000 0.240 493 W C 0.545 177.164 176.519 0.167 0.000 0.968 493 W CA 0.029 57.448 57.345 0.123 0.000 0.439 493 W CB -1.479 27.987 29.460 0.009 0.000 1.972 493 W HN 0.388 nan 8.180 nan 0.000 1.436 494 L N 0.649 121.974 121.223 0.169 0.000 3.218 494 L HA 0.287 4.629 4.340 0.004 0.000 0.279 494 L C -1.133 175.801 176.870 0.107 0.000 1.287 494 L CA -0.769 54.168 54.840 0.162 0.000 1.024 494 L CB -0.973 41.166 42.059 0.133 0.000 1.409 494 L HN -0.111 nan 8.230 nan 0.000 0.580 495 P HA 0.168 nan 4.420 nan 0.000 0.214 495 P C 1.546 178.911 177.300 0.109 0.000 1.119 495 P CA 0.720 63.874 63.100 0.091 0.000 0.921 495 P CB 0.715 32.454 31.700 0.065 0.000 0.820 496 G N -0.162 108.711 108.800 0.121 0.000 2.484 496 G HA2 -0.230 3.733 3.960 0.004 0.000 0.215 496 G HA3 -0.230 3.733 3.960 0.004 0.000 0.215 496 G C 1.255 176.155 174.900 0.001 0.000 1.219 496 G CA 0.269 45.390 45.100 0.034 0.000 0.791 496 G HN 0.162 nan 8.290 nan 0.000 0.550 497 W N 0.808 122.111 121.300 0.004 0.000 2.596 497 W HA 0.076 4.738 4.660 0.004 0.000 0.255 497 W C 1.790 178.340 176.519 0.052 0.000 1.232 497 W CA 0.575 57.925 57.345 0.007 0.000 1.230 497 W CB -0.107 29.378 29.460 0.042 0.000 1.141 497 W HN 0.216 nan 8.180 nan 0.000 0.628 498 L N -1.857 119.490 121.223 0.206 0.000 2.467 498 L HA -0.004 4.338 4.340 0.004 0.000 0.213 498 L C 1.811 178.731 176.870 0.084 0.000 1.053 498 L CA 0.335 55.258 54.840 0.139 0.000 0.847 498 L CB -0.800 41.325 42.059 0.109 0.000 1.075 498 L HN -0.228 nan 8.230 nan 0.000 0.479 499 N N 0.542 119.275 118.700 0.055 0.000 2.258 499 N HA -0.185 4.557 4.740 0.004 0.000 0.187 499 N C 1.458 176.986 175.510 0.030 0.000 1.012 499 N CA 1.415 54.484 53.050 0.032 0.000 0.870 499 N CB 0.084 38.581 38.487 0.017 0.000 0.977 499 N HN 0.330 nan 8.380 nan 0.000 0.434 500 A N -0.049 122.792 122.820 0.036 0.000 2.343 500 A HA 0.184 4.506 4.320 0.004 0.000 0.223 500 A C 1.698 179.348 177.584 0.109 0.000 1.214 500 A CA -0.326 51.758 52.037 0.079 0.000 0.900 500 A CB -0.360 18.738 19.000 0.164 0.000 0.942 500 A HN 0.398 nan 8.150 nan 0.000 0.507 501 I N -2.030 118.614 120.570 0.122 0.000 2.354 501 I HA -0.241 3.931 4.170 0.004 0.000 0.258 501 I C 0.584 176.773 176.117 0.120 0.000 1.111 501 I CA 1.786 63.181 61.300 0.159 0.000 1.390 501 I CB -0.360 37.720 38.000 0.133 0.000 1.072 501 I HN 0.397 nan 8.210 nan 0.000 0.441 502 N N 0.863 119.601 118.700 0.063 0.000 3.261 502 N HA 0.057 4.799 4.740 0.004 0.000 0.227 502 N C -0.376 175.129 175.510 -0.009 0.000 1.338 502 N CA 0.221 53.282 53.050 0.018 0.000 0.833 502 N CB 0.892 39.366 38.487 -0.022 0.000 1.606 502 N HN 0.608 nan 8.380 nan 0.000 0.649 503 E N 2.627 122.822 120.200 -0.009 0.000 2.722 503 E HA 0.207 4.559 4.350 0.004 0.000 0.179 503 E C -0.075 176.503 176.600 -0.037 0.000 0.918 503 E CA -0.090 56.291 56.400 -0.031 0.000 1.334 503 E CB 0.048 29.733 29.700 -0.024 0.000 1.064 503 E HN 0.430 nan 8.360 nan 0.000 0.513 504 N N 0.098 118.782 118.700 -0.026 0.000 2.509 504 N HA -0.223 4.519 4.740 0.004 0.000 0.201 504 N C 0.737 176.251 175.510 0.006 0.000 1.341 504 N CA 1.625 54.652 53.050 -0.038 0.000 2.622 504 N CB -1.809 36.618 38.487 -0.100 0.000 0.861 504 N HN 0.202 nan 8.380 nan 0.000 0.466 505 S N 1.124 116.832 115.700 0.012 0.000 3.120 505 S HA 0.184 4.656 4.470 0.004 0.000 0.259 505 S C 0.664 175.245 174.600 -0.032 0.000 1.191 505 S CA 0.385 58.607 58.200 0.037 0.000 1.257 505 S CB -0.499 62.710 63.200 0.015 0.000 0.964 505 S HN 0.358 nan 8.310 nan 0.000 0.473 506 N N -0.290 118.416 118.700 0.010 0.000 2.026 506 N HA 0.070 4.812 4.740 0.004 0.000 0.239 506 N C 0.883 176.460 175.510 0.113 0.000 1.283 506 N CA 0.753 53.822 53.050 0.032 0.000 0.816 506 N CB -0.135 38.394 38.487 0.069 0.000 1.263 506 N HN 0.309 nan 8.380 nan 0.000 0.470 507 S N 1.020 116.780 115.700 0.100 0.000 2.474 507 S HA -0.241 4.231 4.470 0.004 0.000 0.267 507 S C 0.538 175.220 174.600 0.137 0.000 1.360 507 S CA 0.858 59.127 58.200 0.115 0.000 1.530 507 S CB -1.160 62.173 63.200 0.221 0.000 2.034 507 S HN 0.480 nan 8.310 nan 0.000 0.755 508 L N 2.227 123.525 121.223 0.124 0.000 2.999 508 L HA -0.126 4.217 4.340 0.004 0.000 0.304 508 L C 0.554 177.512 176.870 0.147 0.000 1.104 508 L CA 1.534 56.408 54.840 0.057 0.000 0.911 508 L CB -1.731 40.431 42.059 0.171 0.000 1.341 508 L HN 0.579 nan 8.230 nan 0.000 0.487 509 F N 3.067 123.090 119.950 0.123 0.000 3.100 509 F HA -0.304 4.225 4.527 0.004 0.000 0.283 509 F C 1.252 177.088 175.800 0.060 0.000 0.900 509 F CA 0.243 58.304 58.000 0.102 0.000 1.010 509 F CB -1.117 37.928 39.000 0.075 0.000 1.029 509 F HN 0.548 nan 8.300 nan 0.000 0.637 510 L N -1.669 119.662 121.223 0.179 0.000 4.461 510 L HA -0.232 4.110 4.340 0.004 0.000 0.562 510 L C 0.973 177.837 176.870 -0.010 0.000 1.193 510 L CA 1.398 56.262 54.840 0.041 0.000 0.524 510 L CB -1.396 40.653 42.059 -0.017 0.000 0.524 510 L HN 0.375 nan 8.230 nan 0.000 1.102 511 T N 1.537 116.025 114.554 -0.110 0.000 3.745 511 T HA 0.323 4.675 4.350 0.004 0.000 0.253 511 T C 1.144 175.734 174.700 -0.184 0.000 1.088 511 T CA -0.324 61.681 62.100 -0.158 0.000 0.969 511 T CB -1.423 67.326 68.868 -0.199 0.000 1.075 511 T HN 0.471 nan 8.240 nan 0.000 0.608 512 I N 2.170 122.655 120.570 -0.142 0.000 3.258 512 I HA -0.162 4.010 4.170 0.004 0.000 0.283 512 I C 1.408 177.387 176.117 -0.229 0.000 1.046 512 I CA 0.149 61.352 61.300 -0.162 0.000 2.198 512 I CB -0.648 37.279 38.000 -0.122 0.000 1.007 512 I HN 0.391 nan 8.210 nan 0.000 0.391 513 G N 7.909 116.506 108.800 -0.339 0.000 2.543 513 G HA2 0.607 4.570 3.960 0.004 0.000 0.290 513 G HA3 0.607 4.570 3.960 0.004 0.000 0.290 513 G C -2.727 171.939 174.900 -0.390 0.000 1.310 513 G CA -1.027 43.803 45.100 -0.450 0.000 1.025 513 G HN 0.457 nan 8.290 nan 0.000 0.502 514 P HA 0.349 nan 4.420 nan 0.000 0.301 514 P C 0.530 177.715 177.300 -0.192 0.000 1.338 514 P CA 0.469 63.400 63.100 -0.282 0.000 0.834 514 P CB 1.450 33.031 31.700 -0.198 0.000 0.967 515 G N 3.485 112.202 108.800 -0.139 0.000 2.225 515 G HA2 -0.317 3.645 3.960 0.004 0.000 0.254 515 G HA3 -0.317 3.645 3.960 0.004 0.000 0.254 515 G C 0.939 176.083 174.900 0.407 0.000 0.988 515 G CA 0.560 45.745 45.100 0.142 0.000 0.625 515 G HN 0.414 nan 8.290 nan 0.000 0.527 516 D N 0.038 120.537 120.400 0.165 0.000 2.345 516 D HA -0.217 4.425 4.640 0.004 0.000 0.190 516 D C 1.996 178.622 176.300 0.544 0.000 1.024 516 D CA 2.357 56.526 54.000 0.282 0.000 0.893 516 D CB -0.333 40.449 40.800 -0.030 0.000 0.907 516 D HN 0.771 nan 8.370 nan 0.000 0.452 517 F N -0.595 119.501 119.950 0.243 0.000 2.619 517 F HA 0.198 4.727 4.527 0.004 0.000 0.293 517 F C 1.475 177.444 175.800 0.282 0.000 1.119 517 F CA -0.013 58.184 58.000 0.329 0.000 1.445 517 F CB -0.973 38.200 39.000 0.289 0.000 1.119 517 F HN -0.135 nan 8.300 nan 0.000 0.573 518 L N 1.408 123.043 121.223 0.688 0.000 2.129 518 L HA -0.152 4.190 4.340 0.004 0.000 0.212 518 L C 2.750 179.837 176.870 0.363 0.000 1.087 518 L CA 1.869 56.861 54.840 0.253 0.000 0.757 518 L CB -1.183 40.821 42.059 -0.091 0.000 0.896 518 L HN 0.339 nan 8.230 nan 0.000 0.434 519 V N -4.508 115.744 119.914 0.562 0.000 2.575 519 V HA -0.105 4.018 4.120 0.004 0.000 0.242 519 V C 2.353 178.691 176.094 0.407 0.000 1.045 519 V CA 0.739 63.331 62.300 0.486 0.000 1.065 519 V CB -0.762 31.434 31.823 0.623 0.000 0.717 519 V HN 0.328 nan 8.190 nan 0.000 0.467 520 H N 0.398 119.723 119.070 0.425 0.000 2.251 520 H HA -0.100 4.458 4.556 0.003 0.000 0.294 520 H C 2.284 177.747 175.328 0.225 0.000 1.078 520 H CA 2.753 58.992 56.048 0.319 0.000 1.246 520 H CB -0.529 29.463 29.762 0.383 0.000 1.358 520 H HN 0.597 nan 8.280 nan 0.000 0.488 521 H N -0.276 118.887 119.070 0.154 0.000 2.497 521 H HA -0.255 4.303 4.556 0.003 0.000 0.294 521 H C 2.345 177.706 175.328 0.055 0.000 1.056 521 H CA 1.826 57.842 56.048 -0.054 0.000 1.124 521 H CB -1.045 28.532 29.762 -0.308 0.000 1.407 521 H HN 0.467 nan 8.280 nan 0.000 0.617 522 A N 0.474 123.440 122.820 0.243 0.000 1.997 522 A HA -0.333 3.989 4.320 0.004 0.000 0.226 522 A C 2.472 180.234 177.584 0.295 0.000 1.327 522 A CA 2.590 54.773 52.037 0.243 0.000 0.693 522 A CB -1.415 17.673 19.000 0.146 0.000 0.832 522 A HN 0.648 nan 8.150 nan 0.000 0.497 523 I N -2.018 118.681 120.570 0.214 0.000 2.761 523 I HA 0.129 4.302 4.170 0.004 0.000 0.261 523 I C 1.930 178.109 176.117 0.104 0.000 1.198 523 I CA 1.254 62.643 61.300 0.148 0.000 1.482 523 I CB -0.090 37.931 38.000 0.035 0.000 1.100 523 I HN 0.253 nan 8.210 nan 0.000 0.445 524 A N 0.562 123.432 122.820 0.083 0.000 2.302 524 A HA 0.135 4.458 4.320 0.004 0.000 0.219 524 A C 1.644 179.323 177.584 0.158 0.000 1.243 524 A CA 0.325 52.424 52.037 0.103 0.000 0.856 524 A CB -0.419 18.588 19.000 0.012 0.000 0.893 524 A HN 0.586 nan 8.150 nan 0.000 0.491 525 L N -0.915 120.401 121.223 0.155 0.000 2.117 525 L HA 0.359 4.701 4.340 0.004 0.000 0.200 525 L C 2.035 179.059 176.870 0.256 0.000 1.110 525 L CA 2.185 57.119 54.840 0.156 0.000 0.774 525 L CB -1.533 40.659 42.059 0.223 0.000 0.934 525 L HN 0.251 nan 8.230 nan 0.000 0.456 526 G N 1.465 110.496 108.800 0.385 0.000 2.907 526 G HA2 -0.406 3.556 3.960 0.004 0.000 0.235 526 G HA3 -0.406 3.556 3.960 0.004 0.000 0.235 526 G C 1.498 176.544 174.900 0.244 0.000 1.198 526 G CA 2.659 48.059 45.100 0.499 0.000 0.766 526 G HN 0.649 nan 8.290 nan 0.000 0.763 527 L N -0.683 120.591 121.223 0.086 0.000 2.241 527 L HA -0.373 3.970 4.340 0.004 0.000 0.244 527 L C 2.393 179.176 176.870 -0.145 0.000 1.128 527 L CA 2.542 57.341 54.840 -0.068 0.000 0.849 527 L CB -1.727 40.251 42.059 -0.135 0.000 0.965 527 L HN 0.417 nan 8.230 nan 0.000 0.444 528 H N -0.020 118.965 119.070 -0.142 0.000 2.562 528 H HA -0.060 4.498 4.556 0.004 0.000 0.292 528 H C 0.595 175.747 175.328 -0.293 0.000 1.092 528 H CA 1.120 57.056 56.048 -0.188 0.000 1.214 528 H CB -0.330 29.324 29.762 -0.181 0.000 1.329 528 H HN 0.518 nan 8.280 nan 0.000 0.625 529 T N -3.600 110.780 114.554 -0.291 0.000 3.993 529 T HA 0.034 4.386 4.350 0.004 0.000 0.314 529 T C 0.904 175.215 174.700 -0.648 0.000 0.879 529 T CA -0.011 61.722 62.100 -0.611 0.000 0.892 529 T CB 0.243 68.524 68.868 -0.979 0.000 1.155 529 T HN 0.174 nan 8.240 nan 0.000 0.677 530 T N 1.844 116.208 114.554 -0.316 0.000 3.087 530 T HA 0.164 4.516 4.350 0.004 0.000 0.283 530 T C 1.499 176.014 174.700 -0.308 0.000 0.956 530 T CA 0.618 62.585 62.100 -0.222 0.000 0.894 530 T CB 0.839 69.678 68.868 -0.049 0.000 1.160 530 T HN 0.621 nan 8.240 nan 0.000 0.532 531 T N 1.513 115.869 114.554 -0.330 0.000 4.510 531 T HA 0.291 4.643 4.350 0.004 0.000 0.300 531 T C 1.816 176.312 174.700 -0.340 0.000 1.079 531 T CA 0.392 62.244 62.100 -0.413 0.000 1.123 531 T CB -0.631 68.027 68.868 -0.349 0.000 2.102 531 T HN 0.162 nan 8.240 nan 0.000 0.438 532 L N 0.533 121.596 121.223 -0.267 0.000 2.828 532 L HA -0.378 3.964 4.340 0.004 0.000 0.199 532 L C 1.968 178.706 176.870 -0.220 0.000 1.280 532 L CA 2.345 57.057 54.840 -0.213 0.000 0.795 532 L CB -2.701 39.253 42.059 -0.175 0.000 1.042 532 L HN 0.731 nan 8.230 nan 0.000 0.423 533 I N -1.812 118.606 120.570 -0.254 0.000 2.148 533 I HA -0.407 3.765 4.170 0.004 0.000 0.229 533 I C 2.622 178.604 176.117 -0.225 0.000 0.993 533 I CA 1.966 63.126 61.300 -0.233 0.000 1.295 533 I CB -0.866 36.974 38.000 -0.268 0.000 1.004 533 I HN 0.395 nan 8.210 nan 0.000 0.386 534 L N 0.942 121.984 121.223 -0.302 0.000 1.997 534 L HA -0.197 4.145 4.340 0.004 0.000 0.227 534 L C 2.035 178.745 176.870 -0.266 0.000 1.087 534 L CA 2.135 56.772 54.840 -0.338 0.000 0.797 534 L CB -1.284 40.363 42.059 -0.686 0.000 0.902 534 L HN 0.395 nan 8.230 nan 0.000 0.441 535 V N -3.746 115.991 119.914 -0.295 0.000 3.273 535 V HA 0.103 4.225 4.120 0.004 0.000 0.379 535 V C 1.306 177.333 176.094 -0.112 0.000 1.256 535 V CA 0.261 62.461 62.300 -0.168 0.000 1.455 535 V CB -0.751 30.994 31.823 -0.129 0.000 1.247 535 V HN 0.417 nan 8.190 nan 0.000 0.469 536 K N 0.919 121.253 120.400 -0.111 0.000 2.889 536 K HA 0.304 4.626 4.320 0.004 0.000 0.209 536 K C 2.042 178.612 176.600 -0.049 0.000 1.651 536 K CA 0.432 56.681 56.287 -0.063 0.000 1.170 536 K CB -0.254 32.206 32.500 -0.065 0.000 1.981 536 K HN 0.385 nan 8.250 nan 0.000 0.522 537 G N 1.176 109.937 108.800 -0.065 0.000 2.743 537 G HA2 -0.292 3.670 3.960 0.004 0.000 0.222 537 G HA3 -0.292 3.670 3.960 0.004 0.000 0.222 537 G C 1.109 176.026 174.900 0.028 0.000 1.085 537 G CA 1.748 46.830 45.100 -0.029 0.000 0.716 537 G HN 0.404 nan 8.290 nan 0.000 0.604 538 A N -0.913 121.881 122.820 -0.044 0.000 2.011 538 A HA 0.557 4.879 4.320 0.004 0.000 0.204 538 A C 1.890 179.345 177.584 -0.214 0.000 1.520 538 A CA 0.808 52.764 52.037 -0.135 0.000 0.819 538 A CB -0.363 18.535 19.000 -0.169 0.000 1.087 538 A HN 0.280 nan 8.150 nan 0.000 0.526 539 L N 1.585 122.734 121.223 -0.123 0.000 1.868 539 L HA -0.068 4.274 4.340 0.004 0.000 0.222 539 L C 2.127 179.070 176.870 0.121 0.000 1.108 539 L CA 2.831 57.667 54.840 -0.007 0.000 0.822 539 L CB -1.101 40.980 42.059 0.036 0.000 0.891 539 L HN 0.635 nan 8.230 nan 0.000 0.441 540 D N 0.037 120.490 120.400 0.088 0.000 2.315 540 D HA -0.208 4.434 4.640 0.004 0.000 0.211 540 D C 1.418 177.776 176.300 0.097 0.000 0.977 540 D CA 1.158 55.212 54.000 0.091 0.000 0.894 540 D CB -0.134 40.698 40.800 0.052 0.000 0.910 540 D HN 0.471 nan 8.370 nan 0.000 0.490 541 A N 0.772 123.640 122.820 0.080 0.000 2.259 541 A HA -0.141 4.181 4.320 0.004 0.000 0.212 541 A C 2.133 179.807 177.584 0.150 0.000 1.178 541 A CA 0.439 52.537 52.037 0.102 0.000 0.734 541 A CB -0.825 18.227 19.000 0.086 0.000 0.774 541 A HN 0.070 nan 8.150 nan 0.000 0.481 542 R N -0.185 120.430 120.500 0.193 0.000 2.091 542 R HA -0.114 4.228 4.340 0.004 0.000 0.238 542 R C 1.529 177.925 176.300 0.159 0.000 1.136 542 R CA 2.241 58.485 56.100 0.241 0.000 0.959 542 R CB -0.527 29.931 30.300 0.263 0.000 0.856 542 R HN 0.506 nan 8.270 nan 0.000 0.437 543 G N -2.190 106.685 108.800 0.124 0.000 2.920 543 G HA2 0.079 4.041 3.960 0.004 0.000 0.215 543 G HA3 0.079 4.041 3.960 0.004 0.000 0.215 543 G C 0.189 175.136 174.900 0.079 0.000 1.523 543 G CA 0.906 46.066 45.100 0.100 0.000 0.667 543 G HN 0.517 nan 8.290 nan 0.000 1.029 544 S N -0.837 114.906 115.700 0.071 0.000 3.917 544 S HA -0.186 4.286 4.470 0.004 0.000 0.630 544 S C 0.802 175.430 174.600 0.046 0.000 2.135 544 S CA 2.032 60.264 58.200 0.054 0.000 3.637 544 S CB -1.337 61.893 63.200 0.050 0.000 0.256 544 S HN 1.127 nan 8.310 nan 0.000 0.925 545 K N -0.519 119.903 120.400 0.037 0.000 2.183 545 K HA 0.176 4.498 4.320 0.004 0.000 0.145 545 K C 1.814 178.430 176.600 0.026 0.000 2.020 545 K CA 0.566 56.873 56.287 0.033 0.000 1.116 545 K CB -0.848 31.670 32.500 0.031 0.000 2.056 545 K HN 0.463 nan 8.250 nan 0.000 0.480 546 L N 1.386 122.622 121.223 0.022 0.000 1.951 546 L HA -0.135 4.208 4.340 0.004 0.000 0.222 546 L C 1.127 178.000 176.870 0.004 0.000 1.078 546 L CA 2.342 57.190 54.840 0.014 0.000 0.778 546 L CB -0.209 41.860 42.059 0.016 0.000 0.893 546 L HN 0.332 nan 8.230 nan 0.000 0.436 547 M N -2.022 117.573 119.600 -0.008 0.000 2.634 547 M HA 0.349 4.831 4.480 0.004 0.000 0.211 547 M C -2.363 173.938 176.300 0.001 0.000 1.019 547 M CA -1.622 53.652 55.300 -0.044 0.000 0.834 547 M CB 0.557 33.049 32.600 -0.179 0.000 1.376 547 M HN -0.228 nan 8.290 nan 0.000 0.465 548 P HA 0.052 nan 4.420 nan 0.000 0.271 548 P C -1.059 176.297 177.300 0.093 0.000 1.601 548 P CA 0.777 63.915 63.100 0.063 0.000 0.856 548 P CB -0.585 31.149 31.700 0.056 0.000 1.820 549 D N -3.133 117.341 120.400 0.123 0.000 2.656 549 D HA -0.062 4.580 4.640 0.004 0.000 0.384 549 D C 1.028 177.536 176.300 0.346 0.000 1.347 549 D CA -0.321 53.802 54.000 0.205 0.000 0.970 549 D CB -0.572 40.372 40.800 0.240 0.000 1.549 549 D HN 0.045 nan 8.370 nan 0.000 0.401 550 K N 2.170 122.681 120.400 0.184 0.000 2.362 550 K HA -0.225 4.098 4.320 0.004 0.000 0.202 550 K C 1.659 178.341 176.600 0.138 0.000 1.045 550 K CA 1.029 57.364 56.287 0.081 0.000 0.936 550 K CB -0.339 32.112 32.500 -0.082 0.000 0.747 550 K HN 0.124 nan 8.250 nan 0.000 0.467 551 K N 1.699 122.185 120.400 0.144 0.000 2.032 551 K HA -0.256 4.066 4.320 0.004 0.000 0.218 551 K C 1.173 177.824 176.600 0.086 0.000 1.054 551 K CA 2.342 58.704 56.287 0.125 0.000 0.941 551 K CB -0.931 31.639 32.500 0.116 0.000 0.720 551 K HN 0.244 nan 8.250 nan 0.000 0.449 552 D N 0.671 121.098 120.400 0.044 0.000 2.119 552 D HA -0.093 4.549 4.640 0.004 0.000 0.199 552 D C 1.950 178.194 176.300 -0.094 0.000 0.987 552 D CA 1.447 55.399 54.000 -0.080 0.000 0.858 552 D CB -0.697 39.954 40.800 -0.247 0.000 1.008 552 D HN 0.159 nan 8.370 nan 0.000 0.450 553 F N 0.803 120.667 119.950 -0.143 0.000 2.076 553 F HA -0.193 4.336 4.527 0.004 0.000 0.294 553 F C 1.950 177.632 175.800 -0.197 0.000 1.078 553 F CA 1.844 59.681 58.000 -0.271 0.000 1.247 553 F CB -0.904 37.728 39.000 -0.613 0.000 0.984 553 F HN 0.290 nan 8.300 nan 0.000 0.491 554 G N -2.210 106.626 108.800 0.061 0.000 2.341 554 G HA2 -0.260 3.702 3.960 0.004 0.000 0.196 554 G HA3 -0.260 3.702 3.960 0.004 0.000 0.196 554 G C -0.236 174.821 174.900 0.262 0.000 1.231 554 G CA -0.076 45.111 45.100 0.146 0.000 1.155 554 G HN 0.198 nan 8.290 nan 0.000 0.529 555 Y N 0.928 121.341 120.300 0.187 0.000 2.581 555 Y HA 0.482 5.034 4.550 0.003 0.000 0.271 555 Y C 2.041 178.143 175.900 0.337 0.000 1.100 555 Y CA 1.531 59.775 58.100 0.240 0.000 1.281 555 Y CB 0.525 39.081 38.460 0.162 0.000 1.237 555 Y HN 1.096 nan 8.280 nan 0.000 0.514 556 S N 1.339 117.213 115.700 0.291 0.000 2.256 556 S HA 0.283 4.755 4.470 0.004 0.000 0.210 556 S C -0.676 174.007 174.600 0.139 0.000 1.329 556 S CA -0.799 57.441 58.200 0.068 0.000 1.267 556 S CB -1.870 61.265 63.200 -0.109 0.000 1.086 556 S HN 0.307 nan 8.310 nan 0.000 0.468 557 F N 0.176 120.123 119.950 -0.005 0.000 2.350 557 F HA 0.642 5.171 4.527 0.003 0.000 0.365 557 F C -2.791 172.998 175.800 -0.019 0.000 1.122 557 F CA -2.941 55.070 58.000 0.019 0.000 1.139 557 F CB 0.067 39.131 39.000 0.108 0.000 1.220 557 F HN 0.019 nan 8.300 nan 0.000 0.499 558 P HA -0.182 nan 4.420 nan 0.000 0.243 558 P C 0.717 177.892 177.300 -0.208 0.000 1.107 558 P CA 0.149 63.131 63.100 -0.197 0.000 0.848 558 P CB -0.512 31.138 31.700 -0.084 0.000 0.771 559 C N 2.821 121.933 119.300 -0.313 0.000 0.168 559 C HA -0.292 4.170 4.460 0.004 0.000 0.017 559 C C 1.288 176.220 174.990 -0.097 0.000 0.171 559 C CA 1.351 60.251 59.018 -0.196 0.000 0.499 559 C CB -1.488 26.227 27.740 -0.042 0.000 3.212 559 C HN 0.575 nan 8.230 nan 0.000 1.118 560 D N -0.901 119.507 120.400 0.014 0.000 2.097 560 D HA 0.438 5.080 4.640 0.004 0.000 0.325 560 D C 0.644 176.987 176.300 0.072 0.000 1.087 560 D CA 2.197 56.230 54.000 0.056 0.000 0.917 560 D CB 0.783 41.609 40.800 0.043 0.000 1.784 560 D HN 2.334 nan 8.370 nan 0.000 0.532 561 G N 0.932 109.778 108.800 0.077 0.000 2.712 561 G HA2 -0.165 3.797 3.960 0.004 0.000 0.686 561 G HA3 -0.165 3.797 3.960 0.004 0.000 0.686 561 G C -1.861 173.066 174.900 0.046 0.000 1.321 561 G CA -0.463 44.677 45.100 0.067 0.000 0.813 561 G HN -0.008 nan 8.290 nan 0.000 0.599 562 P HA -0.144 nan 4.420 nan 0.000 0.220 562 P C 1.631 178.942 177.300 0.019 0.000 1.146 562 P CA 1.913 65.023 63.100 0.016 0.000 0.816 562 P CB -0.436 31.273 31.700 0.014 0.000 0.764 563 G N 2.666 111.482 108.800 0.028 0.000 2.721 563 G HA2 -0.194 3.768 3.960 0.004 0.000 0.291 563 G HA3 -0.194 3.768 3.960 0.004 0.000 0.291 563 G C 0.561 175.472 174.900 0.019 0.000 0.451 563 G CA -0.002 45.114 45.100 0.027 0.000 1.150 563 G HN 0.532 nan 8.290 nan 0.000 0.217 564 R N 1.900 122.410 120.500 0.017 0.000 2.747 564 R HA -0.169 4.173 4.340 0.004 0.000 0.236 564 R C 0.557 176.862 176.300 0.008 0.000 0.819 564 R CA 1.068 57.176 56.100 0.013 0.000 0.575 564 R CB -2.326 27.983 30.300 0.015 0.000 1.219 564 R HN 2.084 nan 8.270 nan 0.000 0.518 565 G N 0.775 109.578 108.800 0.004 0.000 2.465 565 G HA2 0.134 4.096 3.960 0.004 0.000 0.310 565 G HA3 0.134 4.096 3.960 0.004 0.000 0.310 565 G C 0.902 175.802 174.900 -0.001 0.000 0.299 565 G CA 0.864 45.963 45.100 -0.002 0.000 1.113 565 G HN 1.653 nan 8.290 nan 0.000 0.469 566 G N 0.283 109.084 108.800 0.002 0.000 4.657 566 G HA2 0.525 4.487 3.960 0.004 0.000 0.224 566 G HA3 0.525 4.487 3.960 0.004 0.000 0.224 566 G C -0.159 174.745 174.900 0.007 0.000 1.018 566 G CA 0.584 45.687 45.100 0.004 0.000 1.236 566 G HN 1.814 nan 8.290 nan 0.000 0.677 567 T N -2.625 111.934 114.554 0.009 0.000 3.041 567 T HA 0.707 5.059 4.350 0.004 0.000 0.321 567 T C -0.803 173.909 174.700 0.021 0.000 1.184 567 T CA -0.290 61.819 62.100 0.015 0.000 1.050 567 T CB 2.052 70.931 68.868 0.018 0.000 1.159 567 T HN 1.510 nan 8.240 nan 0.000 0.469 568 C N 3.408 122.721 119.300 0.021 0.000 2.741 568 C HA 0.432 4.894 4.460 0.004 0.000 0.309 568 C C -1.351 173.655 174.990 0.027 0.000 1.231 568 C CA 0.085 59.129 59.018 0.044 0.000 1.177 568 C CB -0.012 27.788 27.740 0.099 0.000 1.285 568 C HN 1.711 nan 8.230 nan 0.000 0.487 569 D N 1.267 121.683 120.400 0.027 0.000 7.919 569 D HA -0.113 4.529 4.640 0.004 0.000 0.109 569 D C -0.159 176.045 176.300 -0.160 0.000 1.117 569 D CA 1.525 55.460 54.000 -0.108 0.000 0.840 569 D CB -0.003 40.718 40.800 -0.133 0.000 1.658 569 D HN 0.993 nan 8.370 nan 0.000 0.949 570 I N 1.000 121.380 120.570 -0.317 0.000 4.887 570 I HA 0.124 4.296 4.170 0.004 0.000 0.349 570 I C -0.153 175.746 176.117 -0.364 0.000 1.266 570 I CA -0.097 61.026 61.300 -0.294 0.000 1.376 570 I CB 0.518 38.373 38.000 -0.241 0.000 1.556 570 I HN 0.336 nan 8.210 nan 0.000 0.530 571 S N 1.997 117.333 115.700 -0.608 0.000 2.573 571 S HA 0.174 4.646 4.470 0.004 0.000 0.297 571 S C 1.626 176.190 174.600 -0.061 0.000 1.280 571 S CA 0.495 58.596 58.200 -0.164 0.000 1.061 571 S CB 1.031 64.282 63.200 0.085 0.000 0.812 571 S HN 0.494 nan 8.310 nan 0.000 0.500 572 A N 2.997 125.803 122.820 -0.022 0.000 2.070 572 A HA -0.112 4.210 4.320 0.004 0.000 0.220 572 A C 1.664 178.950 177.584 -0.497 0.000 1.159 572 A CA 1.298 53.260 52.037 -0.127 0.000 0.656 572 A CB -0.742 18.328 19.000 0.116 0.000 0.800 572 A HN 1.030 nan 8.150 nan 0.000 0.453 573 W N 2.381 123.017 121.300 -1.107 0.000 2.354 573 W HA -0.196 4.467 4.660 0.004 0.000 0.315 573 W C 1.028 177.419 176.519 -0.214 0.000 1.206 573 W CA 1.776 58.612 57.345 -0.847 0.000 1.290 573 W CB -0.151 28.901 29.460 -0.680 0.000 1.152 573 W HN 0.488 nan 8.180 nan 0.000 0.489 574 D N -0.778 119.406 120.400 -0.361 0.000 2.395 574 D HA -0.069 4.573 4.640 0.004 0.000 0.250 574 D C 0.789 176.917 176.300 -0.287 0.000 1.203 574 D CA 0.584 54.176 54.000 -0.680 0.000 0.872 574 D CB -0.520 39.929 40.800 -0.584 0.000 0.941 574 D HN 0.145 nan 8.370 nan 0.000 0.504 575 D N -1.013 119.239 120.400 -0.247 0.000 2.469 575 D HA 0.040 4.682 4.640 0.004 0.000 0.240 575 D C 1.196 177.370 176.300 -0.211 0.000 1.087 575 D CA -0.107 53.790 54.000 -0.172 0.000 0.876 575 D CB -0.097 40.635 40.800 -0.113 0.000 1.160 575 D HN 0.262 nan 8.370 nan 0.000 0.497 576 F N 0.882 120.611 119.950 -0.368 0.000 2.186 576 F HA -0.033 4.496 4.527 0.003 0.000 0.299 576 F C 0.528 176.021 175.800 -0.513 0.000 1.090 576 F CA 0.416 58.197 58.000 -0.365 0.000 1.307 576 F CB -0.250 38.584 39.000 -0.277 0.000 1.019 576 F HN -0.156 nan 8.300 nan 0.000 0.489 577 Y N 2.460 122.294 120.300 -0.778 0.000 2.442 577 Y HA 0.319 4.871 4.550 0.003 0.000 0.330 577 Y C 0.603 176.102 175.900 -0.668 0.000 1.129 577 Y CA -0.527 57.003 58.100 -0.950 0.000 1.365 577 Y CB 0.504 38.254 38.460 -1.184 0.000 1.233 577 Y HN 0.271 nan 8.280 nan 0.000 0.529 578 L N 3.423 124.067 121.223 -0.965 0.000 2.231 578 L HA -0.331 4.011 4.340 0.004 0.000 0.470 578 L C 1.890 178.516 176.870 -0.405 0.000 0.724 578 L CA 2.026 56.590 54.840 -0.460 0.000 3.325 578 L CB -2.412 39.537 42.059 -0.184 0.000 0.572 578 L HN 0.743 nan 8.230 nan 0.000 0.798 579 A N -0.106 122.430 122.820 -0.473 0.000 1.892 579 A HA -0.153 4.169 4.320 0.004 0.000 0.218 579 A C 2.003 179.223 177.584 -0.607 0.000 1.188 579 A CA 2.979 54.734 52.037 -0.470 0.000 0.631 579 A CB -0.652 18.077 19.000 -0.452 0.000 0.822 579 A HN 0.387 nan 8.150 nan 0.000 0.447 580 V N -1.191 118.139 119.914 -0.974 0.000 3.305 580 V HA -0.142 3.981 4.120 0.004 0.000 0.269 580 V C 1.995 177.631 176.094 -0.763 0.000 1.157 580 V CA 1.170 62.889 62.300 -0.969 0.000 1.157 580 V CB -1.074 30.024 31.823 -1.207 0.000 0.772 580 V HN 0.577 nan 8.190 nan 0.000 0.498 581 F N -1.394 118.169 119.950 -0.644 0.000 2.094 581 F HA -0.128 4.401 4.527 0.003 0.000 0.291 581 F C 2.141 177.692 175.800 -0.415 0.000 1.109 581 F CA 1.438 59.113 58.000 -0.541 0.000 1.221 581 F CB -0.237 38.442 39.000 -0.535 0.000 1.014 581 F HN 0.171 nan 8.300 nan 0.000 0.473 582 W N 0.419 121.577 121.300 -0.237 0.000 2.421 582 W HA -0.208 4.455 4.660 0.004 0.000 0.270 582 W C 2.436 178.763 176.519 -0.320 0.000 1.233 582 W CA 0.990 58.170 57.345 -0.275 0.000 1.226 582 W CB -0.031 29.278 29.460 -0.252 0.000 1.121 582 W HN 0.002 nan 8.180 nan 0.000 0.579 583 M N -0.298 119.211 119.600 -0.152 0.000 2.098 583 M HA -0.121 4.361 4.480 0.004 0.000 0.262 583 M C 1.682 177.809 176.300 -0.288 0.000 1.072 583 M CA 1.833 56.998 55.300 -0.224 0.000 1.133 583 M CB -1.357 31.061 32.600 -0.304 0.000 1.344 583 M HN 0.065 nan 8.290 nan 0.000 0.414 584 L N 0.954 121.965 121.223 -0.354 0.000 2.265 584 L HA -0.220 4.122 4.340 0.004 0.000 0.215 584 L C 2.246 178.872 176.870 -0.408 0.000 1.117 584 L CA 1.308 55.933 54.840 -0.358 0.000 0.782 584 L CB -1.094 40.647 42.059 -0.530 0.000 0.914 584 L HN 0.453 nan 8.230 nan 0.000 0.441 585 N N 0.220 118.616 118.700 -0.507 0.000 2.058 585 N HA -0.170 4.572 4.740 0.004 0.000 0.191 585 N C 1.611 176.622 175.510 -0.833 0.000 1.037 585 N CA 2.101 54.671 53.050 -0.799 0.000 0.848 585 N CB -0.159 37.620 38.487 -1.179 0.000 1.021 585 N HN 0.057 nan 8.380 nan 0.000 0.422 586 T N 0.028 114.255 114.554 -0.544 0.000 3.051 586 T HA 0.057 4.409 4.350 0.004 0.000 0.269 586 T C 1.603 176.168 174.700 -0.225 0.000 1.127 586 T CA 0.731 62.651 62.100 -0.300 0.000 1.107 586 T CB -0.110 68.711 68.868 -0.079 0.000 0.898 586 T HN 0.281 nan 8.240 nan 0.000 0.517 587 I N 0.456 120.870 120.570 -0.260 0.000 3.265 587 I HA 0.196 4.368 4.170 0.004 0.000 0.282 587 I C 2.826 178.754 176.117 -0.316 0.000 1.207 587 I CA 0.271 61.419 61.300 -0.252 0.000 1.449 587 I CB -0.687 37.191 38.000 -0.202 0.000 1.121 587 I HN 0.196 nan 8.210 nan 0.000 0.442 588 G N 1.631 110.226 108.800 -0.342 0.000 2.663 588 G HA2 -0.266 3.697 3.960 0.004 0.000 0.222 588 G HA3 -0.266 3.697 3.960 0.004 0.000 0.222 588 G C 1.220 175.752 174.900 -0.615 0.000 1.146 588 G CA 1.190 46.050 45.100 -0.400 0.000 0.764 588 G HN 0.301 nan 8.290 nan 0.000 0.608 589 W N 0.040 121.116 121.300 -0.374 0.000 2.651 589 W HA 0.199 4.861 4.660 0.003 0.000 0.311 589 W C 1.972 178.261 176.519 -0.384 0.000 1.114 589 W CA 0.216 57.371 57.345 -0.316 0.000 1.490 589 W CB -1.208 28.237 29.460 -0.025 0.000 1.182 589 W HN -0.037 nan 8.180 nan 0.000 0.495 590 V N 2.132 122.050 119.914 0.006 0.000 3.199 590 V HA -0.077 4.046 4.120 0.004 0.000 0.327 590 V C 0.631 176.680 176.094 -0.075 0.000 1.237 590 V CA 1.530 63.822 62.300 -0.013 0.000 1.415 590 V CB -2.209 29.572 31.823 -0.070 0.000 1.084 590 V HN 0.206 nan 8.190 nan 0.000 0.416 591 T N -1.671 112.796 114.554 -0.144 0.000 3.046 591 T HA 0.241 4.593 4.350 0.004 0.000 0.270 591 T C 1.117 176.007 174.700 0.317 0.000 0.920 591 T CA -0.109 61.971 62.100 -0.033 0.000 0.874 591 T CB 0.049 68.807 68.868 -0.183 0.000 1.214 591 T HN 0.317 nan 8.240 nan 0.000 0.536 592 F N 1.863 122.058 119.950 0.407 0.000 1.990 592 F HA 0.154 4.683 4.527 0.003 0.000 0.294 592 F C 1.321 177.338 175.800 0.362 0.000 1.177 592 F CA -0.454 57.791 58.000 0.408 0.000 1.167 592 F CB -1.228 37.842 39.000 0.116 0.000 0.971 592 F HN 0.124 nan 8.300 nan 0.000 0.483 593 Y N -0.593 120.077 120.300 0.618 0.000 3.012 593 Y HA -0.120 4.432 4.550 0.004 0.000 0.348 593 Y C 0.505 176.691 175.900 0.476 0.000 1.280 593 Y CA 0.451 58.927 58.100 0.626 0.000 1.492 593 Y CB -0.134 38.679 38.460 0.588 0.000 1.315 593 Y HN 0.434 nan 8.280 nan 0.000 0.651 594 W N 0.690 122.405 121.300 0.691 0.000 1.616 594 W HA -0.438 4.224 4.660 0.003 0.000 0.274 594 W C 2.567 179.033 176.519 -0.088 0.000 1.827 594 W CA 2.052 59.286 57.345 -0.185 0.000 2.176 594 W CB -1.646 27.575 29.460 -0.398 0.000 1.002 594 W HN 0.834 nan 8.180 nan 0.000 0.442 595 H N -1.594 117.643 119.070 0.278 0.000 2.257 595 H HA -0.241 4.317 4.556 0.004 0.000 0.292 595 H C 0.551 176.006 175.328 0.212 0.000 1.075 595 H CA 1.713 57.915 56.048 0.257 0.000 1.212 595 H CB -0.489 29.489 29.762 0.360 0.000 1.354 595 H HN 0.081 nan 8.280 nan 0.000 0.497 596 W N 2.116 123.256 121.300 -0.266 0.000 2.193 596 W HA 0.091 4.753 4.660 0.003 0.000 0.338 596 W C 0.502 176.950 176.519 -0.118 0.000 1.310 596 W CA 0.295 57.457 57.345 -0.306 0.000 1.243 596 W CB 0.122 29.215 29.460 -0.612 0.000 1.165 596 W HN 0.255 nan 8.180 nan 0.000 0.566 597 K N 1.860 122.196 120.400 -0.107 0.000 2.415 597 K HA -0.327 3.995 4.320 0.004 0.000 0.845 597 K C 0.693 177.217 176.600 -0.126 0.000 2.280 597 K CA 1.169 57.376 56.287 -0.133 0.000 1.466 597 K CB -0.816 31.620 32.500 -0.106 0.000 2.745 597 K HN 0.835 nan 8.250 nan 0.000 0.172 598 H N -1.148 117.522 119.070 -0.666 0.000 1.544 598 H HA -0.305 4.253 4.556 0.003 0.000 0.090 598 H C 1.687 176.132 175.328 -1.470 0.000 0.539 598 H CA 2.466 57.820 56.048 -1.157 0.000 1.893 598 H CB -1.471 27.758 29.762 -0.890 0.000 2.246 598 H HN 0.610 nan 8.280 nan 0.000 0.960 599 I N 0.514 120.792 120.570 -0.486 0.000 2.103 599 I HA -0.372 3.800 4.170 0.004 0.000 0.241 599 I C 2.474 178.419 176.117 -0.287 0.000 1.036 599 I CA 2.953 64.164 61.300 -0.149 0.000 1.300 599 I CB -0.495 37.489 38.000 -0.026 0.000 1.010 599 I HN 0.833 nan 8.210 nan 0.000 0.406 600 T N 0.210 114.578 114.554 -0.311 0.000 2.360 600 T HA -0.378 3.974 4.350 0.004 0.000 0.226 600 T C 1.597 176.090 174.700 -0.346 0.000 1.465 600 T CA 2.353 64.260 62.100 -0.322 0.000 1.117 600 T CB -1.342 67.297 68.868 -0.382 0.000 0.844 600 T HN 0.285 nan 8.240 nan 0.000 0.424 601 L N 0.140 121.057 121.223 -0.510 0.000 1.976 601 L HA -0.127 4.215 4.340 0.004 0.000 0.223 601 L C 2.870 179.504 176.870 -0.393 0.000 1.081 601 L CA 2.261 56.795 54.840 -0.511 0.000 0.784 601 L CB -1.323 40.294 42.059 -0.737 0.000 0.896 601 L HN 0.522 nan 8.230 nan 0.000 0.438 602 W N -0.465 120.675 121.300 -0.268 0.000 2.504 602 W HA -0.119 4.543 4.660 0.004 0.000 0.257 602 W C 1.528 177.843 176.519 -0.339 0.000 1.225 602 W CA 0.568 57.616 57.345 -0.495 0.000 1.205 602 W CB -0.843 28.073 29.460 -0.905 0.000 1.137 602 W HN 0.208 nan 8.180 nan 0.000 0.612 603 R N -0.390 120.066 120.500 -0.073 0.000 2.690 603 R HA 0.229 4.571 4.340 0.004 0.000 0.419 603 R C 1.508 177.758 176.300 -0.082 0.000 1.090 603 R CA 0.406 56.471 56.100 -0.060 0.000 1.064 603 R CB 0.400 30.690 30.300 -0.017 0.000 1.391 603 R HN 0.181 nan 8.270 nan 0.000 0.586 604 G N 1.547 110.280 108.800 -0.111 0.000 2.934 604 G HA2 -0.395 3.567 3.960 0.004 0.000 0.231 604 G HA3 -0.395 3.567 3.960 0.004 0.000 0.231 604 G C 0.562 175.387 174.900 -0.126 0.000 1.235 604 G CA 0.579 45.612 45.100 -0.111 0.000 0.812 604 G HN 0.444 nan 8.290 nan 0.000 0.521 605 N N 1.065 119.699 118.700 -0.110 0.000 2.411 605 N HA 0.221 4.963 4.740 0.004 0.000 0.282 605 N C 0.499 175.911 175.510 -0.163 0.000 1.322 605 N CA 0.974 53.957 53.050 -0.112 0.000 0.943 605 N CB 0.909 39.350 38.487 -0.077 0.000 1.266 605 N HN 0.531 nan 8.380 nan 0.000 0.486 606 V N 3.075 122.883 119.914 -0.176 0.000 2.933 606 V HA 0.153 4.275 4.120 0.004 0.000 0.374 606 V C 0.637 176.602 176.094 -0.215 0.000 1.321 606 V CA 0.021 62.184 62.300 -0.228 0.000 1.290 606 V CB -0.575 31.100 31.823 -0.247 0.000 1.346 606 V HN 0.648 nan 8.190 nan 0.000 0.560 607 S N -0.337 115.253 115.700 -0.184 0.000 2.539 607 S HA 0.025 4.497 4.470 0.004 0.000 0.221 607 S C 1.457 175.913 174.600 -0.240 0.000 0.987 607 S CA 0.311 58.409 58.200 -0.170 0.000 0.929 607 S CB 0.454 63.594 63.200 -0.100 0.000 0.832 607 S HN 0.638 nan 8.310 nan 0.000 0.492 608 Q N 0.639 120.263 119.800 -0.292 0.000 2.364 608 Q HA 0.070 4.412 4.340 0.004 0.000 0.209 608 Q C 0.444 175.758 176.000 -1.143 0.000 0.977 608 Q CA 1.092 56.625 55.803 -0.450 0.000 0.885 608 Q CB -0.082 28.494 28.738 -0.270 0.000 0.941 608 Q HN 0.493 nan 8.270 nan 0.000 0.464 609 F N -1.289 118.065 119.950 -0.994 0.000 3.145 609 F HA 0.315 4.844 4.527 0.003 0.000 0.324 609 F C 0.820 176.274 175.800 -0.577 0.000 1.467 609 F CA -0.364 57.007 58.000 -1.048 0.000 1.048 609 F CB -0.030 38.444 39.000 -0.877 0.000 1.698 609 F HN 0.065 nan 8.300 nan 0.000 0.427 610 N N 0.570 119.259 118.700 -0.019 0.000 3.401 610 N HA -0.333 4.409 4.740 0.004 0.000 0.217 610 N C 1.386 176.867 175.510 -0.048 0.000 0.158 610 N CA 2.360 55.290 53.050 -0.201 0.000 3.479 610 N CB -1.093 37.246 38.487 -0.247 0.000 1.108 610 N HN 0.598 nan 8.380 nan 0.000 0.294 611 E N 1.134 121.298 120.200 -0.060 0.000 2.013 611 E HA -0.100 4.252 4.350 0.004 0.000 0.202 611 E C 1.841 178.478 176.600 0.061 0.000 1.018 611 E CA 2.226 58.620 56.400 -0.011 0.000 0.834 611 E CB -0.179 29.504 29.700 -0.027 0.000 0.770 611 E HN 0.671 nan 8.360 nan 0.000 0.459 612 S N -0.190 115.500 115.700 -0.017 0.000 2.211 612 S HA -0.074 4.398 4.470 0.004 0.000 0.158 612 S C 0.920 175.521 174.600 0.003 0.000 1.361 612 S CA 0.218 58.419 58.200 0.002 0.000 2.285 612 S CB -0.908 62.220 63.200 -0.119 0.000 0.432 612 S HN 0.275 nan 8.310 nan 0.000 0.351 613 S N 2.133 117.596 115.700 -0.395 0.000 4.176 613 S HA 0.017 4.489 4.470 0.004 0.000 0.501 613 S C -0.079 174.599 174.600 0.129 0.000 0.996 613 S CA 0.689 58.628 58.200 -0.435 0.000 1.361 613 S CB -1.618 60.697 63.200 -1.475 0.000 0.860 613 S HN 1.047 nan 8.310 nan 0.000 0.534 614 T N 2.516 117.257 114.554 0.312 0.000 5.374 614 T HA 0.239 4.591 4.350 0.004 0.000 0.315 614 T C -0.718 174.297 174.700 0.526 0.000 0.916 614 T CA -0.072 62.240 62.100 0.353 0.000 0.459 614 T CB -1.737 67.284 68.868 0.255 0.000 0.512 614 T HN 1.754 nan 8.240 nan 0.000 0.228 615 Y N 0.265 120.795 120.300 0.384 0.000 1.953 615 Y HA 0.215 4.767 4.550 0.003 0.000 0.310 615 Y C -0.008 176.023 175.900 0.218 0.000 1.281 615 Y CA -1.398 56.856 58.100 0.256 0.000 1.725 615 Y CB -0.181 38.364 38.460 0.142 0.000 1.240 615 Y HN 0.168 nan 8.280 nan 0.000 0.383 616 L N 2.358 123.624 121.223 0.071 0.000 2.313 616 L HA 0.045 4.387 4.340 0.004 0.000 0.214 616 L C 1.845 178.661 176.870 -0.090 0.000 1.119 616 L CA 1.548 56.447 54.840 0.098 0.000 0.809 616 L CB -0.255 41.798 42.059 -0.011 0.000 0.933 616 L HN 0.874 nan 8.230 nan 0.000 0.449 617 M N 2.051 121.537 119.600 -0.190 0.000 2.260 617 M HA -0.077 4.405 4.480 0.004 0.000 0.261 617 M C 2.049 178.187 176.300 -0.270 0.000 1.066 617 M CA 1.863 57.055 55.300 -0.180 0.000 1.082 617 M CB -0.825 31.716 32.600 -0.099 0.000 1.388 617 M HN 0.384 nan 8.290 nan 0.000 0.419 618 G N -0.544 107.941 108.800 -0.525 0.000 2.553 618 G HA2 -0.301 3.661 3.960 0.004 0.000 0.218 618 G HA3 -0.301 3.661 3.960 0.004 0.000 0.218 618 G C 1.080 175.682 174.900 -0.498 0.000 1.195 618 G CA 1.360 46.239 45.100 -0.368 0.000 0.779 618 G HN 0.657 nan 8.290 nan 0.000 0.577 619 W N 0.363 121.299 121.300 -0.607 0.000 2.298 619 W HA -0.067 4.595 4.660 0.003 0.000 0.328 619 W C 2.639 178.810 176.519 -0.580 0.000 1.259 619 W CA 0.826 57.668 57.345 -0.837 0.000 1.251 619 W CB -0.902 28.250 29.460 -0.513 0.000 1.161 619 W HN 0.159 nan 8.180 nan 0.000 0.466 620 L N 0.550 121.690 121.223 -0.138 0.000 1.970 620 L HA -0.277 4.065 4.340 0.004 0.000 0.212 620 L C 2.884 179.705 176.870 -0.082 0.000 1.071 620 L CA 2.472 57.233 54.840 -0.131 0.000 0.751 620 L CB -0.760 41.233 42.059 -0.111 0.000 0.889 620 L HN 0.032 nan 8.230 nan 0.000 0.432 621 R N -0.907 119.549 120.500 -0.073 0.000 2.103 621 R HA -0.194 4.149 4.340 0.004 0.000 0.234 621 R C 1.171 177.599 176.300 0.213 0.000 1.132 621 R CA 2.121 58.246 56.100 0.041 0.000 0.925 621 R CB -0.566 29.726 30.300 -0.012 0.000 0.842 621 R HN 0.230 nan 8.270 nan 0.000 0.430 622 D N -2.012 118.441 120.400 0.088 0.000 2.556 622 D HA 0.056 4.698 4.640 0.004 0.000 0.237 622 D C 0.035 176.409 176.300 0.123 0.000 1.296 622 D CA -0.261 53.873 54.000 0.223 0.000 0.807 622 D CB 0.438 41.455 40.800 0.363 0.000 1.084 622 D HN 0.228 nan 8.370 nan 0.000 0.510 623 Y N 0.617 120.413 120.300 -0.839 0.000 2.266 623 Y HA 0.113 4.665 4.550 0.004 0.000 0.294 623 Y C 1.572 177.289 175.900 -0.306 0.000 1.127 623 Y CA 0.784 58.229 58.100 -1.091 0.000 1.140 623 Y CB -0.166 37.234 38.460 -1.766 0.000 1.071 623 Y HN -0.134 nan 8.280 nan 0.000 0.525 624 L N -1.163 119.799 121.223 -0.433 0.000 2.071 624 L HA -0.126 4.216 4.340 0.004 0.000 0.201 624 L C 2.310 179.052 176.870 -0.213 0.000 1.076 624 L CA 1.796 56.393 54.840 -0.406 0.000 0.755 624 L CB -1.720 40.162 42.059 -0.294 0.000 0.915 624 L HN 0.522 nan 8.230 nan 0.000 0.445 625 W N 0.982 122.142 121.300 -0.232 0.000 2.335 625 W HA -0.169 4.493 4.660 0.004 0.000 0.311 625 W C 1.274 177.716 176.519 -0.129 0.000 1.213 625 W CA 0.846 58.092 57.345 -0.165 0.000 1.274 625 W CB -0.223 29.166 29.460 -0.117 0.000 1.148 625 W HN -0.049 nan 8.180 nan 0.000 0.498 626 L N 1.257 122.337 121.223 -0.238 0.000 2.468 626 L HA 0.148 4.490 4.340 0.004 0.000 0.254 626 L C 1.218 177.907 176.870 -0.302 0.000 1.171 626 L CA 0.259 54.798 54.840 -0.501 0.000 0.809 626 L CB 0.635 42.637 42.059 -0.096 0.000 1.155 626 L HN 0.251 nan 8.230 nan 0.000 0.473 627 N N -0.285 118.252 118.700 -0.271 0.000 1.631 627 N HA -0.257 4.485 4.740 0.004 0.000 0.211 627 N C 1.182 176.582 175.510 -0.183 0.000 1.018 627 N CA 1.460 54.421 53.050 -0.147 0.000 4.261 627 N CB -1.216 37.243 38.487 -0.046 0.000 0.669 627 N HN 0.703 nan 8.380 nan 0.000 0.246 628 S N 0.376 115.937 115.700 -0.231 0.000 2.350 628 S HA -0.234 4.238 4.470 0.004 0.000 0.496 628 S C 1.242 175.708 174.600 -0.223 0.000 1.000 628 S CA 2.105 60.154 58.200 -0.252 0.000 2.956 628 S CB -0.743 62.233 63.200 -0.373 0.000 2.036 628 S HN 0.563 nan 8.310 nan 0.000 0.438 629 S N 1.277 116.825 115.700 -0.254 0.000 2.831 629 S HA -0.138 4.334 4.470 0.004 0.000 0.264 629 S C 1.427 175.955 174.600 -0.119 0.000 1.008 629 S CA 0.445 58.539 58.200 -0.177 0.000 1.027 629 S CB -0.540 62.560 63.200 -0.167 0.000 0.793 629 S HN 0.422 nan 8.310 nan 0.000 0.550 630 Q N 1.514 121.247 119.800 -0.111 0.000 2.008 630 Q HA -0.055 4.287 4.340 0.004 0.000 0.196 630 Q C 2.218 178.188 176.000 -0.050 0.000 0.973 630 Q CA 1.464 57.228 55.803 -0.066 0.000 0.826 630 Q CB -0.664 28.041 28.738 -0.054 0.000 0.894 630 Q HN 0.613 nan 8.270 nan 0.000 0.439 631 L N -0.047 121.130 121.223 -0.076 0.000 1.956 631 L HA -0.135 4.207 4.340 0.004 0.000 0.216 631 L C 2.030 178.897 176.870 -0.004 0.000 1.073 631 L CA 2.040 56.857 54.840 -0.038 0.000 0.762 631 L CB -1.903 40.079 42.059 -0.129 0.000 0.889 631 L HN 0.278 nan 8.230 nan 0.000 0.433 632 I N 0.696 121.221 120.570 -0.074 0.000 3.680 632 I HA 0.051 4.223 4.170 0.004 0.000 0.306 632 I C 0.374 176.473 176.117 -0.030 0.000 1.260 632 I CA 0.382 61.656 61.300 -0.042 0.000 1.201 632 I CB -0.799 37.146 38.000 -0.092 0.000 1.009 632 I HN 0.386 nan 8.210 nan 0.000 0.467 633 N N 0.455 119.136 118.700 -0.032 0.000 2.599 633 N HA 0.377 5.119 4.740 0.004 0.000 0.309 633 N C 0.338 175.846 175.510 -0.003 0.000 1.743 633 N CA 0.040 53.078 53.050 -0.019 0.000 0.918 633 N CB 1.098 39.564 38.487 -0.035 0.000 1.339 633 N HN 0.117 nan 8.380 nan 0.000 0.493 634 G N -0.123 108.689 108.800 0.020 0.000 4.959 634 G HA2 0.462 4.424 3.960 0.004 0.000 0.297 634 G HA3 0.462 4.424 3.960 0.004 0.000 0.297 634 G C 0.469 175.390 174.900 0.036 0.000 1.351 634 G CA -0.151 44.966 45.100 0.028 0.000 1.016 634 G HN 0.345 nan 8.290 nan 0.000 0.592 635 I N -1.526 119.057 120.570 0.022 0.000 3.208 635 I HA 0.216 4.388 4.170 0.004 0.000 0.267 635 I C 0.606 176.725 176.117 0.004 0.000 1.013 635 I CA 0.467 61.779 61.300 0.020 0.000 1.580 635 I CB 0.117 38.146 38.000 0.049 0.000 2.019 635 I HN 0.068 nan 8.210 nan 0.000 0.342 636 T N 5.377 119.934 114.554 0.005 0.000 1.744 636 T HA -0.104 4.248 4.350 0.004 0.000 0.678 636 T C -1.983 172.713 174.700 -0.006 0.000 0.974 636 T CA 0.250 62.349 62.100 -0.002 0.000 3.704 636 T CB -0.683 68.182 68.868 -0.005 0.000 1.704 636 T HN 0.323 nan 8.240 nan 0.000 0.313 637 P HA -0.134 nan 4.420 nan 0.000 0.065 637 P C 0.729 178.022 177.300 -0.011 0.000 0.971 637 P CA 1.035 64.129 63.100 -0.010 0.000 0.997 637 P CB -0.413 31.282 31.700 -0.008 0.000 1.829 638 L N -3.794 117.422 121.223 -0.011 0.000 2.775 638 L HA 0.208 4.550 4.340 0.004 0.000 0.175 638 L C 1.217 178.079 176.870 -0.013 0.000 1.110 638 L CA 0.207 55.040 54.840 -0.011 0.000 0.862 638 L CB 0.088 42.143 42.059 -0.008 0.000 1.381 638 L HN -0.227 nan 8.230 nan 0.000 0.499 639 V N -2.679 117.227 119.914 -0.013 0.000 4.247 639 V HA 0.138 4.260 4.120 0.004 0.000 0.311 639 V C -0.390 175.694 176.094 -0.015 0.000 1.570 639 V CA -0.404 61.887 62.300 -0.015 0.000 0.886 639 V CB 1.878 33.695 31.823 -0.010 0.000 1.146 639 V HN 0.307 nan 8.190 nan 0.000 0.470 640 C N -0.474 118.816 119.300 -0.017 0.000 4.049 640 C HA 0.214 4.676 4.460 0.004 0.000 0.493 640 C C 0.702 175.668 174.990 -0.040 0.000 1.535 640 C CA -0.238 58.769 59.018 -0.018 0.000 2.218 640 C CB -1.018 26.713 27.740 -0.014 0.000 3.323 640 C HN 1.033 nan 8.230 nan 0.000 0.654 641 N N 2.234 120.904 118.700 -0.050 0.000 1.939 641 N HA -0.068 4.675 4.740 0.004 0.000 0.301 641 N C 0.514 175.944 175.510 -0.133 0.000 1.353 641 N CA 1.126 54.122 53.050 -0.091 0.000 0.851 641 N CB -0.206 38.253 38.487 -0.048 0.000 1.153 641 N HN 0.407 nan 8.380 nan 0.000 0.496 642 S N 1.304 116.802 115.700 -0.337 0.000 3.119 642 S HA -0.190 4.282 4.470 0.004 0.000 0.298 642 S C 0.275 174.835 174.600 -0.066 0.000 1.294 642 S CA 1.367 59.337 58.200 -0.383 0.000 1.091 642 S CB -0.712 62.374 63.200 -0.190 0.000 1.271 642 S HN 0.725 nan 8.310 nan 0.000 0.693 643 L N 0.037 121.281 121.223 0.034 0.000 3.515 643 L HA 0.270 4.612 4.340 0.004 0.000 0.322 643 L C 1.670 178.731 176.870 0.318 0.000 1.225 643 L CA 0.977 55.971 54.840 0.257 0.000 1.104 643 L CB -0.267 41.869 42.059 0.127 0.000 1.506 643 L HN 0.375 nan 8.230 nan 0.000 0.624 644 S N 0.228 116.016 115.700 0.146 0.000 2.429 644 S HA -0.260 4.212 4.470 0.004 0.000 0.251 644 S C 1.878 176.600 174.600 0.204 0.000 1.104 644 S CA 2.459 60.745 58.200 0.143 0.000 1.130 644 S CB -0.064 63.187 63.200 0.084 0.000 1.000 644 S HN 0.299 nan 8.310 nan 0.000 0.449 645 V N 0.419 120.420 119.914 0.146 0.000 2.214 645 V HA -0.218 3.904 4.120 0.004 0.000 0.244 645 V C 2.094 178.127 176.094 -0.101 0.000 1.045 645 V CA 2.376 64.607 62.300 -0.115 0.000 0.993 645 V CB -1.167 30.349 31.823 -0.511 0.000 0.633 645 V HN 0.833 nan 8.190 nan 0.000 0.449 646 W N 0.567 122.021 121.300 0.256 0.000 2.350 646 W HA -0.044 4.619 4.660 0.004 0.000 0.289 646 W C 2.511 179.196 176.519 0.277 0.000 1.215 646 W CA 1.050 58.552 57.345 0.261 0.000 1.236 646 W CB -1.661 27.930 29.460 0.219 0.000 1.130 646 W HN 0.252 nan 8.180 nan 0.000 0.541 647 A N -0.149 122.960 122.820 0.482 0.000 2.054 647 A HA -0.237 4.085 4.320 0.004 0.000 0.223 647 A C 1.771 179.567 177.584 0.353 0.000 1.169 647 A CA 2.062 54.291 52.037 0.321 0.000 0.655 647 A CB -1.061 18.081 19.000 0.237 0.000 0.812 647 A HN 0.535 nan 8.150 nan 0.000 0.462 648 W N -1.110 120.265 121.300 0.124 0.000 2.846 648 W HA 0.212 4.874 4.660 0.004 0.000 0.273 648 W C 2.205 178.783 176.519 0.099 0.000 1.081 648 W CA 0.853 58.231 57.345 0.055 0.000 1.692 648 W CB -0.593 28.829 29.460 -0.063 0.000 1.106 648 W HN 0.203 nan 8.180 nan 0.000 0.577 649 M N -0.003 119.536 119.600 -0.103 0.000 2.108 649 M HA -0.244 4.238 4.480 0.004 0.000 0.257 649 M C 2.214 178.562 176.300 0.080 0.000 1.071 649 M CA 2.175 57.319 55.300 -0.261 0.000 1.093 649 M CB -0.911 31.648 32.600 -0.070 0.000 1.345 649 M HN 0.072 nan 8.290 nan 0.000 0.403 650 F N 1.200 121.246 119.950 0.159 0.000 2.051 650 F HA -0.227 4.302 4.527 0.004 0.000 0.296 650 F C 1.921 177.851 175.800 0.217 0.000 1.122 650 F CA 1.747 59.890 58.000 0.239 0.000 1.201 650 F CB -0.456 38.714 39.000 0.283 0.000 0.978 650 F HN -0.009 nan 8.300 nan 0.000 0.472 651 L N -1.075 120.300 121.223 0.254 0.000 2.187 651 L HA -0.224 4.118 4.340 0.004 0.000 0.213 651 L C 2.311 179.231 176.870 0.083 0.000 1.100 651 L CA 0.902 55.831 54.840 0.149 0.000 0.765 651 L CB -1.192 40.982 42.059 0.192 0.000 0.904 651 L HN 0.189 nan 8.230 nan 0.000 0.437 652 F N 1.856 121.650 119.950 -0.259 0.000 1.997 652 F HA -0.121 4.408 4.527 0.004 0.000 0.296 652 F C 2.462 178.111 175.800 -0.251 0.000 1.160 652 F CA 1.544 59.302 58.000 -0.403 0.000 1.176 652 F CB -1.118 37.411 39.000 -0.784 0.000 0.964 652 F HN 0.004 nan 8.300 nan 0.000 0.484 653 G N -1.579 107.086 108.800 -0.225 0.000 2.545 653 G HA2 -0.369 3.593 3.960 0.004 0.000 0.222 653 G HA3 -0.369 3.593 3.960 0.004 0.000 0.222 653 G C 1.372 176.103 174.900 -0.283 0.000 1.126 653 G CA 1.570 46.527 45.100 -0.238 0.000 0.754 653 G HN 0.612 nan 8.290 nan 0.000 0.583 654 H N -1.518 117.367 119.070 -0.309 0.000 2.548 654 H HA 0.246 4.804 4.556 0.004 0.000 0.268 654 H C 1.967 177.212 175.328 -0.137 0.000 0.975 654 H CA 0.235 56.113 56.048 -0.283 0.000 1.195 654 H CB 0.323 29.879 29.762 -0.343 0.000 1.397 654 H HN 0.334 nan 8.280 nan 0.000 0.572 655 L N -0.718 120.492 121.223 -0.022 0.000 2.370 655 L HA 0.000 4.342 4.340 0.004 0.000 0.191 655 L C 1.982 178.794 176.870 -0.098 0.000 1.203 655 L CA 0.885 55.710 54.840 -0.024 0.000 0.825 655 L CB -0.804 41.273 42.059 0.030 0.000 1.048 655 L HN 0.012 nan 8.230 nan 0.000 0.487 656 V N -0.540 119.189 119.914 -0.308 0.000 2.467 656 V HA -0.360 3.762 4.120 0.004 0.000 0.266 656 V C 1.892 177.837 176.094 -0.249 0.000 1.124 656 V CA 2.177 64.206 62.300 -0.452 0.000 1.121 656 V CB -1.623 29.546 31.823 -1.090 0.000 0.695 656 V HN 0.621 nan 8.190 nan 0.000 0.466 657 W N -0.358 120.753 121.300 -0.315 0.000 1.174 657 W HA 0.246 4.908 4.660 0.003 0.000 0.282 657 W C 2.313 178.761 176.519 -0.119 0.000 0.682 657 W CA 2.392 59.577 57.345 -0.265 0.000 0.915 657 W CB -0.798 28.447 29.460 -0.358 0.000 1.114 657 W HN 0.198 nan 8.180 nan 0.000 0.562 658 A N -0.753 122.330 122.820 0.438 0.000 1.336 658 A HA -0.544 3.778 4.320 0.004 0.000 0.391 658 A C 1.656 179.363 177.584 0.204 0.000 5.421 658 A CA 4.249 56.384 52.037 0.164 0.000 1.090 658 A CB -2.682 16.334 19.000 0.026 0.000 1.423 658 A HN 0.868 nan 8.150 nan 0.000 0.710 659 T N -1.247 113.386 114.554 0.132 0.000 3.107 659 T HA 0.372 4.724 4.350 0.004 0.000 0.249 659 T C 1.259 175.933 174.700 -0.044 0.000 1.096 659 T CA 1.340 63.508 62.100 0.113 0.000 1.012 659 T CB -0.494 68.418 68.868 0.075 0.000 0.977 659 T HN 1.521 nan 8.240 nan 0.000 0.527 660 G N -0.055 108.722 108.800 -0.038 0.000 3.337 660 G HA2 0.285 4.247 3.960 0.004 0.000 0.226 660 G HA3 0.285 4.247 3.960 0.004 0.000 0.226 660 G C 0.227 175.144 174.900 0.029 0.000 1.295 660 G CA -0.141 44.878 45.100 -0.135 0.000 1.427 660 G HN 0.511 nan 8.290 nan 0.000 0.535 661 F N -1.377 118.565 119.950 -0.013 0.000 2.421 661 F HA 0.315 4.844 4.527 0.004 0.000 0.270 661 F C 2.360 178.265 175.800 0.175 0.000 0.894 661 F CA -0.045 58.018 58.000 0.106 0.000 1.128 661 F CB -0.158 38.909 39.000 0.112 0.000 1.011 661 F HN 0.137 nan 8.300 nan 0.000 0.788 662 M N 0.414 120.272 119.600 0.431 0.000 2.399 662 M HA -0.207 4.275 4.480 0.004 0.000 0.263 662 M C 0.002 176.504 176.300 0.337 0.000 1.067 662 M CA 1.882 57.417 55.300 0.391 0.000 1.084 662 M CB -0.623 32.215 32.600 0.396 0.000 1.252 662 M HN -0.044 nan 8.290 nan 0.000 0.454 663 F N 1.510 121.375 119.950 -0.142 0.000 2.571 663 F HA 0.152 4.681 4.527 0.003 0.000 0.390 663 F C 0.886 176.606 175.800 -0.133 0.000 1.043 663 F CA -0.501 57.370 58.000 -0.215 0.000 1.164 663 F CB -0.027 38.794 39.000 -0.299 0.000 1.049 663 F HN 0.469 nan 8.300 nan 0.000 0.552 664 L N 1.502 122.756 121.223 0.053 0.000 4.970 664 L HA -0.286 4.056 4.340 0.004 0.000 0.094 664 L C 1.330 178.280 176.870 0.133 0.000 3.813 664 L CA 0.146 54.992 54.840 0.011 0.000 1.011 664 L CB -1.176 40.830 42.059 -0.089 0.000 3.355 664 L HN 0.443 nan 8.230 nan 0.000 1.156 665 I N 1.077 121.763 120.570 0.194 0.000 2.353 665 I HA -0.084 4.088 4.170 0.004 0.000 0.248 665 I C 1.346 177.697 176.117 0.390 0.000 1.119 665 I CA 1.464 62.940 61.300 0.292 0.000 1.417 665 I CB 0.026 38.179 38.000 0.254 0.000 1.078 665 I HN 0.397 nan 8.210 nan 0.000 0.421 666 S N 0.760 116.659 115.700 0.333 0.000 2.955 666 S HA 0.109 4.581 4.470 0.004 0.000 0.294 666 S C -0.119 174.758 174.600 0.461 0.000 1.198 666 S CA -0.855 57.567 58.200 0.370 0.000 1.008 666 S CB -0.432 63.003 63.200 0.392 0.000 1.279 666 S HN 0.167 nan 8.310 nan 0.000 0.508 667 W N 2.764 124.160 121.300 0.160 0.000 1.514 667 W HA 0.322 4.984 4.660 0.003 0.000 0.363 667 W C 2.291 178.968 176.519 0.265 0.000 1.770 667 W CA -0.678 56.752 57.345 0.140 0.000 1.998 667 W CB -0.038 29.471 29.460 0.083 0.000 1.565 667 W HN 0.473 nan 8.180 nan 0.000 0.865 668 R N -0.423 120.359 120.500 0.470 0.000 2.062 668 R HA 0.068 4.411 4.340 0.004 0.000 0.218 668 R C 1.733 178.249 176.300 0.359 0.000 1.161 668 R CA 1.212 57.515 56.100 0.339 0.000 0.994 668 R CB -1.020 29.381 30.300 0.168 0.000 0.888 668 R HN 0.547 nan 8.270 nan 0.000 0.442 669 G N -0.031 108.924 108.800 0.258 0.000 3.340 669 G HA2 -0.160 3.802 3.960 0.004 0.000 0.240 669 G HA3 -0.160 3.802 3.960 0.004 0.000 0.240 669 G C 0.580 175.550 174.900 0.116 0.000 1.327 669 G CA -0.151 45.044 45.100 0.159 0.000 1.170 669 G HN 0.469 nan 8.290 nan 0.000 0.520 670 Y N -1.823 118.468 120.300 -0.016 0.000 2.442 670 Y HA 0.257 4.809 4.550 0.004 0.000 0.250 670 Y C 1.708 177.293 175.900 -0.525 0.000 1.113 670 Y CA -0.349 57.580 58.100 -0.286 0.000 1.273 670 Y CB 0.379 38.614 38.460 -0.375 0.000 1.138 670 Y HN 0.224 nan 8.280 nan 0.000 0.522 671 W N 0.464 121.819 121.300 0.093 0.000 2.560 671 W HA 0.054 4.716 4.660 0.003 0.000 0.303 671 W C 2.387 178.867 176.519 -0.065 0.000 1.151 671 W CA 0.989 58.343 57.345 0.015 0.000 1.426 671 W CB -0.901 28.578 29.460 0.032 0.000 1.135 671 W HN -0.033 nan 8.180 nan 0.000 0.522 672 Q N 1.201 121.090 119.800 0.148 0.000 1.978 672 Q HA -0.298 4.045 4.340 0.004 0.000 0.211 672 Q C 1.994 177.983 176.000 -0.019 0.000 1.013 672 Q CA 2.563 58.404 55.803 0.062 0.000 0.869 672 Q CB -0.786 27.988 28.738 0.060 0.000 0.953 672 Q HN 0.330 nan 8.270 nan 0.000 0.415 673 E N -0.511 119.644 120.200 -0.075 0.000 2.113 673 E HA -0.274 4.079 4.350 0.004 0.000 0.210 673 E C 1.946 178.435 176.600 -0.185 0.000 1.040 673 E CA 1.845 58.167 56.400 -0.130 0.000 0.847 673 E CB -0.470 29.120 29.700 -0.182 0.000 0.755 673 E HN 0.462 nan 8.360 nan 0.000 0.459 674 L N 0.723 121.755 121.223 -0.319 0.000 2.005 674 L HA -0.096 4.247 4.340 0.004 0.000 0.207 674 L C 2.522 179.317 176.870 -0.124 0.000 1.072 674 L CA 1.586 56.233 54.840 -0.322 0.000 0.744 674 L CB -0.338 41.368 42.059 -0.589 0.000 0.895 674 L HN 0.389 nan 8.230 nan 0.000 0.433 675 I N -2.703 117.840 120.570 -0.045 0.000 3.241 675 I HA -0.170 4.002 4.170 0.004 0.000 0.280 675 I C 1.791 177.940 176.117 0.054 0.000 1.320 675 I CA 0.938 62.267 61.300 0.049 0.000 1.413 675 I CB -0.217 37.849 38.000 0.109 0.000 1.060 675 I HN 0.396 nan 8.210 nan 0.000 0.500 676 E N 1.550 121.771 120.200 0.035 0.000 2.030 676 E HA -0.128 4.224 4.350 0.004 0.000 0.189 676 E C 1.905 178.567 176.600 0.104 0.000 0.974 676 E CA 1.602 58.056 56.400 0.090 0.000 0.807 676 E CB 0.007 29.750 29.700 0.070 0.000 0.771 676 E HN 0.664 nan 8.360 nan 0.000 0.451 677 T N 0.256 114.795 114.554 -0.024 0.000 3.309 677 T HA -0.079 4.273 4.350 0.004 0.000 0.265 677 T C 1.286 175.937 174.700 -0.083 0.000 1.194 677 T CA 0.787 62.798 62.100 -0.149 0.000 1.037 677 T CB -0.226 68.525 68.868 -0.195 0.000 0.917 677 T HN 0.183 nan 8.240 nan 0.000 0.558 678 L N -3.794 117.496 121.223 0.113 0.000 3.927 678 L HA 0.576 4.918 4.340 0.004 0.000 0.388 678 L C 0.709 177.807 176.870 0.380 0.000 1.022 678 L CA 0.228 55.220 54.840 0.253 0.000 1.497 678 L CB -0.780 41.389 42.059 0.184 0.000 2.031 678 L HN 0.164 nan 8.230 nan 0.000 0.625 679 A N 0.107 123.063 122.820 0.227 0.000 2.897 679 A HA 0.357 4.679 4.320 0.004 0.000 0.287 679 A C 0.495 178.290 177.584 0.353 0.000 1.748 679 A CA 0.868 52.962 52.037 0.095 0.000 1.397 679 A CB -1.384 17.621 19.000 0.008 0.000 1.049 679 A HN 0.827 nan 8.150 nan 0.000 0.592 680 W N -0.117 121.237 121.300 0.090 0.000 3.862 680 W HA -0.174 4.489 4.660 0.004 0.000 0.145 680 W C 1.697 178.283 176.519 0.111 0.000 2.827 680 W CA 0.611 58.014 57.345 0.096 0.000 1.179 680 W CB -0.963 28.541 29.460 0.073 0.000 1.470 680 W HN 0.545 nan 8.180 nan 0.000 0.656 681 A N 0.981 124.300 122.820 0.831 0.000 1.873 681 A HA -0.238 4.084 4.320 0.004 0.000 0.218 681 A C 1.093 178.974 177.584 0.496 0.000 1.193 681 A CA 2.355 54.764 52.037 0.618 0.000 0.629 681 A CB -1.896 17.311 19.000 0.345 0.000 0.826 681 A HN 0.819 nan 8.150 nan 0.000 0.447 682 H N -1.961 117.277 119.070 0.279 0.000 2.787 682 H HA 0.436 4.994 4.556 0.004 0.000 0.302 682 H C -0.647 174.811 175.328 0.217 0.000 1.098 682 H CA 0.167 56.351 56.048 0.226 0.000 1.192 682 H CB -0.056 29.825 29.762 0.197 0.000 1.316 682 H HN 0.205 nan 8.280 nan 0.000 0.590 683 E N 1.200 121.502 120.200 0.171 0.000 2.908 683 E HA 0.223 4.576 4.350 0.004 0.000 0.291 683 E C -0.311 176.213 176.600 -0.127 0.000 1.154 683 E CA -0.273 56.103 56.400 -0.040 0.000 0.784 683 E CB 0.971 30.586 29.700 -0.142 0.000 1.500 683 E HN 0.397 nan 8.360 nan 0.000 0.382 684 R N -1.159 119.314 120.500 -0.044 0.000 2.625 684 R HA -0.073 4.269 4.340 0.004 0.000 0.028 684 R C 0.089 176.415 176.300 0.043 0.000 0.822 684 R CA 1.119 57.207 56.100 -0.019 0.000 3.327 684 R CB -0.996 29.352 30.300 0.079 0.000 0.795 684 R HN 0.332 nan 8.270 nan 0.000 0.561 685 T N 5.383 119.997 114.554 0.101 0.000 2.666 685 T HA 0.113 4.465 4.350 0.004 0.000 0.265 685 T C -1.845 172.894 174.700 0.065 0.000 1.009 685 T CA -0.888 61.268 62.100 0.094 0.000 1.238 685 T CB 0.231 69.171 68.868 0.121 0.000 0.969 685 T HN 0.051 nan 8.240 nan 0.000 0.515 686 P HA -0.013 nan 4.420 nan 0.000 0.286 686 P C 1.674 178.996 177.300 0.035 0.000 1.278 686 P CA -0.449 62.669 63.100 0.030 0.000 0.785 686 P CB 0.288 32.001 31.700 0.023 0.000 1.269 687 L N -3.388 117.851 121.223 0.026 0.000 3.445 687 L HA -0.328 4.014 4.340 0.004 0.000 0.349 687 L C 1.319 178.210 176.870 0.034 0.000 4.406 687 L CA 2.811 57.668 54.840 0.027 0.000 0.588 687 L CB -2.813 39.264 42.059 0.029 0.000 3.515 687 L HN 0.548 nan 8.230 nan 0.000 0.667 688 A N -0.427 122.423 122.820 0.049 0.000 3.258 688 A HA 0.354 4.676 4.320 0.004 0.000 0.275 688 A C 1.198 178.821 177.584 0.065 0.000 1.452 688 A CA 0.555 52.630 52.037 0.065 0.000 1.120 688 A CB -0.381 18.671 19.000 0.087 0.000 1.107 688 A HN 0.563 nan 8.150 nan 0.000 0.651 689 N N -0.111 118.609 118.700 0.034 0.000 2.428 689 N HA 0.049 4.791 4.740 0.004 0.000 0.181 689 N C 0.508 176.006 175.510 -0.020 0.000 1.028 689 N CA 0.571 53.624 53.050 0.006 0.000 0.877 689 N CB -0.129 38.353 38.487 -0.009 0.000 1.064 689 N HN 0.419 nan 8.380 nan 0.000 0.434 690 L N 1.748 122.963 121.223 -0.013 0.000 2.679 690 L HA 0.230 4.572 4.340 0.004 0.000 0.241 690 L C -0.910 175.952 176.870 -0.014 0.000 1.441 690 L CA 0.258 55.083 54.840 -0.025 0.000 1.181 690 L CB -1.252 40.797 42.059 -0.016 0.000 1.451 690 L HN 0.138 nan 8.230 nan 0.000 0.446 691 I N -1.804 118.751 120.570 -0.025 0.000 2.678 691 I HA 0.309 4.481 4.170 0.004 0.000 0.269 691 I C 0.585 176.678 176.117 -0.040 0.000 1.323 691 I CA -0.752 60.554 61.300 0.011 0.000 0.982 691 I CB 0.935 38.984 38.000 0.083 0.000 1.321 691 I HN 0.211 nan 8.210 nan 0.000 0.519 692 R N 3.053 123.473 120.500 -0.134 0.000 2.300 692 R HA 0.340 4.682 4.340 0.004 0.000 0.199 692 R C -0.549 175.441 176.300 -0.517 0.000 0.920 692 R CA 0.217 56.068 56.100 -0.415 0.000 1.046 692 R CB -0.375 29.695 30.300 -0.383 0.000 0.984 692 R HN 0.750 nan 8.270 nan 0.000 0.493 693 W N -0.850 120.437 121.300 -0.022 0.000 3.078 693 W HA -0.196 4.466 4.660 0.004 0.000 0.457 693 W C -0.095 176.408 176.519 -0.027 0.000 1.863 693 W CA -0.745 56.588 57.345 -0.019 0.000 0.459 693 W CB -0.882 28.566 29.460 -0.020 0.000 2.859 693 W HN -0.005 nan 8.180 nan 0.000 0.416 694 R N 1.911 122.580 120.500 0.282 0.000 2.066 694 R HA -0.129 4.213 4.340 0.004 0.000 0.232 694 R C 1.064 177.459 176.300 0.160 0.000 1.131 694 R CA 2.356 58.545 56.100 0.147 0.000 0.955 694 R CB -0.305 30.038 30.300 0.073 0.000 0.851 694 R HN 0.800 nan 8.270 nan 0.000 0.432 695 D N -0.590 119.912 120.400 0.171 0.000 2.666 695 D HA 0.148 4.790 4.640 0.004 0.000 0.252 695 D C -0.842 175.578 176.300 0.200 0.000 1.143 695 D CA -0.600 53.496 54.000 0.161 0.000 1.096 695 D CB 0.831 41.648 40.800 0.029 0.000 1.260 695 D HN -0.023 nan 8.370 nan 0.000 0.633 696 K N -0.845 119.610 120.400 0.092 0.000 2.559 696 K HA 0.452 4.774 4.320 0.004 0.000 0.249 696 K C -2.799 173.749 176.600 -0.086 0.000 0.958 696 K CA -1.790 54.558 56.287 0.101 0.000 0.901 696 K CB 1.622 34.304 32.500 0.303 0.000 1.124 696 K HN -0.042 nan 8.250 nan 0.000 0.437 697 P HA -0.178 nan 4.420 nan 0.000 0.249 697 P C -0.209 177.058 177.300 -0.056 0.000 1.140 697 P CA 0.006 62.978 63.100 -0.213 0.000 0.803 697 P CB 0.247 31.715 31.700 -0.386 0.000 0.745 698 V N 1.241 121.174 119.914 0.033 0.000 3.046 698 V HA 0.895 5.017 4.120 0.004 0.000 0.316 698 V C 0.171 176.329 176.094 0.106 0.000 1.104 698 V CA -1.034 61.307 62.300 0.069 0.000 1.006 698 V CB 1.804 33.663 31.823 0.061 0.000 1.058 698 V HN 0.503 nan 8.190 nan 0.000 0.440 699 A N 2.398 125.270 122.820 0.087 0.000 2.267 699 A HA 0.721 5.043 4.320 0.004 0.000 0.276 699 A C -0.128 177.448 177.584 -0.013 0.000 1.336 699 A CA -0.396 51.677 52.037 0.060 0.000 0.815 699 A CB -0.133 18.959 19.000 0.152 0.000 1.256 699 A HN 1.040 nan 8.150 nan 0.000 0.512 700 L N 0.659 121.815 121.223 -0.112 0.000 2.319 700 L HA 0.289 4.631 4.340 0.004 0.000 0.281 700 L C 0.436 177.219 176.870 -0.145 0.000 1.005 700 L CA -0.413 54.294 54.840 -0.222 0.000 0.828 700 L CB 1.607 43.406 42.059 -0.433 0.000 1.227 700 L HN 0.823 nan 8.230 nan 0.000 0.415 701 S N 1.600 117.252 115.700 -0.080 0.000 3.305 701 S HA -0.180 4.292 4.470 0.004 0.000 0.397 701 S C 1.368 175.908 174.600 -0.100 0.000 1.171 701 S CA 0.227 58.407 58.200 -0.034 0.000 0.935 701 S CB -0.237 63.048 63.200 0.141 0.000 0.642 701 S HN 0.605 nan 8.310 nan 0.000 0.479 702 I N 2.157 122.664 120.570 -0.106 0.000 2.151 702 I HA -0.078 4.094 4.170 0.004 0.000 0.243 702 I C 0.904 176.861 176.117 -0.267 0.000 1.080 702 I CA 0.785 61.964 61.300 -0.201 0.000 1.339 702 I CB -1.052 36.825 38.000 -0.205 0.000 1.039 702 I HN 0.528 nan 8.210 nan 0.000 0.409 703 V N 3.456 123.221 119.914 -0.247 0.000 2.540 703 V HA 0.072 4.195 4.120 0.004 0.000 0.297 703 V C 0.758 176.696 176.094 -0.260 0.000 1.024 703 V CA 0.765 62.869 62.300 -0.326 0.000 1.105 703 V CB 0.105 31.566 31.823 -0.604 0.000 0.938 703 V HN 0.795 nan 8.190 nan 0.000 0.482 704 Q N 3.032 122.708 119.800 -0.208 0.000 7.842 704 Q HA -0.168 4.175 4.340 0.004 0.000 0.365 704 Q C 1.334 177.240 176.000 -0.156 0.000 1.056 704 Q CA 0.678 56.368 55.803 -0.188 0.000 0.533 704 Q CB -1.298 27.298 28.738 -0.237 0.000 0.161 704 Q HN 0.901 nan 8.270 nan 0.000 0.888 705 A N 2.257 124.948 122.820 -0.216 0.000 1.973 705 A HA -0.166 4.156 4.320 0.004 0.000 0.199 705 A C 1.243 178.680 177.584 -0.245 0.000 1.443 705 A CA 1.984 53.883 52.037 -0.230 0.000 1.338 705 A CB -0.885 17.942 19.000 -0.289 0.000 0.708 705 A HN 0.405 nan 8.150 nan 0.000 0.582 706 R N -3.300 117.108 120.500 -0.154 0.000 2.707 706 R HA 0.149 4.491 4.340 0.004 0.000 0.101 706 R C 1.362 177.694 176.300 0.053 0.000 0.851 706 R CA -0.059 55.969 56.100 -0.120 0.000 2.367 706 R CB -0.560 29.481 30.300 -0.433 0.000 1.548 706 R HN 0.233 nan 8.270 nan 0.000 0.505 707 L N 2.902 124.183 121.223 0.098 0.000 1.921 707 L HA -0.102 4.241 4.340 0.004 0.000 0.219 707 L C 2.351 179.211 176.870 -0.018 0.000 1.081 707 L CA 2.755 57.660 54.840 0.110 0.000 0.771 707 L CB -0.650 41.445 42.059 0.061 0.000 0.888 707 L HN 0.242 nan 8.230 nan 0.000 0.433 708 V N -1.814 118.059 119.914 -0.068 0.000 3.140 708 V HA -0.089 4.033 4.120 0.004 0.000 0.269 708 V C 2.418 178.326 176.094 -0.310 0.000 1.149 708 V CA 1.273 63.479 62.300 -0.156 0.000 1.162 708 V CB -2.053 29.655 31.823 -0.190 0.000 0.756 708 V HN 0.562 nan 8.190 nan 0.000 0.523 709 G N 0.518 109.202 108.800 -0.192 0.000 2.440 709 G HA2 -0.138 3.825 3.960 0.004 0.000 0.218 709 G HA3 -0.138 3.825 3.960 0.004 0.000 0.218 709 G C 0.720 175.501 174.900 -0.198 0.000 1.154 709 G CA 0.587 45.572 45.100 -0.191 0.000 0.767 709 G HN 0.491 nan 8.290 nan 0.000 0.552 710 L N 0.712 121.820 121.223 -0.193 0.000 2.449 710 L HA 0.573 4.915 4.340 0.004 0.000 0.255 710 L C 0.246 177.072 176.870 -0.074 0.000 1.167 710 L CA -0.214 54.505 54.840 -0.201 0.000 1.090 710 L CB 1.080 42.959 42.059 -0.300 0.000 1.385 710 L HN 0.032 nan 8.230 nan 0.000 0.411 711 V N 1.669 121.568 119.914 -0.025 0.000 5.955 711 V HA -0.030 4.092 4.120 0.004 0.000 0.877 711 V C 0.181 176.319 176.094 0.073 0.000 2.447 711 V CA 0.121 62.419 62.300 -0.004 0.000 4.567 711 V CB -1.330 30.488 31.823 -0.008 0.000 0.121 711 V HN 0.816 nan 8.190 nan 0.000 0.641 712 H N -1.198 117.770 119.070 -0.170 0.000 2.067 712 H HA 0.243 4.801 4.556 0.004 0.000 0.220 712 H C 1.336 176.519 175.328 -0.241 0.000 0.883 712 H CA 0.698 56.610 56.048 -0.227 0.000 1.042 712 H CB 0.383 29.945 29.762 -0.334 0.000 1.305 712 H HN 0.426 nan 8.280 nan 0.000 0.430 713 F N 2.182 121.928 119.950 -0.341 0.000 2.382 713 F HA -0.391 4.138 4.527 0.004 0.000 0.311 713 F C 2.366 177.932 175.800 -0.389 0.000 1.589 713 F CA 1.896 59.498 58.000 -0.663 0.000 1.241 713 F CB -0.328 38.337 39.000 -0.558 0.000 0.879 713 F HN 0.058 nan 8.300 nan 0.000 0.625 714 S N -0.362 115.463 115.700 0.208 0.000 2.615 714 S HA -0.392 4.080 4.470 0.004 0.000 0.330 714 S C 1.827 176.460 174.600 0.056 0.000 1.300 714 S CA 2.083 60.378 58.200 0.159 0.000 1.166 714 S CB -1.491 61.760 63.200 0.085 0.000 1.246 714 S HN 0.454 nan 8.310 nan 0.000 0.442 715 V N 1.757 121.653 119.914 -0.030 0.000 2.250 715 V HA -0.285 3.837 4.120 0.004 0.000 0.250 715 V C 2.673 178.833 176.094 0.110 0.000 1.060 715 V CA 2.362 64.649 62.300 -0.023 0.000 1.030 715 V CB -1.654 30.141 31.823 -0.047 0.000 0.643 715 V HN 0.681 nan 8.190 nan 0.000 0.445 716 G N -2.114 106.689 108.800 0.006 0.000 2.469 716 G HA2 -0.357 3.605 3.960 0.004 0.000 0.219 716 G HA3 -0.357 3.605 3.960 0.004 0.000 0.219 716 G C 1.562 176.644 174.900 0.303 0.000 1.150 716 G CA 1.382 46.523 45.100 0.069 0.000 0.763 716 G HN 0.593 nan 8.290 nan 0.000 0.561 717 Y N 1.085 121.531 120.300 0.243 0.000 2.365 717 Y HA 0.190 4.742 4.550 0.004 0.000 0.293 717 Y C 2.485 178.402 175.900 0.028 0.000 1.119 717 Y CA 0.389 58.658 58.100 0.282 0.000 1.203 717 Y CB 0.019 38.747 38.460 0.447 0.000 1.026 717 Y HN 0.190 nan 8.280 nan 0.000 0.549 718 I N -1.096 119.568 120.570 0.158 0.000 2.315 718 I HA -0.203 3.969 4.170 0.004 0.000 0.248 718 I C 0.654 176.690 176.117 -0.134 0.000 1.117 718 I CA 0.415 61.644 61.300 -0.119 0.000 1.404 718 I CB -0.541 37.261 38.000 -0.330 0.000 1.071 718 I HN -0.094 nan 8.210 nan 0.000 0.419 719 F N 1.605 121.579 119.950 0.040 0.000 2.435 719 F HA 0.167 4.696 4.527 0.004 0.000 0.316 719 F C 1.814 177.639 175.800 0.043 0.000 1.220 719 F CA 0.640 58.675 58.000 0.057 0.000 1.241 719 F CB 0.273 39.276 39.000 0.006 0.000 1.234 719 F HN 0.342 nan 8.300 nan 0.000 0.569 720 T N -1.038 113.786 114.554 0.450 0.000 13.764 720 T HA -0.464 3.888 4.350 0.004 0.000 0.419 720 T C 1.347 176.424 174.700 0.627 0.000 1.442 720 T CA 1.035 63.379 62.100 0.408 0.000 2.346 720 T CB -1.972 66.680 68.868 -0.361 0.000 2.780 720 T HN 0.605 nan 8.240 nan 0.000 0.453 721 Y N 3.312 123.806 120.300 0.324 0.000 2.062 721 Y HA -0.031 4.521 4.550 0.004 0.000 0.273 721 Y C 3.256 179.313 175.900 0.262 0.000 1.206 721 Y CA 3.833 62.170 58.100 0.394 0.000 1.125 721 Y CB -1.278 37.282 38.460 0.167 0.000 0.951 721 Y HN 0.851 nan 8.280 nan 0.000 0.501 722 A N -0.086 122.959 122.820 0.376 0.000 1.916 722 A HA -0.393 3.929 4.320 0.004 0.000 0.224 722 A C 2.363 180.127 177.584 0.300 0.000 1.366 722 A CA 3.362 55.564 52.037 0.275 0.000 0.692 722 A CB -1.709 17.436 19.000 0.240 0.000 0.841 722 A HN 0.706 nan 8.150 nan 0.000 0.480 723 A N -2.552 120.578 122.820 0.517 0.000 2.095 723 A HA 0.339 4.661 4.320 0.004 0.000 0.212 723 A C 1.920 179.504 177.584 -0.001 0.000 1.162 723 A CA 0.885 53.331 52.037 0.683 0.000 0.753 723 A CB -0.445 19.336 19.000 1.302 0.000 0.840 723 A HN 0.761 nan 8.150 nan 0.000 0.468 724 F N 0.827 120.764 119.950 -0.022 0.000 2.009 724 F HA -0.097 4.432 4.527 0.003 0.000 0.293 724 F C 1.710 177.301 175.800 -0.348 0.000 1.156 724 F CA 1.306 59.145 58.000 -0.268 0.000 1.168 724 F CB -0.247 38.673 39.000 -0.132 0.000 0.981 724 F HN 0.038 nan 8.300 nan 0.000 0.475 725 L N 1.050 121.739 121.223 -0.890 0.000 2.408 725 L HA -0.294 4.048 4.340 0.004 0.000 0.220 725 L C 1.985 178.514 176.870 -0.567 0.000 1.112 725 L CA 1.604 55.918 54.840 -0.877 0.000 0.782 725 L CB -1.126 40.442 42.059 -0.820 0.000 0.898 725 L HN 0.510 nan 8.230 nan 0.000 0.442 726 I N -2.318 117.869 120.570 -0.638 0.000 3.445 726 I HA -0.004 4.168 4.170 0.004 0.000 0.288 726 I C 2.519 178.138 176.117 -0.829 0.000 1.198 726 I CA 0.566 61.387 61.300 -0.800 0.000 1.417 726 I CB -0.269 37.147 38.000 -0.974 0.000 1.205 726 I HN 0.051 nan 8.210 nan 0.000 0.448 727 A N 1.016 123.281 122.820 -0.924 0.000 1.823 727 A HA -0.235 4.087 4.320 0.004 0.000 0.214 727 A C 2.198 179.532 177.584 -0.416 0.000 1.227 727 A CA 2.249 53.792 52.037 -0.824 0.000 0.616 727 A CB -1.140 17.424 19.000 -0.727 0.000 0.874 727 A HN 0.377 nan 8.150 nan 0.000 0.455 728 S N -1.699 113.830 115.700 -0.284 0.000 2.443 728 S HA -0.319 4.153 4.470 0.004 0.000 0.501 728 S C 0.845 175.299 174.600 -0.244 0.000 1.004 728 S CA 2.624 60.693 58.200 -0.219 0.000 3.025 728 S CB -1.885 61.139 63.200 -0.293 0.000 2.164 728 S HN 0.957 nan 8.310 nan 0.000 0.526 729 T N 1.004 115.342 114.554 -0.359 0.000 3.151 729 T HA 0.658 5.011 4.350 0.004 0.000 0.332 729 T C 0.338 174.679 174.700 -0.599 0.000 1.245 729 T CA 0.379 62.157 62.100 -0.537 0.000 1.019 729 T CB 0.694 69.249 68.868 -0.522 0.000 1.109 729 T HN 0.544 nan 8.240 nan 0.000 0.621 730 S N 0.822 116.281 115.700 -0.401 0.000 3.395 730 S HA 0.066 4.539 4.470 0.004 0.000 0.110 730 S C 1.456 176.144 174.600 0.147 0.000 0.765 730 S CA 0.337 58.511 58.200 -0.044 0.000 1.525 730 S CB -0.962 62.237 63.200 -0.002 0.000 0.923 730 S HN 0.697 nan 8.310 nan 0.000 0.657 731 G N 2.022 110.848 108.800 0.043 0.000 2.908 731 G HA2 0.293 4.255 3.960 0.004 0.000 0.188 731 G HA3 0.293 4.255 3.960 0.004 0.000 0.188 731 G C -0.141 174.908 174.900 0.248 0.000 1.903 731 G CA -0.100 45.065 45.100 0.109 0.000 0.883 731 G HN 0.410 nan 8.290 nan 0.000 0.515 732 K N -0.128 120.355 120.400 0.139 0.000 2.319 732 K HA 0.354 4.676 4.320 0.004 0.000 0.265 732 K C -1.033 175.747 176.600 0.300 0.000 1.000 732 K CA 0.133 56.545 56.287 0.209 0.000 0.943 732 K CB 0.690 33.231 32.500 0.069 0.000 0.950 732 K HN 0.164 nan 8.250 nan 0.000 0.485 733 F N 0.000 119.946 119.950 -0.007 0.000 2.286 733 F HA 0.000 4.529 4.527 0.004 0.000 0.279 733 F CA 0.000 58.000 58.000 0.000 0.000 1.383 733 F CB 0.000 38.966 39.000 -0.057 0.000 1.145 733 F HN 0.000 nan 8.300 nan 0.000 0.574