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 3pcq_1_B DATA FIRST_RESID 1 DATA SEQUENCE ATKFPKFSQD LAQDPTTRRI WYAIAMAHDF ESHDGMTEEN LYQKIFASHF DATA SEQUENCE GHLAIIFLWV SGSLFHVAWQ GNFEQWVQDP VNTRPIAHAI WDPQFGKAAV DATA SEQUENCE DAFTQAGASN PVDIAYSGVY HWWYTIGMRT NGDLYQGAIF LLILASLALF DATA SEQUENCE AGWLHLQPKF RPSLSWFKNA ESRLNHHLAG LFGVSSLAWA GHLIHVAIPE DATA SEQUENCE SRGQHVGWDN FLSTMPHPAG LAPFFTGNWG VYAQNPDTAS HVFGTAQGAG DATA SEQUENCE TAILTFLGGF HPQTESLWLT DMAHHHLAIA VLFIVAGHMY RTQFGIGHSI DATA SEQUENCE KEMMDAKDFF GTKVEGPFNM PHQGIYETYN NSLHFQLGWH LACLGVITSL DATA SEQUENCE VAQHMYSLPP YAFIAQDHTT MAALYTHHQY IAGFLMVGAF AHGAIFLVRD DATA SEQUENCE YDPAQNKGNV LDRVLQHKEA IISHLSWVSL FLGFHTLGLY VHNDVVVAFG DATA SEQUENCE TPEKQILIEP VFAQFIQAAH GKLLYGFDTL LSNPDSIAST AWPNYGNVWL DATA SEQUENCE PGWLDAINSG TNSLFLTIGP GDFLVHHAIA LGLHTTTLIL VKGALDARGS DATA SEQUENCE KLMPDKKDFG YAFPCDGPGR GGTCDISAWD AFYLAMFWML NTIGWVTFYW DATA SEQUENCE HWKHLGVWEG NVAQFNESST YLMGWLRDYL WLNSSQLING YNPFGTNNLS DATA SEQUENCE VWAWMFLFGH LVWATGFMFL ISWRGYWQEL IETLVWAHER TPLANLVRWK DATA SEQUENCE DKPVALSIVQ ARLVGLAHFS VGYILTYAAF LIASTAAKF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.577 177.584 -0.012 0.000 1.274 1 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 1 A CB 0.000 18.983 19.000 -0.029 0.000 0.831 2 T N -0.845 113.701 114.554 -0.013 0.000 2.944 2 T HA 0.546 4.896 4.350 0.000 0.000 0.284 2 T C 0.765 175.466 174.700 0.001 0.000 1.010 2 T CA -0.370 61.734 62.100 0.007 0.000 1.025 2 T CB 1.429 70.317 68.868 0.034 0.000 1.079 2 T HN 0.622 nan 8.240 nan 0.000 0.516 3 K N -0.601 119.815 120.400 0.028 0.000 2.217 3 K HA 0.115 4.435 4.320 0.000 0.000 0.202 3 K C 0.150 176.776 176.600 0.043 0.000 1.051 3 K CA 0.591 56.893 56.287 0.025 0.000 0.952 3 K CB -0.056 32.467 32.500 0.039 0.000 0.736 3 K HN 0.558 nan 8.250 nan 0.000 0.453 4 F N 3.294 123.186 119.950 -0.097 0.000 2.408 4 F HA 0.256 4.783 4.527 0.000 0.000 0.344 4 F C -2.427 173.264 175.800 -0.181 0.000 1.112 4 F CA -3.054 54.865 58.000 -0.135 0.000 1.096 4 F CB 1.086 40.033 39.000 -0.088 0.000 1.129 4 F HN -0.161 nan 8.300 nan 0.000 0.486 5 P HA 0.138 nan 4.420 nan 0.000 0.290 5 P C -0.342 176.488 177.300 -0.782 0.000 1.276 5 P CA -0.430 61.872 63.100 -1.329 0.000 0.808 5 P CB 1.833 32.382 31.700 -1.918 0.000 0.966 6 K N 2.709 122.823 120.400 -0.477 0.000 2.147 6 K HA -0.134 4.186 4.320 0.000 0.000 0.205 6 K C 1.355 177.817 176.600 -0.229 0.000 1.049 6 K CA 1.522 57.678 56.287 -0.218 0.000 0.936 6 K CB -0.491 31.997 32.500 -0.020 0.000 0.722 6 K HN 0.502 nan 8.250 nan 0.000 0.446 7 F N -0.533 119.288 119.950 -0.214 0.000 2.797 7 F HA 0.287 4.814 4.527 0.000 0.000 0.302 7 F C 0.158 175.849 175.800 -0.181 0.000 1.130 7 F CA -0.593 57.250 58.000 -0.262 0.000 1.387 7 F CB 0.107 38.691 39.000 -0.694 0.000 1.107 7 F HN -0.141 nan 8.300 nan 0.000 0.577 8 S N 0.520 115.991 115.700 -0.383 0.000 2.680 8 S HA 0.218 4.688 4.470 0.000 0.000 0.262 8 S C 0.477 174.962 174.600 -0.192 0.000 1.138 8 S CA -0.614 57.481 58.200 -0.176 0.000 1.072 8 S CB 0.975 64.108 63.200 -0.112 0.000 1.097 8 S HN 0.153 nan 8.310 nan 0.000 0.468 9 Q N 2.408 122.148 119.800 -0.101 0.000 2.224 9 Q HA -0.056 4.284 4.340 0.000 0.000 0.203 9 Q C 0.880 176.831 176.000 -0.081 0.000 0.970 9 Q CA 1.445 57.195 55.803 -0.089 0.000 0.865 9 Q CB -0.133 28.574 28.738 -0.052 0.000 0.922 9 Q HN 0.751 nan 8.270 nan 0.000 0.445 10 D N 0.198 120.560 120.400 -0.063 0.000 2.117 10 D HA -0.099 4.541 4.640 0.000 0.000 0.197 10 D C 2.053 178.304 176.300 -0.081 0.000 0.987 10 D CA 0.707 54.674 54.000 -0.056 0.000 0.829 10 D CB -0.010 40.770 40.800 -0.033 0.000 0.961 10 D HN 0.232 nan 8.370 nan 0.000 0.460 11 L N 0.645 121.802 121.223 -0.111 0.000 2.072 11 L HA -0.054 4.286 4.340 0.000 0.000 0.205 11 L C 2.473 179.253 176.870 -0.150 0.000 1.079 11 L CA 0.877 55.634 54.840 -0.138 0.000 0.752 11 L CB -0.414 41.533 42.059 -0.186 0.000 0.906 11 L HN -0.047 nan 8.230 nan 0.000 0.436 12 A N -0.669 122.044 122.820 -0.179 0.000 2.131 12 A HA -0.221 4.099 4.320 0.000 0.000 0.220 12 A C 2.065 179.602 177.584 -0.079 0.000 1.158 12 A CA 1.406 53.360 52.037 -0.139 0.000 0.665 12 A CB -0.330 18.583 19.000 -0.144 0.000 0.795 12 A HN 0.517 nan 8.150 nan 0.000 0.460 13 Q N -0.700 119.056 119.800 -0.072 0.000 2.319 13 Q HA 0.032 4.372 4.340 0.000 0.000 0.209 13 Q C -0.223 175.752 176.000 -0.042 0.000 0.884 13 Q CA -0.254 55.520 55.803 -0.048 0.000 0.938 13 Q CB 0.387 29.099 28.738 -0.044 0.000 1.098 13 Q HN 0.541 nan 8.270 nan 0.000 0.517 14 D N 1.750 122.117 120.400 -0.054 0.000 2.358 14 D HA -0.010 4.630 4.640 0.000 0.000 0.258 14 D C -1.670 174.614 176.300 -0.027 0.000 1.223 14 D CA -1.594 52.376 54.000 -0.050 0.000 0.886 14 D CB 1.291 42.048 40.800 -0.072 0.000 1.120 14 D HN 0.071 nan 8.370 nan 0.000 0.482 15 P HA 0.005 nan 4.420 nan 0.000 0.249 15 P C 0.394 177.702 177.300 0.013 0.000 1.229 15 P CA 0.156 63.261 63.100 0.009 0.000 0.788 15 P CB 0.154 31.866 31.700 0.020 0.000 1.072 16 T N -3.458 111.093 114.554 -0.005 0.000 2.910 16 T HA 0.265 4.615 4.350 0.000 0.000 0.279 16 T C 1.472 176.167 174.700 -0.008 0.000 0.989 16 T CA 0.114 62.207 62.100 -0.012 0.000 0.968 16 T CB 0.485 69.344 68.868 -0.015 0.000 1.135 16 T HN -0.071 nan 8.240 nan 0.000 0.562 17 T N -1.531 113.017 114.554 -0.011 0.000 2.962 17 T HA -0.077 4.274 4.350 0.000 0.000 0.270 17 T C 1.886 176.629 174.700 0.072 0.000 1.088 17 T CA 0.746 62.830 62.100 -0.026 0.000 1.127 17 T CB -0.433 68.425 68.868 -0.017 0.000 0.883 17 T HN 0.662 nan 8.240 nan 0.000 0.493 18 R N 1.260 121.857 120.500 0.160 0.000 2.139 18 R HA -0.130 4.210 4.340 0.000 0.000 0.243 18 R C 2.729 179.149 176.300 0.200 0.000 1.145 18 R CA 1.413 57.660 56.100 0.246 0.000 0.976 18 R CB -0.311 30.000 30.300 0.019 0.000 0.866 18 R HN 0.498 nan 8.270 nan 0.000 0.449 19 R N 0.612 121.154 120.500 0.069 0.000 2.094 19 R HA -0.183 4.157 4.340 0.000 0.000 0.239 19 R C 2.148 178.514 176.300 0.109 0.000 1.137 19 R CA 2.172 58.297 56.100 0.042 0.000 0.943 19 R CB -0.404 29.895 30.300 -0.002 0.000 0.850 19 R HN 0.268 nan 8.270 nan 0.000 0.433 20 I N -0.679 119.949 120.570 0.097 0.000 2.142 20 I HA -0.292 3.879 4.170 0.000 0.000 0.240 20 I C 2.206 178.471 176.117 0.246 0.000 1.078 20 I CA 1.723 63.109 61.300 0.144 0.000 1.343 20 I CB -0.499 37.418 38.000 -0.138 0.000 1.046 20 I HN 0.334 nan 8.210 nan 0.000 0.405 21 W N -0.014 121.393 121.300 0.179 0.000 2.315 21 W HA -0.276 4.384 4.660 0.000 0.000 0.323 21 W C 2.659 179.264 176.519 0.143 0.000 1.233 21 W CA 0.549 57.981 57.345 0.146 0.000 1.267 21 W CB -0.791 28.758 29.460 0.148 0.000 1.160 21 W HN 0.041 nan 8.180 nan 0.000 0.474 22 Y N 0.122 120.585 120.300 0.272 0.000 2.224 22 Y HA -0.195 4.355 4.550 0.000 0.000 0.289 22 Y C 2.443 178.433 175.900 0.149 0.000 1.146 22 Y CA 1.410 59.599 58.100 0.148 0.000 1.182 22 Y CB -1.350 37.160 38.460 0.084 0.000 0.983 22 Y HN -0.035 nan 8.280 nan 0.000 0.524 23 A N 0.119 123.084 122.820 0.242 0.000 1.908 23 A HA -0.190 4.130 4.320 0.000 0.000 0.218 23 A C 2.264 180.044 177.584 0.325 0.000 1.181 23 A CA 1.900 54.006 52.037 0.116 0.000 0.627 23 A CB -1.060 17.687 19.000 -0.422 0.000 0.818 23 A HN 0.468 nan 8.150 nan 0.000 0.445 24 I N -0.331 120.431 120.570 0.320 0.000 2.226 24 I HA -0.261 3.909 4.170 0.000 0.000 0.245 24 I C 2.884 179.083 176.117 0.136 0.000 1.100 24 I CA 1.094 62.555 61.300 0.268 0.000 1.374 24 I CB -0.255 37.910 38.000 0.274 0.000 1.057 24 I HN 0.346 nan 8.210 nan 0.000 0.413 25 A N 0.141 123.018 122.820 0.095 0.000 2.067 25 A HA -0.091 4.229 4.320 0.000 0.000 0.219 25 A C 2.191 179.774 177.584 -0.001 0.000 1.158 25 A CA 1.339 53.364 52.037 -0.019 0.000 0.661 25 A CB -0.392 18.506 19.000 -0.171 0.000 0.801 25 A HN 0.423 nan 8.150 nan 0.000 0.452 26 M N -1.307 118.354 119.600 0.102 0.000 2.333 26 M HA 0.214 4.694 4.480 0.000 0.000 0.257 26 M C 2.070 178.399 176.300 0.049 0.000 1.078 26 M CA 0.516 55.892 55.300 0.126 0.000 1.005 26 M CB 0.182 32.945 32.600 0.272 0.000 1.444 26 M HN 0.383 nan 8.290 nan 0.000 0.496 27 A N 0.541 123.380 122.820 0.033 0.000 1.917 27 A HA -0.205 4.115 4.320 0.000 0.000 0.219 27 A C 1.603 179.301 177.584 0.189 0.000 1.182 27 A CA 1.731 53.723 52.037 -0.075 0.000 0.633 27 A CB -1.081 18.008 19.000 0.149 0.000 0.819 27 A HN 0.619 nan 8.150 nan 0.000 0.448 28 H N -2.163 116.878 119.070 -0.048 0.000 2.539 28 H HA 0.043 4.599 4.556 0.000 0.000 0.269 28 H C 0.026 175.006 175.328 -0.580 0.000 0.980 28 H CA 0.051 55.916 56.048 -0.306 0.000 1.152 28 H CB 0.290 29.878 29.762 -0.290 0.000 1.407 28 H HN 0.374 nan 8.280 nan 0.000 0.564 29 D N 0.854 121.148 120.400 -0.177 0.000 2.767 29 D HA -0.045 4.595 4.640 0.000 0.000 0.231 29 D C 0.863 176.926 176.300 -0.395 0.000 1.105 29 D CA -0.160 53.715 54.000 -0.207 0.000 1.024 29 D CB -0.951 39.822 40.800 -0.046 0.000 1.123 29 D HN 0.312 nan 8.370 nan 0.000 0.470 30 F N 0.316 119.909 119.950 -0.595 0.000 2.141 30 F HA -0.277 4.251 4.527 0.000 0.000 0.300 30 F C 2.137 177.614 175.800 -0.538 0.000 1.079 30 F CA 0.704 58.202 58.000 -0.837 0.000 1.264 30 F CB -0.083 38.669 39.000 -0.413 0.000 1.011 30 F HN 0.274 nan 8.300 nan 0.000 0.487 31 E N 0.212 120.355 120.200 -0.094 0.000 2.118 31 E HA -0.188 4.162 4.350 0.000 0.000 0.195 31 E C 1.880 178.482 176.600 0.003 0.000 0.992 31 E CA 1.604 57.991 56.400 -0.022 0.000 0.804 31 E CB -0.184 29.531 29.700 0.026 0.000 0.741 31 E HN 0.342 nan 8.360 nan 0.000 0.458 32 S N -0.302 115.400 115.700 0.003 0.000 2.634 32 S HA 0.053 4.523 4.470 0.000 0.000 0.221 32 S C 0.092 174.846 174.600 0.257 0.000 0.952 32 S CA -0.362 57.905 58.200 0.111 0.000 0.930 32 S CB -0.359 62.914 63.200 0.123 0.000 0.780 32 S HN 0.223 nan 8.310 nan 0.000 0.498 33 H N 2.089 121.225 119.070 0.110 0.000 2.652 33 H HA 0.192 4.748 4.556 0.000 0.000 0.349 33 H C -0.440 174.964 175.328 0.126 0.000 1.099 33 H CA -1.000 55.145 56.048 0.161 0.000 1.417 33 H CB 0.458 30.289 29.762 0.116 0.000 1.457 33 H HN 0.232 nan 8.280 nan 0.000 0.568 34 D N 1.806 122.354 120.400 0.246 0.000 2.586 34 D HA -0.028 4.612 4.640 0.000 0.000 0.234 34 D C 1.414 177.782 176.300 0.113 0.000 1.132 34 D CA 1.468 55.548 54.000 0.134 0.000 0.860 34 D CB 0.426 41.274 40.800 0.081 0.000 1.159 34 D HN 0.939 nan 8.370 nan 0.000 0.490 35 G N 1.957 110.804 108.800 0.078 0.000 2.155 35 G HA2 -0.350 3.610 3.960 0.000 0.000 0.257 35 G HA3 -0.350 3.610 3.960 0.000 0.000 0.257 35 G C 0.471 175.406 174.900 0.057 0.000 0.983 35 G CA 0.487 45.622 45.100 0.057 0.000 0.676 35 G HN 0.505 nan 8.290 nan 0.000 0.528 36 M N 2.519 122.164 119.600 0.075 0.000 2.252 36 M HA 0.498 4.978 4.480 0.000 0.000 0.348 36 M C 1.084 177.407 176.300 0.037 0.000 1.334 36 M CA 0.752 56.085 55.300 0.055 0.000 1.071 36 M CB 0.467 33.103 32.600 0.059 0.000 1.763 36 M HN 0.629 nan 8.290 nan 0.000 0.452 37 T N 0.415 114.985 114.554 0.027 0.000 2.950 37 T HA 0.409 4.759 4.350 0.000 0.000 0.288 37 T C 0.715 175.438 174.700 0.039 0.000 1.035 37 T CA -0.798 61.319 62.100 0.028 0.000 1.028 37 T CB 1.298 70.179 68.868 0.021 0.000 1.109 37 T HN 0.775 nan 8.240 nan 0.000 0.514 38 E N 0.204 120.434 120.200 0.050 0.000 2.077 38 E HA -0.210 4.140 4.350 0.000 0.000 0.193 38 E C 1.846 178.516 176.600 0.117 0.000 0.989 38 E CA 1.465 57.922 56.400 0.095 0.000 0.800 38 E CB 0.009 29.756 29.700 0.077 0.000 0.746 38 E HN 0.886 nan 8.360 nan 0.000 0.452 39 E N 0.166 120.397 120.200 0.051 0.000 2.077 39 E HA -0.200 4.150 4.350 0.000 0.000 0.193 39 E C 1.860 178.486 176.600 0.043 0.000 0.989 39 E CA 1.260 57.685 56.400 0.042 0.000 0.800 39 E CB 0.069 29.788 29.700 0.032 0.000 0.746 39 E HN 0.180 nan 8.360 nan 0.000 0.452 40 N N 0.664 119.378 118.700 0.022 0.000 2.223 40 N HA -0.158 4.582 4.740 0.000 0.000 0.185 40 N C 1.866 177.346 175.510 -0.050 0.000 1.016 40 N CA 0.727 53.770 53.050 -0.011 0.000 0.863 40 N CB -0.323 38.152 38.487 -0.020 0.000 0.983 40 N HN 0.207 nan 8.380 nan 0.000 0.429 41 L N 0.426 121.635 121.223 -0.024 0.000 1.989 41 L HA -0.169 4.171 4.340 0.000 0.000 0.211 41 L C 1.861 178.633 176.870 -0.163 0.000 1.071 41 L CA 1.671 56.470 54.840 -0.068 0.000 0.749 41 L CB -0.998 41.040 42.059 -0.035 0.000 0.890 41 L HN 0.058 nan 8.230 nan 0.000 0.431 42 Y N 0.203 120.309 120.300 -0.324 0.000 2.128 42 Y HA -0.272 4.278 4.550 0.000 0.000 0.284 42 Y C 2.732 178.226 175.900 -0.677 0.000 1.154 42 Y CA 2.055 59.752 58.100 -0.673 0.000 1.149 42 Y CB -0.597 37.190 38.460 -1.121 0.000 0.976 42 Y HN 0.384 nan 8.280 nan 0.000 0.505 43 Q N -0.116 119.546 119.800 -0.231 0.000 2.170 43 Q HA -0.212 4.128 4.340 0.000 0.000 0.203 43 Q C 2.197 178.232 176.000 0.058 0.000 0.976 43 Q CA 1.507 57.334 55.803 0.039 0.000 0.858 43 Q CB -0.176 28.632 28.738 0.116 0.000 0.907 43 Q HN 0.424 nan 8.270 nan 0.000 0.433 44 K N 0.617 120.971 120.400 -0.076 0.000 2.062 44 K HA -0.134 4.186 4.320 0.000 0.000 0.205 44 K C 1.968 178.548 176.600 -0.034 0.000 1.051 44 K CA 0.754 56.951 56.287 -0.149 0.000 0.941 44 K CB 0.134 32.363 32.500 -0.451 0.000 0.719 44 K HN 0.062 nan 8.250 nan 0.000 0.440 45 I N 1.203 121.755 120.570 -0.030 0.000 2.099 45 I HA -0.285 3.885 4.170 0.000 0.000 0.239 45 I C 2.288 178.266 176.117 -0.233 0.000 1.066 45 I CA 1.300 62.526 61.300 -0.125 0.000 1.324 45 I CB -1.470 36.313 38.000 -0.361 0.000 1.037 45 I HN 0.158 nan 8.210 nan 0.000 0.401 46 F N 1.900 121.709 119.950 -0.236 0.000 2.063 46 F HA -0.312 4.215 4.527 0.000 0.000 0.298 46 F C 2.543 178.485 175.800 0.236 0.000 1.105 46 F CA 1.898 59.925 58.000 0.046 0.000 1.215 46 F CB -0.701 38.548 39.000 0.414 0.000 0.972 46 F HN 0.098 nan 8.300 nan 0.000 0.483 47 A N -1.129 121.882 122.820 0.319 0.000 1.930 47 A HA -0.134 4.186 4.320 0.000 0.000 0.217 47 A C 2.376 180.088 177.584 0.213 0.000 1.175 47 A CA 1.817 54.006 52.037 0.252 0.000 0.627 47 A CB -1.167 17.916 19.000 0.138 0.000 0.815 47 A HN 0.410 nan 8.150 nan 0.000 0.443 48 S N -0.881 114.909 115.700 0.150 0.000 2.399 48 S HA -0.168 4.302 4.470 0.000 0.000 0.231 48 S C 1.676 176.415 174.600 0.233 0.000 1.022 48 S CA 1.305 59.604 58.200 0.165 0.000 0.983 48 S CB -0.592 62.713 63.200 0.175 0.000 0.803 48 S HN 0.799 nan 8.310 nan 0.000 0.480 49 H N -0.770 118.328 119.070 0.046 0.000 2.357 49 H HA -0.038 4.518 4.556 0.000 0.000 0.301 49 H C 1.769 177.035 175.328 -0.104 0.000 1.082 49 H CA 1.304 57.313 56.048 -0.065 0.000 1.342 49 H CB -0.159 29.523 29.762 -0.133 0.000 1.389 49 H HN 0.366 nan 8.280 nan 0.000 0.511 50 F N 0.381 120.369 119.950 0.063 0.000 2.134 50 F HA -0.138 4.389 4.527 0.000 0.000 0.299 50 F C 2.743 178.558 175.800 0.024 0.000 1.097 50 F CA 1.113 59.111 58.000 -0.003 0.000 1.264 50 F CB -0.494 38.468 39.000 -0.064 0.000 1.001 50 F HN 0.161 nan 8.300 nan 0.000 0.479 51 G N -1.420 107.520 108.800 0.233 0.000 2.418 51 G HA2 -0.288 3.673 3.960 0.000 0.000 0.217 51 G HA3 -0.288 3.673 3.960 0.000 0.000 0.217 51 G C 1.669 176.624 174.900 0.091 0.000 1.158 51 G CA 1.016 46.206 45.100 0.149 0.000 0.771 51 G HN 0.396 nan 8.290 nan 0.000 0.545 52 H N -0.048 119.023 119.070 0.002 0.000 2.321 52 H HA -0.014 4.542 4.556 0.000 0.000 0.300 52 H C 2.610 177.848 175.328 -0.150 0.000 1.087 52 H CA 1.182 57.189 56.048 -0.069 0.000 1.319 52 H CB -0.050 29.655 29.762 -0.093 0.000 1.379 52 H HN 0.174 nan 8.280 nan 0.000 0.501 53 L N 1.181 122.347 121.223 -0.095 0.000 2.012 53 L HA -0.159 4.181 4.340 0.000 0.000 0.210 53 L C 2.986 179.547 176.870 -0.515 0.000 1.073 53 L CA 1.912 56.535 54.840 -0.362 0.000 0.748 53 L CB -1.406 40.477 42.059 -0.294 0.000 0.891 53 L HN 0.341 nan 8.230 nan 0.000 0.431 54 A N -0.651 122.068 122.820 -0.167 0.000 1.908 54 A HA -0.218 4.102 4.320 0.000 0.000 0.218 54 A C 2.316 179.889 177.584 -0.019 0.000 1.181 54 A CA 2.000 54.038 52.037 0.001 0.000 0.627 54 A CB -0.756 18.298 19.000 0.090 0.000 0.818 54 A HN 0.438 nan 8.150 nan 0.000 0.445 55 I N -0.396 120.116 120.570 -0.097 0.000 2.226 55 I HA -0.272 3.898 4.170 0.000 0.000 0.245 55 I C 2.307 178.397 176.117 -0.045 0.000 1.100 55 I CA 1.337 62.588 61.300 -0.082 0.000 1.374 55 I CB -0.354 37.542 38.000 -0.173 0.000 1.057 55 I HN 0.324 nan 8.210 nan 0.000 0.413 56 I N 0.228 120.689 120.570 -0.182 0.000 2.179 56 I HA -0.324 3.846 4.170 0.000 0.000 0.242 56 I C 2.437 178.732 176.117 0.297 0.000 1.088 56 I CA 1.800 63.094 61.300 -0.009 0.000 1.357 56 I CB -0.429 37.461 38.000 -0.182 0.000 1.051 56 I HN 0.120 nan 8.210 nan 0.000 0.409 57 F N 0.552 120.583 119.950 0.135 0.000 2.134 57 F HA -0.240 4.287 4.527 0.000 0.000 0.299 57 F C 2.427 178.280 175.800 0.089 0.000 1.097 57 F CA 0.751 58.806 58.000 0.093 0.000 1.264 57 F CB -0.270 38.737 39.000 0.012 0.000 1.001 57 F HN 0.016 nan 8.300 nan 0.000 0.479 58 L N -1.338 120.054 121.223 0.282 0.000 2.093 58 L HA -0.229 4.111 4.340 0.000 0.000 0.208 58 L C 2.315 179.329 176.870 0.239 0.000 1.085 58 L CA 1.233 56.184 54.840 0.184 0.000 0.755 58 L CB -0.725 41.409 42.059 0.125 0.000 0.904 58 L HN 0.369 nan 8.230 nan 0.000 0.435 59 W N 0.741 122.089 121.300 0.080 0.000 2.333 59 W HA -0.205 4.455 4.660 0.000 0.000 0.316 59 W C 2.186 178.795 176.519 0.151 0.000 1.215 59 W CA 1.858 59.259 57.345 0.094 0.000 1.278 59 W CB -0.578 28.920 29.460 0.063 0.000 1.154 59 W HN -0.169 nan 8.180 nan 0.000 0.486 60 V N 0.571 120.529 119.914 0.073 0.000 2.427 60 V HA -0.300 3.820 4.120 0.000 0.000 0.248 60 V C 2.542 178.622 176.094 -0.023 0.000 1.051 60 V CA 2.151 64.370 62.300 -0.136 0.000 1.048 60 V CB -1.582 30.284 31.823 0.071 0.000 0.666 60 V HN 0.384 nan 8.190 nan 0.000 0.456 61 S N 0.741 116.466 115.700 0.043 0.000 2.400 61 S HA -0.149 4.321 4.470 0.000 0.000 0.232 61 S C 2.035 176.681 174.600 0.076 0.000 1.025 61 S CA 1.789 59.996 58.200 0.012 0.000 0.993 61 S CB -0.571 62.624 63.200 -0.008 0.000 0.808 61 S HN 0.657 nan 8.310 nan 0.000 0.478 62 G N -0.018 108.854 108.800 0.121 0.000 2.403 62 G HA2 -0.076 3.884 3.960 0.000 0.000 0.216 62 G HA3 -0.076 3.884 3.960 0.000 0.000 0.216 62 G C 1.656 176.736 174.900 0.299 0.000 1.154 62 G CA 0.907 46.159 45.100 0.253 0.000 0.784 62 G HN 0.564 nan 8.290 nan 0.000 0.538 63 S N 0.443 116.224 115.700 0.135 0.000 2.356 63 S HA -0.015 4.455 4.470 0.000 0.000 0.223 63 S C 2.325 177.088 174.600 0.273 0.000 1.032 63 S CA 0.805 59.121 58.200 0.193 0.000 1.005 63 S CB -0.264 62.984 63.200 0.079 0.000 0.867 63 S HN 0.303 nan 8.310 nan 0.000 0.449 64 L N -0.074 121.196 121.223 0.077 0.000 1.989 64 L HA -0.130 4.210 4.340 0.000 0.000 0.211 64 L C 2.256 179.065 176.870 -0.101 0.000 1.071 64 L CA 1.513 56.178 54.840 -0.291 0.000 0.749 64 L CB -0.551 41.236 42.059 -0.453 0.000 0.890 64 L HN 0.254 nan 8.230 nan 0.000 0.431 65 F N -0.044 119.863 119.950 -0.071 0.000 2.095 65 F HA -0.272 4.255 4.527 0.000 0.000 0.298 65 F C 2.774 178.606 175.800 0.053 0.000 1.104 65 F CA 1.745 59.727 58.000 -0.032 0.000 1.232 65 F CB -0.370 38.581 39.000 -0.081 0.000 0.987 65 F HN 0.128 nan 8.300 nan 0.000 0.475 66 H N -1.184 117.978 119.070 0.152 0.000 2.423 66 H HA -0.064 4.492 4.556 0.000 0.000 0.297 66 H C 2.518 177.882 175.328 0.060 0.000 1.075 66 H CA 1.600 57.740 56.048 0.153 0.000 1.342 66 H CB -0.351 29.555 29.762 0.240 0.000 1.395 66 H HN 0.213 nan 8.280 nan 0.000 0.530 67 V N 0.887 120.883 119.914 0.137 0.000 2.307 67 V HA -0.206 3.914 4.120 0.000 0.000 0.245 67 V C 2.785 178.862 176.094 -0.028 0.000 1.045 67 V CA 1.487 63.833 62.300 0.077 0.000 1.024 67 V CB -0.848 31.002 31.823 0.044 0.000 0.651 67 V HN 0.440 nan 8.190 nan 0.000 0.449 68 A N -1.079 121.665 122.820 -0.127 0.000 1.940 68 A HA -0.282 4.038 4.320 0.000 0.000 0.219 68 A C 1.981 179.528 177.584 -0.062 0.000 1.176 68 A CA 2.176 54.140 52.037 -0.121 0.000 0.631 68 A CB -0.769 18.140 19.000 -0.153 0.000 0.814 68 A HN 0.751 nan 8.150 nan 0.000 0.446 69 W N 0.118 121.173 121.300 -0.408 0.000 2.481 69 W HA 0.045 4.705 4.660 0.000 0.000 0.293 69 W C 1.701 178.113 176.519 -0.179 0.000 1.201 69 W CA 1.696 58.799 57.345 -0.403 0.000 1.328 69 W CB -0.128 28.866 29.460 -0.776 0.000 1.112 69 W HN 0.420 nan 8.180 nan 0.000 0.546 70 Q N -0.682 119.005 119.800 -0.188 0.000 2.164 70 Q HA 0.260 4.600 4.340 0.000 0.000 0.226 70 Q C 1.041 177.011 176.000 -0.049 0.000 0.813 70 Q CA 0.189 55.839 55.803 -0.255 0.000 0.978 70 Q CB 1.146 29.660 28.738 -0.373 0.000 1.149 70 Q HN 0.121 nan 8.270 nan 0.000 0.489 71 G N 1.943 110.771 108.800 0.047 0.000 2.509 71 G HA2 0.152 4.112 3.960 0.000 0.000 0.269 71 G HA3 0.152 4.112 3.960 0.000 0.000 0.269 71 G C 0.196 175.204 174.900 0.180 0.000 1.416 71 G CA -0.323 44.877 45.100 0.165 0.000 1.052 71 G HN 0.332 nan 8.290 nan 0.000 0.542 72 N N -1.503 117.391 118.700 0.322 0.000 2.536 72 N HA 0.071 4.811 4.740 0.000 0.000 0.286 72 N C 0.463 176.236 175.510 0.439 0.000 1.577 72 N CA -0.621 52.595 53.050 0.275 0.000 0.883 72 N CB 0.010 38.603 38.487 0.177 0.000 1.390 72 N HN 0.265 nan 8.380 nan 0.000 0.491 73 F N 1.813 121.910 119.950 0.245 0.000 2.095 73 F HA -0.070 4.458 4.527 0.000 0.000 0.298 73 F C 1.821 177.742 175.800 0.202 0.000 1.104 73 F CA 1.789 59.868 58.000 0.133 0.000 1.232 73 F CB 0.163 39.044 39.000 -0.197 0.000 0.987 73 F HN 0.177 nan 8.300 nan 0.000 0.475 74 E N -0.657 119.604 120.200 0.103 0.000 2.110 74 E HA -0.258 4.092 4.350 0.000 0.000 0.193 74 E C 2.057 178.640 176.600 -0.029 0.000 0.988 74 E CA 1.424 57.815 56.400 -0.015 0.000 0.804 74 E CB -0.152 29.576 29.700 0.047 0.000 0.745 74 E HN 0.506 nan 8.360 nan 0.000 0.458 75 Q N -0.594 119.228 119.800 0.037 0.000 2.123 75 Q HA -0.145 4.195 4.340 0.000 0.000 0.199 75 Q C 1.544 177.529 176.000 -0.024 0.000 0.966 75 Q CA 1.123 56.929 55.803 0.004 0.000 0.845 75 Q CB -0.287 28.470 28.738 0.032 0.000 0.907 75 Q HN 0.399 nan 8.270 nan 0.000 0.439 76 W N -0.160 121.049 121.300 -0.152 0.000 2.381 76 W HA -0.146 4.514 4.660 0.000 0.000 0.301 76 W C 1.777 178.048 176.519 -0.413 0.000 1.205 76 W CA 1.026 58.234 57.345 -0.228 0.000 1.285 76 W CB -0.139 29.291 29.460 -0.050 0.000 1.133 76 W HN -0.115 nan 8.180 nan 0.000 0.521 77 V N 0.753 120.548 119.914 -0.199 0.000 2.380 77 V HA -0.353 3.767 4.120 0.000 0.000 0.251 77 V C 2.345 178.212 176.094 -0.378 0.000 1.063 77 V CA 2.268 64.326 62.300 -0.404 0.000 1.055 77 V CB -0.855 30.769 31.823 -0.331 0.000 0.657 77 V HN 0.194 nan 8.190 nan 0.000 0.455 78 Q N -0.119 119.515 119.800 -0.276 0.000 2.016 78 Q HA -0.085 4.256 4.340 0.000 0.000 0.200 78 Q C 1.097 176.898 176.000 -0.331 0.000 0.978 78 Q CA 1.711 57.382 55.803 -0.220 0.000 0.833 78 Q CB -0.091 28.558 28.738 -0.148 0.000 0.895 78 Q HN 0.675 nan 8.270 nan 0.000 0.427 79 D N -1.548 118.580 120.400 -0.453 0.000 2.400 79 D HA 0.228 4.868 4.640 0.000 0.000 0.272 79 D C -2.289 173.475 176.300 -0.893 0.000 1.220 79 D CA -2.037 51.634 54.000 -0.549 0.000 0.897 79 D CB 1.050 41.637 40.800 -0.354 0.000 1.134 79 D HN -0.094 nan 8.370 nan 0.000 0.507 80 P HA -0.119 nan 4.420 nan 0.000 0.221 80 P C 1.286 177.819 177.300 -1.277 0.000 1.145 80 P CA 0.558 62.411 63.100 -2.078 0.000 0.795 80 P CB 0.540 30.874 31.700 -2.277 0.000 0.775 81 V N -0.650 118.738 119.914 -0.877 0.000 2.825 81 V HA -0.003 4.117 4.120 0.000 0.000 0.246 81 V C 1.692 177.597 176.094 -0.314 0.000 1.068 81 V CA 1.452 63.469 62.300 -0.471 0.000 1.088 81 V CB -0.667 30.949 31.823 -0.344 0.000 0.733 81 V HN 0.151 nan 8.190 nan 0.000 0.468 82 N N -0.650 117.853 118.700 -0.328 0.000 2.282 82 N HA 0.043 4.783 4.740 0.000 0.000 0.185 82 N C 0.570 175.974 175.510 -0.177 0.000 1.099 82 N CA 0.230 53.154 53.050 -0.210 0.000 0.878 82 N CB 0.490 38.872 38.487 -0.175 0.000 0.993 82 N HN 0.374 nan 8.380 nan 0.000 0.481 83 T N 2.415 116.826 114.554 -0.240 0.000 2.794 83 T HA 0.265 4.615 4.350 0.000 0.000 0.296 83 T C 0.498 175.211 174.700 0.022 0.000 0.949 83 T CA -0.458 61.576 62.100 -0.110 0.000 1.101 83 T CB 1.313 70.115 68.868 -0.110 0.000 0.905 83 T HN -0.130 nan 8.240 nan 0.000 0.516 84 R N 3.845 124.347 120.500 0.002 0.000 2.216 84 R HA 0.282 4.622 4.340 0.000 0.000 0.332 84 R C -2.696 173.537 176.300 -0.111 0.000 1.056 84 R CA -2.733 53.352 56.100 -0.026 0.000 0.901 84 R CB -0.004 30.268 30.300 -0.046 0.000 1.039 84 R HN 0.414 nan 8.270 nan 0.000 0.456 85 P HA 0.140 nan 4.420 nan 0.000 0.267 85 P C -0.081 176.846 177.300 -0.623 0.000 1.205 85 P CA 0.076 62.619 63.100 -0.929 0.000 0.765 85 P CB 0.480 31.304 31.700 -1.460 0.000 0.828 86 I N 2.317 122.646 120.570 -0.401 0.000 2.331 86 I HA 0.239 4.409 4.170 0.000 0.000 0.292 86 I C 1.408 177.522 176.117 -0.005 0.000 0.998 86 I CA -0.349 60.872 61.300 -0.132 0.000 1.267 86 I CB 1.613 39.608 38.000 -0.009 0.000 1.386 86 I HN 0.387 nan 8.210 nan 0.000 0.476 87 A N 5.715 128.462 122.820 -0.121 0.000 1.840 87 A HA 0.007 4.327 4.320 0.000 0.000 0.214 87 A C 0.420 178.018 177.584 0.024 0.000 1.198 87 A CA 1.600 53.597 52.037 -0.065 0.000 0.608 87 A CB -0.317 18.552 19.000 -0.218 0.000 0.839 87 A HN 0.921 nan 8.150 nan 0.000 0.443 88 H N -5.153 113.926 119.070 0.014 0.000 2.921 88 H HA 0.631 5.187 4.556 0.000 0.000 0.287 88 H C -0.568 174.729 175.328 -0.051 0.000 1.434 88 H CA -0.796 55.254 56.048 0.004 0.000 1.178 88 H CB 0.172 29.910 29.762 -0.039 0.000 1.836 88 H HN 0.406 nan 8.280 nan 0.000 0.495 89 A N 0.748 123.628 122.820 0.100 0.000 2.346 89 A HA 0.562 4.882 4.320 0.000 0.000 0.252 89 A C -0.176 177.482 177.584 0.123 0.000 1.089 89 A CA -0.407 51.642 52.037 0.020 0.000 0.797 89 A CB -0.051 18.894 19.000 -0.092 0.000 1.047 89 A HN 0.554 nan 8.150 nan 0.000 0.494 90 I N 0.598 121.170 120.570 0.004 0.000 2.441 90 I HA 0.325 4.495 4.170 0.000 0.000 0.295 90 I C -0.825 175.235 176.117 -0.096 0.000 0.994 90 I CA -0.177 61.066 61.300 -0.095 0.000 1.144 90 I CB 1.634 39.472 38.000 -0.270 0.000 1.314 90 I HN 0.770 nan 8.210 nan 0.000 0.445 91 W N 7.241 128.350 121.300 -0.318 0.000 2.534 91 W HA 0.289 4.949 4.660 0.000 0.000 0.292 91 W C -1.830 174.467 176.519 -0.370 0.000 1.027 91 W CA -0.488 56.675 57.345 -0.303 0.000 1.304 91 W CB 1.382 30.740 29.460 -0.170 0.000 1.187 91 W HN 0.441 nan 8.180 nan 0.000 0.356 92 D N 6.942 126.847 120.400 -0.824 0.000 2.402 92 D HA 0.311 4.951 4.640 0.000 0.000 0.252 92 D C -1.788 174.141 176.300 -0.618 0.000 1.294 92 D CA -1.903 51.698 54.000 -0.666 0.000 0.948 92 D CB 2.159 42.453 40.800 -0.843 0.000 1.202 92 D HN -0.009 nan 8.370 nan 0.000 0.561 93 P HA -0.139 nan 4.420 nan 0.000 0.221 93 P C 0.859 178.061 177.300 -0.164 0.000 1.141 93 P CA 1.192 64.117 63.100 -0.291 0.000 0.794 93 P CB 0.360 31.987 31.700 -0.122 0.000 0.764 94 Q N -2.271 117.462 119.800 -0.113 0.000 2.389 94 Q HA 0.051 4.391 4.340 0.000 0.000 0.204 94 Q C 0.535 176.576 176.000 0.069 0.000 0.944 94 Q CA -0.097 55.691 55.803 -0.025 0.000 0.908 94 Q CB -0.207 28.510 28.738 -0.036 0.000 1.002 94 Q HN 0.317 nan 8.270 nan 0.000 0.493 95 F N 0.893 120.710 119.950 -0.221 0.000 2.595 95 F HA 0.027 4.554 4.527 0.000 0.000 0.359 95 F C 1.339 177.050 175.800 -0.148 0.000 1.147 95 F CA -0.409 57.472 58.000 -0.199 0.000 1.341 95 F CB 0.476 39.342 39.000 -0.223 0.000 1.104 95 F HN 0.045 nan 8.300 nan 0.000 0.603 96 G N 2.274 111.060 108.800 -0.024 0.000 2.488 96 G HA2 0.268 4.228 3.960 0.000 0.000 0.318 96 G HA3 0.268 4.228 3.960 0.000 0.000 0.318 96 G C 0.266 175.158 174.900 -0.013 0.000 1.188 96 G CA -0.715 44.363 45.100 -0.035 0.000 0.944 96 G HN 0.522 nan 8.290 nan 0.000 0.495 97 K N 0.490 120.883 120.400 -0.012 0.000 2.074 97 K HA -0.094 4.226 4.320 0.000 0.000 0.209 97 K C 2.695 179.296 176.600 0.001 0.000 1.048 97 K CA 1.815 58.103 56.287 0.001 0.000 0.926 97 K CB -0.582 31.915 32.500 -0.005 0.000 0.713 97 K HN 0.449 nan 8.250 nan 0.000 0.444 98 A N 0.686 123.493 122.820 -0.023 0.000 1.933 98 A HA -0.047 4.273 4.320 0.000 0.000 0.218 98 A C 2.339 179.900 177.584 -0.038 0.000 1.175 98 A CA 1.897 53.917 52.037 -0.029 0.000 0.628 98 A CB -0.797 18.181 19.000 -0.037 0.000 0.814 98 A HN 0.293 nan 8.150 nan 0.000 0.444 99 A N -0.658 122.104 122.820 -0.096 0.000 1.898 99 A HA 0.056 4.376 4.320 0.000 0.000 0.216 99 A C 2.184 179.846 177.584 0.129 0.000 1.181 99 A CA 1.567 53.501 52.037 -0.171 0.000 0.620 99 A CB -0.819 17.706 19.000 -0.792 0.000 0.819 99 A HN 0.351 nan 8.150 nan 0.000 0.442 100 V N 0.772 120.800 119.914 0.191 0.000 2.407 100 V HA -0.239 3.881 4.120 0.000 0.000 0.248 100 V C 2.096 178.292 176.094 0.170 0.000 1.055 100 V CA 2.295 64.754 62.300 0.265 0.000 1.049 100 V CB -0.719 31.182 31.823 0.130 0.000 0.662 100 V HN 0.516 nan 8.190 nan 0.000 0.455 101 D N 0.474 120.926 120.400 0.087 0.000 2.097 101 D HA -0.085 4.555 4.640 0.000 0.000 0.197 101 D C 2.270 178.583 176.300 0.021 0.000 0.984 101 D CA 1.570 55.596 54.000 0.043 0.000 0.826 101 D CB -0.363 40.444 40.800 0.011 0.000 0.973 101 D HN 0.428 nan 8.370 nan 0.000 0.460 102 A N 0.248 123.061 122.820 -0.013 0.000 1.978 102 A HA -0.167 4.153 4.320 0.000 0.000 0.220 102 A C 1.776 179.199 177.584 -0.269 0.000 1.170 102 A CA 1.133 53.069 52.037 -0.169 0.000 0.636 102 A CB -0.826 18.005 19.000 -0.282 0.000 0.810 102 A HN 0.187 nan 8.150 nan 0.000 0.448 103 F N -0.223 119.741 119.950 0.023 0.000 2.776 103 F HA 0.108 4.635 4.527 0.000 0.000 0.300 103 F C 0.766 176.580 175.800 0.023 0.000 1.116 103 F CA 0.468 58.494 58.000 0.044 0.000 1.375 103 F CB 0.042 39.113 39.000 0.119 0.000 1.109 103 F HN -0.119 nan 8.300 nan 0.000 0.585 104 T N 3.713 118.351 114.554 0.139 0.000 2.987 104 T HA 0.220 4.571 4.350 0.000 0.000 0.288 104 T C 0.088 174.804 174.700 0.027 0.000 0.981 104 T CA -0.258 61.886 62.100 0.074 0.000 1.031 104 T CB -0.457 68.443 68.868 0.053 0.000 0.976 104 T HN 0.358 nan 8.240 nan 0.000 0.612 105 Q N 1.014 120.826 119.800 0.021 0.000 3.019 105 Q HA 0.699 5.039 4.340 0.000 0.000 0.337 105 Q C 0.178 176.172 176.000 -0.010 0.000 0.900 105 Q CA -0.989 54.809 55.803 -0.009 0.000 0.800 105 Q CB 0.782 29.503 28.738 -0.028 0.000 1.437 105 Q HN 0.314 nan 8.270 nan 0.000 0.505 106 A N -0.891 121.916 122.820 -0.021 0.000 2.790 106 A HA -0.131 4.189 4.320 0.000 0.000 0.277 106 A C 1.216 178.790 177.584 -0.017 0.000 1.435 106 A CA 1.936 53.957 52.037 -0.026 0.000 0.877 106 A CB -2.476 16.501 19.000 -0.038 0.000 1.007 106 A HN 2.326 nan 8.150 nan 0.000 0.613 107 G N -3.506 105.285 108.800 -0.015 0.000 2.143 107 G HA2 0.195 4.155 3.960 0.000 0.000 0.248 107 G HA3 0.195 4.155 3.960 0.000 0.000 0.248 107 G C 0.721 175.618 174.900 -0.004 0.000 0.991 107 G CA 1.184 46.278 45.100 -0.011 0.000 0.689 107 G HN 2.497 nan 8.290 nan 0.000 0.522 108 A N -0.117 122.702 122.820 -0.001 0.000 2.264 108 A HA 0.835 5.155 4.320 0.000 0.000 0.304 108 A C 1.357 178.943 177.584 0.003 0.000 1.100 108 A CA 0.827 52.864 52.037 0.001 0.000 0.839 108 A CB 0.817 19.817 19.000 0.000 0.000 1.121 108 A HN 1.587 nan 8.150 nan 0.000 0.496 109 S N 0.071 115.772 115.700 0.003 0.000 2.582 109 S HA 0.199 4.669 4.470 0.000 0.000 0.234 109 S C 0.059 174.665 174.600 0.010 0.000 0.961 109 S CA -0.154 58.049 58.200 0.006 0.000 0.953 109 S CB -0.857 62.346 63.200 0.005 0.000 0.800 109 S HN 0.884 nan 8.310 nan 0.000 0.471 110 N N -0.490 118.217 118.700 0.011 0.000 2.823 110 N HA 0.354 5.094 4.740 0.000 0.000 0.251 110 N C -3.833 171.693 175.510 0.028 0.000 1.392 110 N CA -1.752 51.307 53.050 0.015 0.000 0.864 110 N CB 0.522 39.014 38.487 0.008 0.000 1.481 110 N HN -0.185 nan 8.380 nan 0.000 0.508 111 P HA 0.088 nan 4.420 nan 0.000 0.265 111 P C -0.352 176.973 177.300 0.041 0.000 1.193 111 P CA 0.018 63.172 63.100 0.089 0.000 0.765 111 P CB 0.692 32.416 31.700 0.040 0.000 0.823 112 V N -0.221 119.743 119.914 0.083 0.000 3.202 112 V HA 0.647 4.767 4.120 0.000 0.000 0.306 112 V C -1.357 174.744 176.094 0.012 0.000 1.283 112 V CA -0.881 61.416 62.300 -0.006 0.000 1.065 112 V CB 2.688 34.492 31.823 -0.030 0.000 1.079 112 V HN 0.220 nan 8.190 nan 0.000 0.448 113 D N 1.428 121.734 120.400 -0.156 0.000 2.350 113 D HA 0.547 5.187 4.640 0.000 0.000 0.245 113 D C -0.744 175.446 176.300 -0.183 0.000 1.036 113 D CA -0.263 53.654 54.000 -0.138 0.000 0.848 113 D CB 2.364 42.973 40.800 -0.317 0.000 1.307 113 D HN 0.421 nan 8.370 nan 0.000 0.469 114 I N 1.422 121.903 120.570 -0.148 0.000 2.474 114 I HA 0.203 4.373 4.170 0.000 0.000 0.287 114 I C 0.797 176.564 176.117 -0.583 0.000 1.048 114 I CA -0.740 60.358 61.300 -0.336 0.000 1.383 114 I CB 0.410 38.216 38.000 -0.323 0.000 1.412 114 I HN 0.287 nan 8.210 nan 0.000 0.531 115 A N 6.591 129.069 122.820 -0.569 0.000 2.328 115 A HA 0.449 4.769 4.320 0.000 0.000 0.284 115 A C -0.400 176.830 177.584 -0.590 0.000 1.160 115 A CA -0.191 51.568 52.037 -0.465 0.000 0.818 115 A CB 0.019 18.863 19.000 -0.260 0.000 1.087 115 A HN 0.697 nan 8.150 nan 0.000 0.504 116 Y N 1.471 121.770 120.300 -0.002 0.000 2.682 116 Y HA 0.071 4.621 4.550 0.000 0.000 0.251 116 Y C 1.937 177.820 175.900 -0.028 0.000 1.172 116 Y CA 0.308 58.397 58.100 -0.019 0.000 1.186 116 Y CB 0.684 39.131 38.460 -0.022 0.000 1.216 116 Y HN 0.761 nan 8.280 nan 0.000 0.540 117 S N -1.265 114.464 115.700 0.049 0.000 2.562 117 S HA 0.194 4.664 4.470 0.000 0.000 0.221 117 S C 1.920 176.504 174.600 -0.026 0.000 0.975 117 S CA 0.544 58.741 58.200 -0.006 0.000 0.918 117 S CB -0.031 63.146 63.200 -0.038 0.000 0.772 117 S HN 0.611 nan 8.310 nan 0.000 0.531 118 G N 1.124 109.924 108.800 0.000 0.000 2.148 118 G HA2 -0.355 3.605 3.960 0.000 0.000 0.254 118 G HA3 -0.355 3.605 3.960 0.000 0.000 0.254 118 G C 0.871 175.740 174.900 -0.051 0.000 0.981 118 G CA 0.651 45.776 45.100 0.042 0.000 0.670 118 G HN 1.348 nan 8.290 nan 0.000 0.528 119 V N -3.227 116.541 119.914 -0.242 0.000 2.490 119 V HA -0.131 3.989 4.120 0.000 0.000 0.250 119 V C 2.159 177.756 176.094 -0.827 0.000 1.061 119 V CA 2.220 64.079 62.300 -0.734 0.000 1.064 119 V CB -0.889 30.174 31.823 -1.267 0.000 0.670 119 V HN 0.344 nan 8.190 nan 0.000 0.461 120 Y N 1.691 121.598 120.300 -0.656 0.000 2.145 120 Y HA -0.101 4.449 4.550 0.000 0.000 0.286 120 Y C 2.737 178.325 175.900 -0.521 0.000 1.145 120 Y CA 2.085 59.781 58.100 -0.674 0.000 1.148 120 Y CB -1.128 36.462 38.460 -1.450 0.000 0.981 120 Y HN 0.388 nan 8.280 nan 0.000 0.507 121 H N -2.835 116.131 119.070 -0.174 0.000 2.352 121 H HA -0.224 4.332 4.556 0.000 0.000 0.299 121 H C 1.815 177.260 175.328 0.196 0.000 1.097 121 H CA 1.751 57.954 56.048 0.258 0.000 1.311 121 H CB -0.764 29.188 29.762 0.316 0.000 1.377 121 H HN 0.468 nan 8.280 nan 0.000 0.504 122 W N 0.838 121.935 121.300 -0.338 0.000 2.379 122 W HA -0.157 4.503 4.660 0.000 0.000 0.307 122 W C 1.210 177.717 176.519 -0.019 0.000 1.200 122 W CA 0.777 57.698 57.345 -0.707 0.000 1.297 122 W CB -0.708 28.160 29.460 -0.987 0.000 1.140 122 W HN 0.194 nan 8.180 nan 0.000 0.507 123 W N -0.359 120.821 121.300 -0.201 0.000 2.363 123 W HA -0.184 4.476 4.660 0.000 0.000 0.296 123 W C 2.352 178.995 176.519 0.207 0.000 1.212 123 W CA 1.267 58.447 57.345 -0.275 0.000 1.260 123 W CB -2.000 27.175 29.460 -0.476 0.000 1.131 123 W HN 0.033 nan 8.180 nan 0.000 0.530 124 Y N 1.823 122.437 120.300 0.523 0.000 2.070 124 Y HA -0.294 4.256 4.550 0.000 0.000 0.280 124 Y C 2.574 178.797 175.900 0.538 0.000 1.148 124 Y CA 2.856 61.308 58.100 0.587 0.000 1.125 124 Y CB -0.919 37.946 38.460 0.675 0.000 0.975 124 Y HN -0.205 nan 8.280 nan 0.000 0.492 125 T N 1.963 116.809 114.554 0.486 0.000 2.699 125 T HA -0.220 4.130 4.350 0.000 0.000 0.268 125 T C 1.831 176.795 174.700 0.441 0.000 1.036 125 T CA 2.169 64.525 62.100 0.427 0.000 1.147 125 T CB -0.799 68.442 68.868 0.622 0.000 0.862 125 T HN 0.645 nan 8.240 nan 0.000 0.446 126 I N -1.500 119.349 120.570 0.464 0.000 3.564 126 I HA 0.431 4.601 4.170 0.000 0.000 0.294 126 I C 1.516 177.851 176.117 0.363 0.000 1.289 126 I CA 0.501 62.080 61.300 0.465 0.000 1.325 126 I CB -0.400 37.959 38.000 0.600 0.000 1.039 126 I HN 0.359 nan 8.210 nan 0.000 0.474 127 G N 0.995 109.959 108.800 0.273 0.000 2.192 127 G HA2 -0.141 3.819 3.960 0.000 0.000 0.193 127 G HA3 -0.141 3.819 3.960 0.000 0.000 0.193 127 G C 0.108 175.138 174.900 0.216 0.000 0.999 127 G CA -0.351 44.861 45.100 0.186 0.000 0.659 127 G HN 0.199 nan 8.290 nan 0.000 0.503 128 M N 0.311 120.085 119.600 0.290 0.000 2.217 128 M HA 0.493 4.973 4.480 0.000 0.000 0.354 128 M C 1.307 177.933 176.300 0.543 0.000 1.225 128 M CA 0.240 55.724 55.300 0.306 0.000 1.137 128 M CB 0.964 33.647 32.600 0.137 0.000 1.576 128 M HN 0.121 nan 8.290 nan 0.000 0.461 129 R N 0.636 121.399 120.500 0.439 0.000 2.470 129 R HA 0.167 4.507 4.340 0.000 0.000 0.210 129 R C 0.516 177.010 176.300 0.323 0.000 0.873 129 R CA 0.648 56.962 56.100 0.357 0.000 1.015 129 R CB 0.326 30.755 30.300 0.215 0.000 1.348 129 R HN 0.828 nan 8.270 nan 0.000 0.650 130 T N -1.500 113.228 114.554 0.290 0.000 2.932 130 T HA 0.343 4.693 4.350 0.000 0.000 0.289 130 T C 0.759 175.570 174.700 0.185 0.000 1.039 130 T CA -0.730 61.496 62.100 0.209 0.000 1.024 130 T CB 1.918 70.836 68.868 0.083 0.000 1.090 130 T HN -0.195 nan 8.240 nan 0.000 0.496 131 N N 0.819 119.600 118.700 0.135 0.000 2.348 131 N HA -0.044 4.696 4.740 0.000 0.000 0.185 131 N C 1.997 177.512 175.510 0.008 0.000 1.019 131 N CA 1.413 54.490 53.050 0.046 0.000 0.880 131 N CB -0.624 37.879 38.487 0.027 0.000 0.965 131 N HN 0.902 nan 8.380 nan 0.000 0.437 132 G N 0.701 109.514 108.800 0.022 0.000 2.421 132 G HA2 -0.168 3.793 3.960 0.000 0.000 0.217 132 G HA3 -0.168 3.793 3.960 0.000 0.000 0.217 132 G C 1.227 176.166 174.900 0.064 0.000 1.143 132 G CA 0.384 45.507 45.100 0.038 0.000 0.784 132 G HN 0.191 nan 8.290 nan 0.000 0.541 133 D N 0.795 121.213 120.400 0.030 0.000 2.097 133 D HA -0.074 4.566 4.640 0.000 0.000 0.195 133 D C 2.696 178.926 176.300 -0.117 0.000 0.989 133 D CA 0.507 54.504 54.000 -0.005 0.000 0.827 133 D CB -0.265 40.541 40.800 0.011 0.000 0.966 133 D HN 0.275 nan 8.370 nan 0.000 0.456 134 L N -0.253 120.840 121.223 -0.216 0.000 2.017 134 L HA -0.216 4.124 4.340 0.000 0.000 0.208 134 L C 2.547 179.298 176.870 -0.198 0.000 1.073 134 L CA 1.198 55.794 54.840 -0.406 0.000 0.745 134 L CB -0.698 41.038 42.059 -0.539 0.000 0.894 134 L HN 0.065 nan 8.230 nan 0.000 0.432 135 Y N 1.472 121.668 120.300 -0.174 0.000 2.165 135 Y HA -0.369 4.181 4.550 0.000 0.000 0.286 135 Y C 2.901 178.775 175.900 -0.043 0.000 1.155 135 Y CA 2.221 60.279 58.100 -0.070 0.000 1.164 135 Y CB -0.341 38.095 38.460 -0.040 0.000 0.978 135 Y HN 0.346 nan 8.280 nan 0.000 0.513 136 Q N -0.910 118.918 119.800 0.047 0.000 2.124 136 Q HA -0.066 4.274 4.340 0.000 0.000 0.202 136 Q C 2.355 178.311 176.000 -0.072 0.000 0.977 136 Q CA 1.609 57.396 55.803 -0.027 0.000 0.850 136 Q CB -0.960 27.817 28.738 0.066 0.000 0.901 136 Q HN 0.433 nan 8.270 nan 0.000 0.429 137 G N 0.872 109.612 108.800 -0.099 0.000 2.402 137 G HA2 -0.177 3.783 3.960 0.000 0.000 0.216 137 G HA3 -0.177 3.783 3.960 0.000 0.000 0.216 137 G C 1.585 176.429 174.900 -0.094 0.000 1.162 137 G CA 0.833 45.879 45.100 -0.091 0.000 0.777 137 G HN 0.534 nan 8.290 nan 0.000 0.539 138 A N 1.006 123.720 122.820 -0.176 0.000 1.902 138 A HA 0.012 4.332 4.320 0.000 0.000 0.217 138 A C 2.329 179.792 177.584 -0.201 0.000 1.181 138 A CA 1.399 53.340 52.037 -0.161 0.000 0.623 138 A CB -0.292 18.653 19.000 -0.091 0.000 0.818 138 A HN 0.278 nan 8.150 nan 0.000 0.443 139 I N -1.414 118.982 120.570 -0.289 0.000 2.315 139 I HA -0.173 3.997 4.170 0.000 0.000 0.248 139 I C 2.310 178.349 176.117 -0.130 0.000 1.117 139 I CA 1.197 62.328 61.300 -0.282 0.000 1.404 139 I CB -1.386 36.392 38.000 -0.370 0.000 1.071 139 I HN 0.448 nan 8.210 nan 0.000 0.419 140 F N 1.748 121.564 119.950 -0.224 0.000 2.186 140 F HA -0.143 4.384 4.527 0.000 0.000 0.299 140 F C 2.257 177.937 175.800 -0.200 0.000 1.090 140 F CA 1.438 59.321 58.000 -0.194 0.000 1.307 140 F CB -0.415 38.483 39.000 -0.170 0.000 1.019 140 F HN -0.074 nan 8.300 nan 0.000 0.489 141 L N -0.779 120.263 121.223 -0.302 0.000 2.217 141 L HA -0.171 4.169 4.340 0.000 0.000 0.211 141 L C 2.252 178.965 176.870 -0.262 0.000 1.107 141 L CA 0.181 54.790 54.840 -0.385 0.000 0.783 141 L CB -0.590 41.366 42.059 -0.172 0.000 0.919 141 L HN 0.172 nan 8.230 nan 0.000 0.442 142 L N -0.357 120.745 121.223 -0.202 0.000 2.046 142 L HA -0.209 4.132 4.340 0.000 0.000 0.208 142 L C 2.325 179.097 176.870 -0.164 0.000 1.077 142 L CA 1.675 56.422 54.840 -0.155 0.000 0.747 142 L CB -0.492 41.459 42.059 -0.180 0.000 0.896 142 L HN 0.125 nan 8.230 nan 0.000 0.432 143 I N -1.190 119.244 120.570 -0.227 0.000 2.252 143 I HA -0.256 3.914 4.170 0.000 0.000 0.245 143 I C 2.480 178.441 176.117 -0.259 0.000 1.102 143 I CA 1.186 62.355 61.300 -0.218 0.000 1.385 143 I CB -1.049 36.832 38.000 -0.198 0.000 1.064 143 I HN 0.219 nan 8.210 nan 0.000 0.414 144 L N 0.613 121.556 121.223 -0.468 0.000 2.083 144 L HA -0.177 4.163 4.340 0.000 0.000 0.209 144 L C 2.789 179.628 176.870 -0.053 0.000 1.083 144 L CA 1.264 55.827 54.840 -0.462 0.000 0.752 144 L CB -0.620 40.804 42.059 -1.058 0.000 0.899 144 L HN 0.189 nan 8.230 nan 0.000 0.433 145 A N -0.563 122.283 122.820 0.042 0.000 1.902 145 A HA -0.204 4.117 4.320 0.000 0.000 0.217 145 A C 2.506 180.171 177.584 0.136 0.000 1.181 145 A CA 2.086 54.264 52.037 0.234 0.000 0.623 145 A CB -0.606 18.485 19.000 0.151 0.000 0.818 145 A HN 0.375 nan 8.150 nan 0.000 0.443 146 S N -0.137 115.585 115.700 0.038 0.000 2.359 146 S HA -0.140 4.330 4.470 0.000 0.000 0.224 146 S C 1.852 176.502 174.600 0.083 0.000 1.035 146 S CA 1.540 59.758 58.200 0.028 0.000 1.018 146 S CB -0.494 62.681 63.200 -0.042 0.000 0.876 146 S HN 0.500 nan 8.310 nan 0.000 0.448 147 L N 0.970 122.233 121.223 0.066 0.000 2.017 147 L HA -0.172 4.168 4.340 0.000 0.000 0.208 147 L C 2.786 179.784 176.870 0.212 0.000 1.073 147 L CA 1.330 56.243 54.840 0.122 0.000 0.745 147 L CB -0.659 41.446 42.059 0.077 0.000 0.894 147 L HN 0.342 nan 8.230 nan 0.000 0.432 148 A N -0.217 122.765 122.820 0.270 0.000 1.933 148 A HA -0.161 4.159 4.320 0.000 0.000 0.218 148 A C 2.227 179.964 177.584 0.255 0.000 1.175 148 A CA 1.389 53.655 52.037 0.382 0.000 0.628 148 A CB -0.619 18.628 19.000 0.412 0.000 0.814 148 A HN 0.371 nan 8.150 nan 0.000 0.444 149 L N -2.300 119.035 121.223 0.186 0.000 2.027 149 L HA -0.114 4.226 4.340 0.000 0.000 0.206 149 L C 2.476 179.398 176.870 0.086 0.000 1.074 149 L CA 1.512 56.429 54.840 0.128 0.000 0.745 149 L CB -0.555 41.567 42.059 0.105 0.000 0.898 149 L HN 0.493 nan 8.230 nan 0.000 0.433 150 F N 1.008 120.947 119.950 -0.017 0.000 2.102 150 F HA -0.228 4.299 4.527 0.000 0.000 0.298 150 F C 2.448 178.205 175.800 -0.072 0.000 1.105 150 F CA 1.276 59.262 58.000 -0.023 0.000 1.239 150 F CB -0.298 38.665 39.000 -0.063 0.000 0.991 150 F HN -0.005 nan 8.300 nan 0.000 0.474 151 A N 0.279 122.964 122.820 -0.226 0.000 1.908 151 A HA -0.077 4.243 4.320 0.000 0.000 0.218 151 A C 2.497 179.479 177.584 -1.004 0.000 1.181 151 A CA 1.731 53.387 52.037 -0.636 0.000 0.627 151 A CB -1.824 16.790 19.000 -0.642 0.000 0.818 151 A HN 0.519 nan 8.150 nan 0.000 0.445 152 G N -1.693 106.604 108.800 -0.839 0.000 2.418 152 G HA2 -0.276 3.684 3.960 0.000 0.000 0.217 152 G HA3 -0.276 3.684 3.960 0.000 0.000 0.217 152 G C 1.401 176.132 174.900 -0.282 0.000 1.158 152 G CA 1.073 45.880 45.100 -0.489 0.000 0.771 152 G HN 0.729 nan 8.290 nan 0.000 0.545 153 W N 0.830 121.879 121.300 -0.418 0.000 2.381 153 W HA 0.062 4.722 4.660 0.000 0.000 0.301 153 W C 2.149 178.368 176.519 -0.500 0.000 1.205 153 W CA 1.092 58.208 57.345 -0.382 0.000 1.285 153 W CB -0.345 28.877 29.460 -0.396 0.000 1.133 153 W HN 0.142 nan 8.180 nan 0.000 0.521 154 L N 0.335 121.068 121.223 -0.818 0.000 1.994 154 L HA -0.231 4.109 4.340 0.000 0.000 0.208 154 L C 2.319 178.630 176.870 -0.932 0.000 1.071 154 L CA 2.006 56.151 54.840 -1.158 0.000 0.745 154 L CB -1.118 40.201 42.059 -1.233 0.000 0.892 154 L HN 0.046 nan 8.230 nan 0.000 0.431 155 H N -0.573 118.222 119.070 -0.459 0.000 2.562 155 H HA 0.094 4.650 4.556 0.000 0.000 0.274 155 H C 1.609 176.880 175.328 -0.095 0.000 1.038 155 H CA 0.582 56.537 56.048 -0.155 0.000 1.161 155 H CB 0.106 29.897 29.762 0.048 0.000 1.318 155 H HN 0.398 nan 8.280 nan 0.000 0.617 156 L N -0.079 121.010 121.223 -0.223 0.000 2.638 156 L HA 0.061 4.401 4.340 0.000 0.000 0.232 156 L C 0.468 177.190 176.870 -0.247 0.000 1.099 156 L CA 0.102 54.835 54.840 -0.178 0.000 0.883 156 L CB 0.392 42.321 42.059 -0.217 0.000 1.136 156 L HN 0.051 nan 8.230 nan 0.000 0.492 157 Q N 0.267 119.843 119.800 -0.373 0.000 2.327 157 Q HA 0.135 4.475 4.340 0.000 0.000 0.254 157 Q C -1.585 174.364 176.000 -0.085 0.000 0.952 157 Q CA -1.749 53.876 55.803 -0.295 0.000 0.884 157 Q CB 0.650 29.140 28.738 -0.413 0.000 1.224 157 Q HN -0.096 nan 8.270 nan 0.000 0.422 158 P HA -0.262 nan 4.420 nan 0.000 0.218 158 P C 0.465 177.703 177.300 -0.104 0.000 1.165 158 P CA 1.885 64.945 63.100 -0.068 0.000 0.922 158 P CB 0.278 31.941 31.700 -0.062 0.000 0.794 159 K N -1.846 118.458 120.400 -0.160 0.000 2.283 159 K HA -0.034 4.286 4.320 0.000 0.000 0.202 159 K C 1.119 177.337 176.600 -0.636 0.000 1.048 159 K CA 1.255 57.284 56.287 -0.431 0.000 0.948 159 K CB -0.926 31.196 32.500 -0.631 0.000 0.742 159 K HN 0.275 nan 8.250 nan 0.000 0.458 160 F N 0.556 120.421 119.950 -0.141 0.000 2.683 160 F HA 0.274 4.801 4.527 0.000 0.000 0.306 160 F C -0.140 175.652 175.800 -0.014 0.000 1.102 160 F CA -0.813 57.121 58.000 -0.109 0.000 1.244 160 F CB 0.193 39.044 39.000 -0.248 0.000 1.029 160 F HN -0.300 nan 8.300 nan 0.000 0.545 161 R N 2.131 122.678 120.500 0.078 0.000 2.296 161 R HA 0.230 4.570 4.340 0.000 0.000 0.323 161 R C -2.424 173.871 176.300 -0.007 0.000 1.067 161 R CA -1.549 54.603 56.100 0.088 0.000 0.946 161 R CB -0.242 30.093 30.300 0.058 0.000 0.991 161 R HN -0.075 nan 8.270 nan 0.000 0.448 162 P HA -0.067 nan 4.420 nan 0.000 0.267 162 P C -0.236 177.016 177.300 -0.080 0.000 1.200 162 P CA 0.009 62.838 63.100 -0.452 0.000 0.772 162 P CB 0.798 31.747 31.700 -1.252 0.000 0.855 163 S N 2.371 118.017 115.700 -0.090 0.000 2.617 163 S HA 0.122 4.592 4.470 0.000 0.000 0.269 163 S C 1.089 175.800 174.600 0.185 0.000 1.292 163 S CA -0.534 57.699 58.200 0.055 0.000 1.010 163 S CB 0.244 63.450 63.200 0.010 0.000 0.944 163 S HN 0.328 nan 8.310 nan 0.000 0.536 164 L N 2.654 123.965 121.223 0.148 0.000 2.012 164 L HA -0.096 4.244 4.340 0.000 0.000 0.210 164 L C 2.770 179.656 176.870 0.027 0.000 1.073 164 L CA 2.706 57.596 54.840 0.082 0.000 0.748 164 L CB -1.526 40.496 42.059 -0.061 0.000 0.891 164 L HN 1.041 nan 8.230 nan 0.000 0.431 165 S N -1.743 113.966 115.700 0.016 0.000 2.387 165 S HA -0.323 4.147 4.470 0.000 0.000 0.230 165 S C 1.908 176.502 174.600 -0.010 0.000 1.035 165 S CA 1.328 59.522 58.200 -0.010 0.000 1.014 165 S CB -1.633 61.566 63.200 -0.002 0.000 0.836 165 S HN 0.672 nan 8.310 nan 0.000 0.466 166 W N 1.423 122.613 121.300 -0.184 0.000 2.358 166 W HA 0.034 4.694 4.660 0.000 0.000 0.303 166 W C 1.608 177.926 176.519 -0.334 0.000 1.208 166 W CA 1.200 58.369 57.345 -0.294 0.000 1.274 166 W CB -0.517 28.680 29.460 -0.438 0.000 1.138 166 W HN 0.301 nan 8.180 nan 0.000 0.515 167 F N 0.520 120.440 119.950 -0.051 0.000 2.293 167 F HA -0.073 4.454 4.527 0.000 0.000 0.300 167 F C 2.145 177.776 175.800 -0.282 0.000 1.086 167 F CA 1.468 59.347 58.000 -0.201 0.000 1.375 167 F CB -0.360 38.559 39.000 -0.135 0.000 1.045 167 F HN -0.254 nan 8.300 nan 0.000 0.516 168 K N -0.209 120.122 120.400 -0.114 0.000 2.404 168 K HA -0.009 4.311 4.320 0.000 0.000 0.194 168 K C 0.359 176.883 176.600 -0.127 0.000 1.023 168 K CA -0.086 56.131 56.287 -0.117 0.000 1.094 168 K CB -0.186 32.242 32.500 -0.121 0.000 0.841 168 K HN -0.033 nan 8.250 nan 0.000 0.523 169 N N 1.895 120.466 118.700 -0.215 0.000 2.605 169 N HA 0.030 4.770 4.740 0.000 0.000 0.282 169 N C 0.544 175.927 175.510 -0.212 0.000 1.206 169 N CA -0.069 52.857 53.050 -0.207 0.000 1.074 169 N CB 0.605 38.909 38.487 -0.305 0.000 1.434 169 N HN 0.136 nan 8.380 nan 0.000 0.506 170 A N 3.751 126.497 122.820 -0.124 0.000 1.851 170 A HA -0.172 4.148 4.320 0.000 0.000 0.216 170 A C 1.835 179.316 177.584 -0.173 0.000 1.195 170 A CA 1.271 53.219 52.037 -0.148 0.000 0.622 170 A CB -0.317 18.607 19.000 -0.127 0.000 0.831 170 A HN 0.684 nan 8.150 nan 0.000 0.444 171 E N 0.209 120.349 120.200 -0.099 0.000 2.118 171 E HA -0.188 4.162 4.350 0.000 0.000 0.195 171 E C 2.108 178.694 176.600 -0.023 0.000 0.992 171 E CA 1.410 57.770 56.400 -0.067 0.000 0.804 171 E CB -1.000 28.744 29.700 0.074 0.000 0.741 171 E HN 0.506 nan 8.360 nan 0.000 0.458 172 S N 0.473 116.143 115.700 -0.051 0.000 2.383 172 S HA -0.128 4.342 4.470 0.000 0.000 0.227 172 S C 2.058 176.636 174.600 -0.037 0.000 1.026 172 S CA 1.176 59.377 58.200 0.002 0.000 0.981 172 S CB -0.031 63.117 63.200 -0.086 0.000 0.818 172 S HN 0.226 nan 8.310 nan 0.000 0.472 173 R N 0.169 120.521 120.500 -0.247 0.000 2.062 173 R HA 0.113 4.453 4.340 0.000 0.000 0.229 173 R C 2.314 178.369 176.300 -0.408 0.000 1.128 173 R CA 1.257 57.092 56.100 -0.442 0.000 0.960 173 R CB -0.344 29.636 30.300 -0.533 0.000 0.855 173 R HN 0.393 nan 8.270 nan 0.000 0.432 174 L N 0.755 121.816 121.223 -0.270 0.000 2.012 174 L HA -0.254 4.086 4.340 0.000 0.000 0.210 174 L C 2.027 178.866 176.870 -0.052 0.000 1.073 174 L CA 1.496 56.222 54.840 -0.190 0.000 0.748 174 L CB -0.586 41.294 42.059 -0.299 0.000 0.891 174 L HN 0.260 nan 8.230 nan 0.000 0.431 175 N N -0.660 118.056 118.700 0.028 0.000 2.069 175 N HA -0.206 4.534 4.740 0.000 0.000 0.191 175 N C 1.816 177.275 175.510 -0.085 0.000 1.031 175 N CA 1.490 54.540 53.050 0.000 0.000 0.852 175 N CB -0.366 38.112 38.487 -0.015 0.000 1.018 175 N HN 0.369 nan 8.380 nan 0.000 0.423 176 H N -1.251 117.774 119.070 -0.075 0.000 2.423 176 H HA 0.060 4.616 4.556 0.000 0.000 0.297 176 H C 1.653 177.016 175.328 0.058 0.000 1.075 176 H CA 1.299 57.341 56.048 -0.011 0.000 1.342 176 H CB -0.026 29.735 29.762 -0.001 0.000 1.395 176 H HN 0.523 nan 8.280 nan 0.000 0.530 177 H N -0.742 118.280 119.070 -0.080 0.000 2.372 177 H HA -0.005 4.551 4.556 0.000 0.000 0.301 177 H C 1.970 176.954 175.328 -0.574 0.000 1.065 177 H CA 0.651 56.511 56.048 -0.312 0.000 1.364 177 H CB 0.316 29.841 29.762 -0.393 0.000 1.406 177 H HN 0.183 nan 8.280 nan 0.000 0.521 178 L N 0.249 121.296 121.223 -0.294 0.000 1.976 178 L HA -0.147 4.193 4.340 0.000 0.000 0.209 178 L C 2.844 179.697 176.870 -0.028 0.000 1.071 178 L CA 1.128 55.802 54.840 -0.277 0.000 0.746 178 L CB -0.353 41.675 42.059 -0.052 0.000 0.890 178 L HN 0.278 nan 8.230 nan 0.000 0.432 179 A N -0.412 122.421 122.820 0.022 0.000 1.930 179 A HA 0.044 4.364 4.320 0.000 0.000 0.215 179 A C 2.207 179.866 177.584 0.125 0.000 1.176 179 A CA 1.393 53.489 52.037 0.100 0.000 0.632 179 A CB -0.921 18.075 19.000 -0.008 0.000 0.819 179 A HN 0.433 nan 8.150 nan 0.000 0.445 180 G N -0.397 108.457 108.800 0.091 0.000 2.655 180 G HA2 0.121 4.081 3.960 0.000 0.000 0.217 180 G HA3 0.121 4.081 3.960 0.000 0.000 0.217 180 G C 1.393 176.402 174.900 0.182 0.000 1.279 180 G CA 0.662 45.852 45.100 0.150 0.000 0.870 180 G HN 0.381 nan 8.290 nan 0.000 0.560 181 L N 0.124 121.437 121.223 0.150 0.000 2.034 181 L HA -0.072 4.268 4.340 0.000 0.000 0.217 181 L C 2.602 179.699 176.870 0.379 0.000 1.077 181 L CA 1.868 56.812 54.840 0.173 0.000 0.769 181 L CB -0.515 41.524 42.059 -0.034 0.000 0.890 181 L HN 0.366 nan 8.230 nan 0.000 0.435 182 F N -2.103 117.847 119.950 -0.000 0.000 2.222 182 F HA 0.103 4.630 4.527 0.000 0.000 0.285 182 F C 2.354 178.282 175.800 0.213 0.000 1.068 182 F CA 0.175 58.160 58.000 -0.025 0.000 1.265 182 F CB -1.064 37.660 39.000 -0.461 0.000 1.087 182 F HN 0.173 nan 8.300 nan 0.000 0.511 183 G N 0.754 109.837 108.800 0.471 0.000 2.587 183 G HA2 -0.244 3.716 3.960 0.000 0.000 0.217 183 G HA3 -0.244 3.716 3.960 0.000 0.000 0.217 183 G C 1.600 176.695 174.900 0.326 0.000 1.240 183 G CA 1.295 46.667 45.100 0.453 0.000 0.794 183 G HN 0.155 nan 8.290 nan 0.000 0.580 184 V N 0.859 120.929 119.914 0.259 0.000 2.490 184 V HA -0.155 3.965 4.120 0.000 0.000 0.250 184 V C 3.129 179.363 176.094 0.234 0.000 1.061 184 V CA 2.125 64.557 62.300 0.220 0.000 1.064 184 V CB -0.268 31.669 31.823 0.190 0.000 0.670 184 V HN 0.355 nan 8.190 nan 0.000 0.461 185 S N -0.576 115.277 115.700 0.256 0.000 2.355 185 S HA -0.195 4.275 4.470 0.000 0.000 0.222 185 S C 2.245 177.017 174.600 0.287 0.000 1.031 185 S CA 1.715 60.065 58.200 0.250 0.000 0.993 185 S CB -0.327 63.010 63.200 0.228 0.000 0.859 185 S HN 0.586 nan 8.310 nan 0.000 0.453 186 S N 1.179 117.073 115.700 0.324 0.000 2.368 186 S HA -0.075 4.395 4.470 0.000 0.000 0.225 186 S C 1.858 176.658 174.600 0.334 0.000 1.030 186 S CA 1.004 59.433 58.200 0.381 0.000 0.999 186 S CB -0.445 63.014 63.200 0.433 0.000 0.844 186 S HN 0.360 nan 8.310 nan 0.000 0.459 187 L N 1.944 123.323 121.223 0.260 0.000 2.046 187 L HA 0.092 4.432 4.340 0.000 0.000 0.208 187 L C 2.406 179.383 176.870 0.178 0.000 1.077 187 L CA 2.222 57.173 54.840 0.184 0.000 0.747 187 L CB -1.316 40.832 42.059 0.150 0.000 0.896 187 L HN 0.295 nan 8.230 nan 0.000 0.432 188 A N -1.000 121.949 122.820 0.215 0.000 1.933 188 A HA -0.269 4.051 4.320 0.000 0.000 0.218 188 A C 2.315 180.065 177.584 0.277 0.000 1.175 188 A CA 1.616 53.782 52.037 0.215 0.000 0.628 188 A CB -1.419 17.719 19.000 0.229 0.000 0.814 188 A HN 0.799 nan 8.150 nan 0.000 0.444 189 W N 0.608 121.960 121.300 0.087 0.000 2.388 189 W HA -0.140 4.520 4.660 0.000 0.000 0.294 189 W C 2.290 178.859 176.519 0.082 0.000 1.212 189 W CA 1.313 58.689 57.345 0.050 0.000 1.271 189 W CB -0.067 29.335 29.460 -0.097 0.000 1.126 189 W HN 0.444 nan 8.180 nan 0.000 0.535 190 A N 1.284 124.145 122.820 0.068 0.000 1.883 190 A HA -0.177 4.143 4.320 0.000 0.000 0.217 190 A C 2.207 179.747 177.584 -0.073 0.000 1.186 190 A CA 2.447 54.479 52.037 -0.009 0.000 0.624 190 A CB -1.723 17.327 19.000 0.083 0.000 0.822 190 A HN 0.381 nan 8.150 nan 0.000 0.444 191 G N -1.341 107.459 108.800 -0.000 0.000 2.469 191 G HA2 -0.337 3.623 3.960 0.000 0.000 0.219 191 G HA3 -0.337 3.623 3.960 0.000 0.000 0.219 191 G C 1.486 176.367 174.900 -0.032 0.000 1.150 191 G CA 1.631 46.748 45.100 0.029 0.000 0.763 191 G HN 0.819 nan 8.290 nan 0.000 0.561 192 H N 0.290 119.239 119.070 -0.202 0.000 2.299 192 H HA 0.122 4.678 4.556 0.000 0.000 0.302 192 H C 2.571 177.653 175.328 -0.409 0.000 1.078 192 H CA 1.341 57.197 56.048 -0.321 0.000 1.323 192 H CB -0.278 29.240 29.762 -0.406 0.000 1.381 192 H HN 0.239 nan 8.280 nan 0.000 0.498 193 L N -0.124 120.775 121.223 -0.540 0.000 2.043 193 L HA -0.209 4.131 4.340 0.000 0.000 0.212 193 L C 2.456 179.176 176.870 -0.250 0.000 1.075 193 L CA 1.517 56.112 54.840 -0.409 0.000 0.752 193 L CB -0.382 41.454 42.059 -0.372 0.000 0.891 193 L HN 0.409 nan 8.230 nan 0.000 0.432 194 I N -1.548 118.903 120.570 -0.199 0.000 2.286 194 I HA -0.263 3.907 4.170 0.000 0.000 0.245 194 I C 2.398 178.394 176.117 -0.202 0.000 1.104 194 I CA 1.036 62.233 61.300 -0.171 0.000 1.397 194 I CB -0.294 37.603 38.000 -0.171 0.000 1.072 194 I HN 0.289 nan 8.210 nan 0.000 0.417 195 H N -0.867 118.046 119.070 -0.260 0.000 2.535 195 H HA 0.100 4.656 4.556 0.000 0.000 0.273 195 H C 1.686 176.819 175.328 -0.324 0.000 0.983 195 H CA 0.999 56.905 56.048 -0.237 0.000 1.238 195 H CB 0.976 30.632 29.762 -0.177 0.000 1.412 195 H HN 0.207 nan 8.280 nan 0.000 0.562 196 V N -0.578 119.122 119.914 -0.357 0.000 3.278 196 V HA 0.116 4.236 4.120 0.000 0.000 0.215 196 V C 2.464 178.375 176.094 -0.305 0.000 1.287 196 V CA 0.793 62.833 62.300 -0.433 0.000 1.302 196 V CB -0.574 30.793 31.823 -0.759 0.000 1.228 196 V HN 0.282 nan 8.190 nan 0.000 0.523 197 A N 0.602 123.227 122.820 -0.326 0.000 1.884 197 A HA -0.235 4.086 4.320 0.000 0.000 0.219 197 A C 2.106 179.651 177.584 -0.064 0.000 1.197 197 A CA 2.515 54.499 52.037 -0.087 0.000 0.637 197 A CB -0.702 18.296 19.000 -0.002 0.000 0.827 197 A HN 0.494 nan 8.150 nan 0.000 0.450 198 I N -0.228 120.291 120.570 -0.085 0.000 2.142 198 I HA -0.165 4.005 4.170 0.000 0.000 0.240 198 I C -0.530 175.527 176.117 -0.099 0.000 1.078 198 I CA 1.497 62.762 61.300 -0.059 0.000 1.343 198 I CB -1.057 36.916 38.000 -0.046 0.000 1.046 198 I HN 0.208 nan 8.210 nan 0.000 0.405 199 P HA -0.186 nan 4.420 nan 0.000 0.215 199 P C 1.323 178.562 177.300 -0.102 0.000 1.157 199 P CA 1.409 64.440 63.100 -0.115 0.000 0.874 199 P CB -0.058 31.561 31.700 -0.135 0.000 0.790 200 E N -0.497 119.641 120.200 -0.104 0.000 2.204 200 E HA -0.106 4.244 4.350 0.000 0.000 0.194 200 E C 1.945 178.455 176.600 -0.150 0.000 0.989 200 E CA 1.488 57.844 56.400 -0.073 0.000 0.824 200 E CB -0.591 29.093 29.700 -0.027 0.000 0.756 200 E HN 0.372 nan 8.360 nan 0.000 0.477 201 S N 0.412 115.954 115.700 -0.263 0.000 2.522 201 S HA 0.005 4.475 4.470 0.000 0.000 0.227 201 S C 1.598 176.007 174.600 -0.318 0.000 0.986 201 S CA 0.210 58.022 58.200 -0.648 0.000 0.929 201 S CB -0.045 62.681 63.200 -0.791 0.000 0.769 201 S HN 0.118 nan 8.310 nan 0.000 0.529 202 R N 0.486 120.912 120.500 -0.122 0.000 2.552 202 R HA 0.353 4.693 4.340 0.000 0.000 0.314 202 R C 1.225 177.530 176.300 0.008 0.000 1.041 202 R CA 0.286 56.380 56.100 -0.010 0.000 1.076 202 R CB 0.159 30.413 30.300 -0.077 0.000 1.290 202 R HN 0.501 nan 8.270 nan 0.000 0.563 203 G N 1.497 110.294 108.800 -0.005 0.000 2.168 203 G HA2 -0.362 3.598 3.960 0.000 0.000 0.263 203 G HA3 -0.362 3.598 3.960 0.000 0.000 0.263 203 G C 0.005 174.919 174.900 0.024 0.000 0.977 203 G CA 0.393 45.507 45.100 0.023 0.000 0.659 203 G HN 0.453 nan 8.290 nan 0.000 0.533 204 Q N -0.044 119.757 119.800 0.001 0.000 2.325 204 Q HA 0.524 4.864 4.340 0.000 0.000 0.262 204 Q C -0.238 175.769 176.000 0.013 0.000 0.968 204 Q CA -0.960 54.846 55.803 0.005 0.000 0.877 204 Q CB 0.685 29.404 28.738 -0.033 0.000 1.253 204 Q HN 0.522 nan 8.270 nan 0.000 0.448 205 H N 3.075 122.133 119.070 -0.020 0.000 2.742 205 H HA 0.410 4.966 4.556 0.000 0.000 0.302 205 H C -1.489 173.820 175.328 -0.031 0.000 1.069 205 H CA -0.133 55.901 56.048 -0.022 0.000 1.446 205 H CB 0.676 30.435 29.762 -0.005 0.000 1.462 205 H HN 0.329 nan 8.280 nan 0.000 0.499 206 V N 5.931 125.379 119.914 -0.776 0.000 2.407 206 V HA 0.616 4.736 4.120 0.000 0.000 0.291 206 V C 0.653 176.290 176.094 -0.761 0.000 1.018 206 V CA 0.012 61.923 62.300 -0.649 0.000 0.842 206 V CB 1.308 32.948 31.823 -0.304 0.000 0.996 206 V HN 1.038 nan 8.190 nan 0.000 0.426 207 G N 1.979 110.414 108.800 -0.609 0.000 3.105 207 G HA2 0.476 4.436 3.960 0.000 0.000 0.277 207 G HA3 0.476 4.436 3.960 0.000 0.000 0.277 207 G C -0.365 174.403 174.900 -0.220 0.000 1.375 207 G CA -0.607 44.283 45.100 -0.350 0.000 0.962 207 G HN 0.635 nan 8.290 nan 0.000 0.541 208 W N 0.217 121.510 121.300 -0.012 0.000 2.374 208 W HA -0.019 4.641 4.660 0.000 0.000 0.288 208 W C 2.424 179.074 176.519 0.217 0.000 1.218 208 W CA 1.100 58.457 57.345 0.020 0.000 1.245 208 W CB 0.254 29.678 29.460 -0.059 0.000 1.126 208 W HN 0.655 nan 8.180 nan 0.000 0.545 209 D N 0.399 121.002 120.400 0.339 0.000 2.310 209 D HA -0.175 4.465 4.640 0.000 0.000 0.212 209 D C 1.075 177.493 176.300 0.197 0.000 0.965 209 D CA 1.696 55.847 54.000 0.251 0.000 0.879 209 D CB -0.629 40.298 40.800 0.212 0.000 0.921 209 D HN 0.394 nan 8.370 nan 0.000 0.510 210 N N -0.269 118.543 118.700 0.186 0.000 2.008 210 N HA -0.042 4.698 4.740 0.000 0.000 0.228 210 N C 1.463 177.020 175.510 0.078 0.000 1.375 210 N CA -0.084 53.025 53.050 0.098 0.000 0.856 210 N CB -1.363 37.154 38.487 0.051 0.000 1.096 210 N HN 0.250 nan 8.380 nan 0.000 0.489 211 F N 1.250 121.157 119.950 -0.073 0.000 2.225 211 F HA 0.018 4.545 4.527 0.000 0.000 0.302 211 F C 1.193 176.994 175.800 0.002 0.000 1.068 211 F CA 1.005 58.959 58.000 -0.076 0.000 1.327 211 F CB -0.250 38.645 39.000 -0.175 0.000 1.043 211 F HN 0.004 nan 8.300 nan 0.000 0.506 212 L N 0.623 121.403 121.223 -0.738 0.000 2.313 212 L HA -0.042 4.298 4.340 0.000 0.000 0.214 212 L C 2.082 178.794 176.870 -0.262 0.000 1.119 212 L CA 1.049 55.487 54.840 -0.670 0.000 0.809 212 L CB -0.468 41.255 42.059 -0.559 0.000 0.933 212 L HN 0.461 nan 8.230 nan 0.000 0.449 213 S N -1.604 114.007 115.700 -0.147 0.000 2.561 213 S HA 0.112 4.582 4.470 0.000 0.000 0.245 213 S C 0.408 174.979 174.600 -0.048 0.000 1.001 213 S CA -0.246 57.909 58.200 -0.074 0.000 1.002 213 S CB -0.184 62.993 63.200 -0.040 0.000 0.805 213 S HN 0.305 nan 8.310 nan 0.000 0.458 214 T N -0.233 114.290 114.554 -0.051 0.000 3.109 214 T HA 0.573 4.923 4.350 0.000 0.000 0.311 214 T C -0.499 174.176 174.700 -0.042 0.000 1.011 214 T CA -0.704 61.372 62.100 -0.039 0.000 1.026 214 T CB 0.933 69.778 68.868 -0.038 0.000 1.047 214 T HN 0.256 nan 8.240 nan 0.000 0.448 215 M N 4.482 124.053 119.600 -0.049 0.000 2.242 215 M HA 0.286 4.766 4.480 0.000 0.000 0.344 215 M C -1.468 174.756 176.300 -0.126 0.000 1.140 215 M CA -1.841 53.419 55.300 -0.067 0.000 1.160 215 M CB 1.024 33.610 32.600 -0.024 0.000 1.491 215 M HN 0.465 nan 8.290 nan 0.000 0.459 216 P HA -0.024 nan 4.420 nan 0.000 0.231 216 P C -0.423 176.808 177.300 -0.116 0.000 1.168 216 P CA 1.173 64.104 63.100 -0.281 0.000 0.779 216 P CB 0.248 31.604 31.700 -0.573 0.000 0.844 217 H N -1.940 117.048 119.070 -0.135 0.000 2.865 217 H HA 0.183 4.739 4.556 0.000 0.000 0.362 217 H C -1.969 173.367 175.328 0.013 0.000 1.114 217 H CA -1.852 54.176 56.048 -0.033 0.000 1.208 217 H CB 2.211 31.999 29.762 0.042 0.000 1.727 217 H HN -0.302 nan 8.280 nan 0.000 0.534 218 P HA -0.211 nan 4.420 nan 0.000 0.225 218 P C -0.166 177.163 177.300 0.048 0.000 1.154 218 P CA 2.439 65.459 63.100 -0.134 0.000 0.933 218 P CB 0.277 31.837 31.700 -0.233 0.000 0.790 219 A N -1.213 121.734 122.820 0.211 0.000 3.297 219 A HA 0.564 4.884 4.320 0.000 0.000 0.304 219 A C 0.498 178.255 177.584 0.289 0.000 0.963 219 A CA -0.165 51.988 52.037 0.193 0.000 0.935 219 A CB -0.124 18.957 19.000 0.136 0.000 1.093 219 A HN 0.186 nan 8.150 nan 0.000 0.480 220 G N -0.936 108.057 108.800 0.322 0.000 2.507 220 G HA2 0.520 4.480 3.960 0.000 0.000 0.271 220 G HA3 0.520 4.480 3.960 0.000 0.000 0.271 220 G C 0.491 175.575 174.900 0.306 0.000 1.189 220 G CA -0.029 45.297 45.100 0.376 0.000 0.859 220 G HN 1.097 nan 8.290 nan 0.000 0.542 221 L N -0.476 120.998 121.223 0.417 0.000 3.211 221 L HA -0.249 4.091 4.340 0.000 0.000 0.417 221 L C 2.461 179.679 176.870 0.580 0.000 0.707 221 L CA 2.413 57.517 54.840 0.441 0.000 2.938 221 L CB -1.607 40.656 42.059 0.340 0.000 0.825 221 L HN 0.790 nan 8.230 nan 0.000 0.704 222 A N -0.621 122.438 122.820 0.398 0.000 1.854 222 A HA 0.068 4.388 4.320 0.000 0.000 0.214 222 A C -0.311 177.441 177.584 0.280 0.000 1.192 222 A CA 1.835 54.066 52.037 0.323 0.000 0.611 222 A CB -1.409 17.703 19.000 0.187 0.000 0.832 222 A HN 0.433 nan 8.150 nan 0.000 0.442 223 P HA -0.148 nan 4.420 nan 0.000 0.219 223 P C 1.320 178.748 177.300 0.213 0.000 1.146 223 P CA 0.873 63.980 63.100 0.012 0.000 0.808 223 P CB -0.120 31.345 31.700 -0.391 0.000 0.779 224 F N -0.472 119.616 119.950 0.230 0.000 2.075 224 F HA -0.161 4.366 4.527 0.000 0.000 0.297 224 F C 1.872 177.785 175.800 0.189 0.000 1.113 224 F CA 1.609 59.750 58.000 0.235 0.000 1.218 224 F CB -0.927 38.040 39.000 -0.055 0.000 0.984 224 F HN -0.202 nan 8.300 nan 0.000 0.472 225 F N 0.346 120.352 119.950 0.093 0.000 2.187 225 F HA -0.069 4.458 4.527 0.000 0.000 0.295 225 F C 2.638 178.406 175.800 -0.054 0.000 1.091 225 F CA 1.490 59.454 58.000 -0.060 0.000 1.308 225 F CB -1.298 37.751 39.000 0.083 0.000 1.030 225 F HN 0.013 nan 8.300 nan 0.000 0.487 226 T N -2.427 112.225 114.554 0.163 0.000 3.163 226 T HA 0.252 4.602 4.350 0.000 0.000 0.260 226 T C 1.819 176.483 174.700 -0.059 0.000 1.156 226 T CA 0.638 62.768 62.100 0.051 0.000 1.072 226 T CB -0.583 68.319 68.868 0.056 0.000 0.937 226 T HN 0.531 nan 8.240 nan 0.000 0.528 227 G N 1.782 110.504 108.800 -0.130 0.000 2.184 227 G HA2 -0.301 3.659 3.960 0.000 0.000 0.264 227 G HA3 -0.301 3.659 3.960 0.000 0.000 0.264 227 G C 0.150 174.859 174.900 -0.318 0.000 0.975 227 G CA 0.041 44.903 45.100 -0.396 0.000 0.642 227 G HN 0.641 nan 8.290 nan 0.000 0.536 228 N N 0.909 119.559 118.700 -0.083 0.000 3.254 228 N HA 0.296 5.036 4.740 0.000 0.000 0.308 228 N C 0.975 176.504 175.510 0.033 0.000 1.281 228 N CA -0.341 52.676 53.050 -0.056 0.000 1.212 228 N CB -0.027 38.418 38.487 -0.071 0.000 1.478 228 N HN 0.456 nan 8.380 nan 0.000 0.548 229 W N 0.216 121.432 121.300 -0.140 0.000 2.392 229 W HA 0.051 4.711 4.660 0.000 0.000 0.279 229 W C 2.072 178.515 176.519 -0.127 0.000 1.225 229 W CA 0.318 57.608 57.345 -0.091 0.000 1.233 229 W CB -0.996 28.485 29.460 0.034 0.000 1.122 229 W HN 0.367 nan 8.180 nan 0.000 0.561 230 G N 0.063 108.922 108.800 0.098 0.000 2.498 230 G HA2 -0.124 3.836 3.960 0.000 0.000 0.219 230 G HA3 -0.124 3.836 3.960 0.000 0.000 0.219 230 G C 1.398 176.270 174.900 -0.048 0.000 1.119 230 G CA 1.136 46.256 45.100 0.033 0.000 0.766 230 G HN 0.155 nan 8.290 nan 0.000 0.552 231 V N -0.444 119.366 119.914 -0.174 0.000 2.626 231 V HA -0.158 3.962 4.120 0.000 0.000 0.252 231 V C 2.104 178.064 176.094 -0.224 0.000 1.067 231 V CA 1.046 63.218 62.300 -0.214 0.000 1.081 231 V CB -0.915 30.712 31.823 -0.328 0.000 0.686 231 V HN 0.561 nan 8.190 nan 0.000 0.468 232 Y N 0.080 120.264 120.300 -0.193 0.000 2.561 232 Y HA 0.183 4.733 4.550 0.000 0.000 0.291 232 Y C 2.262 178.081 175.900 -0.134 0.000 1.141 232 Y CA 0.283 58.197 58.100 -0.310 0.000 1.303 232 Y CB -0.008 38.271 38.460 -0.301 0.000 1.015 232 Y HN 0.263 nan 8.280 nan 0.000 0.547 233 A N -0.702 122.151 122.820 0.054 0.000 2.387 233 A HA 0.075 4.395 4.320 0.000 0.000 0.234 233 A C 1.320 178.926 177.584 0.037 0.000 1.253 233 A CA -0.249 51.807 52.037 0.032 0.000 0.894 233 A CB -0.042 18.972 19.000 0.023 0.000 0.963 233 A HN 0.135 nan 8.150 nan 0.000 0.508 234 Q N 1.986 121.824 119.800 0.063 0.000 0.846 234 Q HA -0.141 4.199 4.340 0.000 0.000 0.919 234 Q C 0.361 176.380 176.000 0.033 0.000 0.858 234 Q CA 0.953 56.791 55.803 0.058 0.000 0.914 234 Q CB -0.580 28.222 28.738 0.107 0.000 1.188 234 Q HN 0.797 nan 8.270 nan 0.000 0.174 235 N N 1.794 120.512 118.700 0.030 0.000 2.427 235 N HA 0.108 4.848 4.740 0.000 0.000 0.269 235 N C -2.663 172.836 175.510 -0.018 0.000 1.235 235 N CA -0.897 52.151 53.050 -0.003 0.000 0.934 235 N CB 0.397 38.879 38.487 -0.008 0.000 1.121 235 N HN 0.015 nan 8.380 nan 0.000 0.480 236 P HA 0.162 nan 4.420 nan 0.000 0.302 236 P C -0.701 176.554 177.300 -0.076 0.000 1.301 236 P CA -0.182 62.862 63.100 -0.092 0.000 0.745 236 P CB 0.425 32.000 31.700 -0.207 0.000 1.331 237 D N -1.656 118.707 120.400 -0.062 0.000 2.210 237 D HA 0.313 4.953 4.640 0.000 0.000 0.249 237 D C 0.118 176.458 176.300 0.065 0.000 1.062 237 D CA -0.173 53.831 54.000 0.006 0.000 0.891 237 D CB 0.231 41.109 40.800 0.130 0.000 1.186 237 D HN 0.313 nan 8.370 nan 0.000 0.432 238 T N -1.445 113.164 114.554 0.091 0.000 2.828 238 T HA 0.368 4.718 4.350 0.000 0.000 0.290 238 T C 1.221 176.042 174.700 0.202 0.000 1.019 238 T CA -0.737 61.431 62.100 0.113 0.000 1.031 238 T CB 1.376 70.295 68.868 0.086 0.000 1.001 238 T HN 0.330 nan 8.240 nan 0.000 0.531 239 A N 1.169 124.094 122.820 0.175 0.000 2.259 239 A HA 0.091 4.411 4.320 0.000 0.000 0.212 239 A C 2.110 179.763 177.584 0.115 0.000 1.178 239 A CA 1.092 53.237 52.037 0.182 0.000 0.734 239 A CB -1.014 18.078 19.000 0.153 0.000 0.774 239 A HN 1.151 nan 8.150 nan 0.000 0.481 240 S N -1.763 114.015 115.700 0.129 0.000 2.650 240 S HA 0.141 4.611 4.470 0.000 0.000 0.240 240 S C 0.341 175.050 174.600 0.181 0.000 1.007 240 S CA -0.460 57.814 58.200 0.123 0.000 0.984 240 S CB -0.718 62.544 63.200 0.103 0.000 0.910 240 S HN 0.677 nan 8.310 nan 0.000 0.509 241 H N 1.165 120.290 119.070 0.091 0.000 2.928 241 H HA 0.304 4.860 4.556 0.000 0.000 0.338 241 H C -1.033 174.452 175.328 0.262 0.000 1.047 241 H CA 0.039 56.185 56.048 0.163 0.000 1.435 241 H CB 0.660 30.555 29.762 0.221 0.000 1.428 241 H HN 0.095 nan 8.280 nan 0.000 0.590 242 V N 7.912 127.830 119.914 0.006 0.000 2.333 242 V HA 0.006 4.126 4.120 0.000 0.000 0.274 242 V C 0.008 175.934 176.094 -0.279 0.000 1.028 242 V CA -0.447 61.844 62.300 -0.016 0.000 0.851 242 V CB 0.187 32.063 31.823 0.087 0.000 1.000 242 V HN 0.575 nan 8.190 nan 0.000 0.456 243 F N 4.648 124.413 119.950 -0.310 0.000 2.623 243 F HA 0.410 4.937 4.527 0.000 0.000 0.383 243 F C 1.411 177.232 175.800 0.035 0.000 1.077 243 F CA 1.966 59.819 58.000 -0.245 0.000 1.268 243 F CB 0.649 39.581 39.000 -0.114 0.000 1.053 243 F HN 0.788 nan 8.300 nan 0.000 0.571 244 G N 2.685 111.285 108.800 -0.335 0.000 2.195 244 G HA2 -0.237 3.723 3.960 0.000 0.000 0.246 244 G HA3 -0.237 3.723 3.960 0.000 0.000 0.246 244 G C 0.159 175.074 174.900 0.025 0.000 0.984 244 G CA 0.297 45.355 45.100 -0.069 0.000 0.633 244 G HN 1.138 nan 8.290 nan 0.000 0.525 245 T N -3.265 111.326 114.554 0.063 0.000 2.926 245 T HA 0.818 5.168 4.350 0.000 0.000 0.289 245 T C 1.277 176.080 174.700 0.171 0.000 1.054 245 T CA 0.348 62.510 62.100 0.104 0.000 1.015 245 T CB 1.807 70.734 68.868 0.098 0.000 1.167 245 T HN 1.344 nan 8.240 nan 0.000 0.526 246 A N -0.070 122.817 122.820 0.112 0.000 2.119 246 A HA 0.134 4.454 4.320 0.000 0.000 0.216 246 A C 1.164 178.820 177.584 0.121 0.000 1.152 246 A CA 0.284 52.374 52.037 0.088 0.000 0.708 246 A CB -0.842 18.185 19.000 0.046 0.000 0.805 246 A HN 0.860 nan 8.150 nan 0.000 0.460 247 Q N -0.499 119.395 119.800 0.158 0.000 2.242 247 Q HA 0.350 4.690 4.340 0.000 0.000 0.284 247 Q C 1.035 177.188 176.000 0.255 0.000 1.130 247 Q CA 0.547 56.448 55.803 0.164 0.000 0.940 247 Q CB -0.109 28.711 28.738 0.137 0.000 1.146 247 Q HN 0.720 nan 8.270 nan 0.000 0.388 248 G N 1.623 110.519 108.800 0.160 0.000 2.179 248 G HA2 -0.315 3.645 3.960 0.000 0.000 0.260 248 G HA3 -0.315 3.645 3.960 0.000 0.000 0.260 248 G C 0.287 175.211 174.900 0.040 0.000 0.977 248 G CA -0.150 45.041 45.100 0.153 0.000 0.641 248 G HN 0.872 nan 8.290 nan 0.000 0.533 249 A N 0.134 122.921 122.820 -0.056 0.000 2.425 249 A HA 0.751 5.071 4.320 0.000 0.000 0.249 249 A C 1.183 178.677 177.584 -0.150 0.000 1.084 249 A CA 1.221 53.085 52.037 -0.288 0.000 0.781 249 A CB 0.588 19.460 19.000 -0.212 0.000 1.019 249 A HN 1.647 nan 8.150 nan 0.000 0.490 250 G N -0.598 108.107 108.800 -0.158 0.000 2.782 250 G HA2 0.475 4.435 3.960 0.000 0.000 0.201 250 G HA3 0.475 4.435 3.960 0.000 0.000 0.201 250 G C 0.668 175.517 174.900 -0.084 0.000 1.374 250 G CA 0.577 45.625 45.100 -0.086 0.000 1.039 250 G HN 1.349 nan 8.290 nan 0.000 0.576 251 T N -3.719 110.801 114.554 -0.057 0.000 3.130 251 T HA 0.552 4.902 4.350 0.000 0.000 0.288 251 T C 0.896 175.612 174.700 0.027 0.000 0.936 251 T CA 0.887 62.935 62.100 -0.085 0.000 0.897 251 T CB -0.045 68.710 68.868 -0.189 0.000 1.178 251 T HN 0.982 nan 8.240 nan 0.000 0.543 252 A N 1.990 124.856 122.820 0.077 0.000 2.483 252 A HA 0.633 4.953 4.320 0.000 0.000 0.238 252 A C 1.234 178.883 177.584 0.108 0.000 1.070 252 A CA -0.034 52.087 52.037 0.141 0.000 0.770 252 A CB -0.252 18.783 19.000 0.058 0.000 1.008 252 A HN 0.891 nan 8.150 nan 0.000 0.497 253 I N -1.776 118.852 120.570 0.096 0.000 4.456 253 I HA 0.445 4.615 4.170 0.000 0.000 0.329 253 I C -0.554 175.529 176.117 -0.057 0.000 1.313 253 I CA 0.035 61.331 61.300 -0.007 0.000 1.205 253 I CB 0.136 38.081 38.000 -0.092 0.000 1.179 253 I HN 0.321 nan 8.210 nan 0.000 0.419 254 L N 2.788 123.971 121.223 -0.067 0.000 2.482 254 L HA 0.586 4.926 4.340 0.000 0.000 0.269 254 L C -0.461 176.320 176.870 -0.149 0.000 0.967 254 L CA -0.169 54.577 54.840 -0.157 0.000 0.851 254 L CB 2.097 43.968 42.059 -0.314 0.000 1.242 254 L HN 0.295 nan 8.230 nan 0.000 0.404 255 T N -1.352 113.173 114.554 -0.047 0.000 2.696 255 T HA 0.587 4.937 4.350 0.000 0.000 0.291 255 T C -0.738 174.135 174.700 0.290 0.000 1.095 255 T CA -0.551 61.588 62.100 0.066 0.000 1.026 255 T CB 2.018 70.905 68.868 0.032 0.000 1.390 255 T HN 0.354 nan 8.240 nan 0.000 0.513 256 F N 0.912 120.965 119.950 0.172 0.000 2.514 256 F HA 0.332 4.859 4.527 0.000 0.000 0.374 256 F C 0.731 176.652 175.800 0.202 0.000 1.532 256 F CA -0.844 57.315 58.000 0.265 0.000 1.082 256 F CB 0.169 39.397 39.000 0.381 0.000 1.610 256 F HN 0.410 nan 8.300 nan 0.000 0.531 257 L N 1.372 122.789 121.223 0.324 0.000 2.027 257 L HA 0.176 4.516 4.340 0.000 0.000 0.206 257 L C 1.402 178.467 176.870 0.325 0.000 1.074 257 L CA 1.337 56.255 54.840 0.129 0.000 0.745 257 L CB -1.001 40.840 42.059 -0.364 0.000 0.898 257 L HN 0.509 nan 8.230 nan 0.000 0.433 258 G N -1.242 107.832 108.800 0.457 0.000 2.781 258 G HA2 0.219 4.179 3.960 0.000 0.000 0.683 258 G HA3 0.219 4.179 3.960 0.000 0.000 0.683 258 G C 0.236 175.379 174.900 0.405 0.000 1.390 258 G CA -0.440 44.947 45.100 0.479 0.000 0.850 258 G HN 0.843 nan 8.290 nan 0.000 0.557 259 G N -0.957 107.958 108.800 0.192 0.000 2.601 259 G HA2 0.254 4.214 3.960 0.000 0.000 0.252 259 G HA3 0.254 4.214 3.960 0.000 0.000 0.252 259 G C -0.042 174.694 174.900 -0.274 0.000 1.294 259 G CA 0.582 45.563 45.100 -0.197 0.000 0.912 259 G HN 1.869 nan 8.290 nan 0.000 0.574 260 F N -0.873 119.187 119.950 0.184 0.000 2.577 260 F HA 0.567 5.094 4.527 0.000 0.000 0.318 260 F C 0.478 176.015 175.800 -0.440 0.000 1.065 260 F CA -0.595 57.327 58.000 -0.129 0.000 0.929 260 F CB 1.819 40.757 39.000 -0.103 0.000 1.237 260 F HN 0.791 nan 8.300 nan 0.000 0.468 261 H N 4.599 123.080 119.070 -0.981 0.000 3.004 261 H HA 0.067 4.623 4.556 0.000 0.000 0.316 261 H C -1.592 173.490 175.328 -0.409 0.000 1.014 261 H CA -1.212 54.053 56.048 -1.306 0.000 1.454 261 H CB 1.094 30.266 29.762 -0.985 0.000 1.472 261 H HN 0.236 nan 8.280 nan 0.000 0.571 262 P HA -0.230 nan 4.420 nan 0.000 0.219 262 P C 1.150 178.486 177.300 0.061 0.000 1.146 262 P CA 1.290 64.397 63.100 0.012 0.000 0.808 262 P CB 0.332 32.059 31.700 0.045 0.000 0.779 263 Q N 0.194 120.114 119.800 0.201 0.000 2.036 263 Q HA -0.065 4.275 4.340 0.000 0.000 0.195 263 Q C 2.216 178.148 176.000 -0.113 0.000 0.971 263 Q CA 2.188 58.086 55.803 0.158 0.000 0.826 263 Q CB -0.476 28.427 28.738 0.275 0.000 0.896 263 Q HN 0.239 nan 8.270 nan 0.000 0.449 264 T N -1.868 112.450 114.554 -0.392 0.000 3.007 264 T HA -0.054 4.296 4.350 0.000 0.000 0.270 264 T C 0.174 174.518 174.700 -0.592 0.000 1.107 264 T CA 1.041 62.515 62.100 -1.044 0.000 1.118 264 T CB -0.182 67.921 68.868 -1.274 0.000 0.889 264 T HN 0.542 nan 8.240 nan 0.000 0.506 265 E N 0.893 120.895 120.200 -0.330 0.000 2.586 265 E HA -0.176 4.174 4.350 0.000 0.000 0.259 265 E C -0.125 176.172 176.600 -0.506 0.000 1.107 265 E CA 0.445 56.641 56.400 -0.340 0.000 0.754 265 E CB -2.119 27.406 29.700 -0.293 0.000 1.335 265 E HN 0.878 nan 8.360 nan 0.000 0.411 266 S N -1.215 114.299 115.700 -0.310 0.000 2.651 266 S HA 0.706 5.176 4.470 0.000 0.000 0.279 266 S C 0.200 174.872 174.600 0.119 0.000 1.148 266 S CA -1.223 56.892 58.200 -0.142 0.000 0.837 266 S CB 1.567 64.671 63.200 -0.160 0.000 1.138 266 S HN 0.182 nan 8.310 nan 0.000 0.478 267 L N 0.306 121.682 121.223 0.255 0.000 2.516 267 L HA 0.079 4.419 4.340 0.000 0.000 0.288 267 L C -0.241 176.729 176.870 0.167 0.000 1.246 267 L CA -0.062 54.922 54.840 0.241 0.000 0.844 267 L CB -0.071 42.115 42.059 0.212 0.000 1.106 267 L HN 0.713 nan 8.230 nan 0.000 0.509 268 W N 1.977 123.435 121.300 0.262 0.000 2.238 268 W HA 0.233 4.893 4.660 0.000 0.000 0.321 268 W C 1.180 177.846 176.519 0.244 0.000 1.293 268 W CA -0.434 57.081 57.345 0.283 0.000 1.204 268 W CB 0.262 29.877 29.460 0.259 0.000 1.167 268 W HN 0.427 nan 8.180 nan 0.000 0.553 269 L N 1.854 123.372 121.223 0.492 0.000 2.042 269 L HA -0.261 4.079 4.340 0.000 0.000 0.210 269 L C 2.622 179.671 176.870 0.299 0.000 1.076 269 L CA 2.053 57.111 54.840 0.363 0.000 0.749 269 L CB -0.845 41.412 42.059 0.331 0.000 0.893 269 L HN 0.692 nan 8.230 nan 0.000 0.432 270 T N -4.420 110.319 114.554 0.308 0.000 2.833 270 T HA -0.190 4.160 4.350 0.000 0.000 0.269 270 T C 1.437 176.259 174.700 0.204 0.000 1.054 270 T CA 1.405 63.624 62.100 0.199 0.000 1.135 270 T CB -0.354 68.600 68.868 0.142 0.000 0.869 270 T HN 0.207 nan 8.240 nan 0.000 0.466 271 D N 1.034 121.598 120.400 0.273 0.000 2.117 271 D HA 0.095 4.735 4.640 0.000 0.000 0.198 271 D C 2.099 178.503 176.300 0.173 0.000 0.982 271 D CA 0.961 55.090 54.000 0.215 0.000 0.828 271 D CB -0.331 40.643 40.800 0.290 0.000 0.967 271 D HN 0.404 nan 8.370 nan 0.000 0.464 272 M N 0.083 119.819 119.600 0.228 0.000 2.175 272 M HA -0.071 4.409 4.480 0.000 0.000 0.264 272 M C 2.181 178.688 176.300 0.345 0.000 1.063 272 M CA 1.115 56.565 55.300 0.249 0.000 1.119 272 M CB -0.058 32.727 32.600 0.308 0.000 1.377 272 M HN -0.015 nan 8.290 nan 0.000 0.415 273 A N -0.730 122.245 122.820 0.259 0.000 1.873 273 A HA -0.215 4.105 4.320 0.000 0.000 0.215 273 A C 1.925 179.633 177.584 0.206 0.000 1.186 273 A CA 1.637 53.795 52.037 0.203 0.000 0.616 273 A CB -1.220 17.826 19.000 0.076 0.000 0.823 273 A HN 0.585 nan 8.150 nan 0.000 0.442 274 H N -1.910 117.180 119.070 0.033 0.000 2.353 274 H HA -0.247 4.309 4.556 0.000 0.000 0.300 274 H C 2.133 177.415 175.328 -0.077 0.000 1.090 274 H CA 1.793 57.813 56.048 -0.046 0.000 1.327 274 H CB -0.089 29.620 29.762 -0.089 0.000 1.383 274 H HN 0.787 nan 8.280 nan 0.000 0.508 275 H N -0.415 118.551 119.070 -0.174 0.000 2.290 275 H HA -0.176 4.380 4.556 0.000 0.000 0.298 275 H C 2.083 177.253 175.328 -0.263 0.000 1.087 275 H CA 2.451 58.303 56.048 -0.326 0.000 1.291 275 H CB -0.291 29.265 29.762 -0.344 0.000 1.369 275 H HN 0.472 nan 8.280 nan 0.000 0.492 276 H N -1.156 117.956 119.070 0.070 0.000 2.389 276 H HA -0.061 4.495 4.556 0.000 0.000 0.299 276 H C 2.112 177.428 175.328 -0.020 0.000 1.081 276 H CA 1.083 57.173 56.048 0.069 0.000 1.345 276 H CB -0.024 29.921 29.762 0.304 0.000 1.393 276 H HN 0.303 nan 8.280 nan 0.000 0.520 277 L N 0.617 121.887 121.223 0.078 0.000 2.056 277 L HA -0.063 4.277 4.340 0.000 0.000 0.207 277 L C 2.326 179.161 176.870 -0.058 0.000 1.078 277 L CA 1.745 56.599 54.840 0.025 0.000 0.749 277 L CB -0.948 41.126 42.059 0.025 0.000 0.901 277 L HN 0.251 nan 8.230 nan 0.000 0.433 278 A N -0.353 122.372 122.820 -0.159 0.000 1.858 278 A HA -0.168 4.152 4.320 0.000 0.000 0.216 278 A C 2.203 179.622 177.584 -0.276 0.000 1.190 278 A CA 1.815 53.720 52.037 -0.220 0.000 0.617 278 A CB -0.805 17.980 19.000 -0.358 0.000 0.827 278 A HN 0.395 nan 8.150 nan 0.000 0.443 279 I N 0.125 120.446 120.570 -0.414 0.000 2.208 279 I HA -0.282 3.888 4.170 0.000 0.000 0.245 279 I C 2.934 178.788 176.117 -0.438 0.000 1.097 279 I CA 1.464 62.430 61.300 -0.556 0.000 1.363 279 I CB -1.444 36.199 38.000 -0.596 0.000 1.051 279 I HN 0.390 nan 8.210 nan 0.000 0.413 280 A N 0.379 123.130 122.820 -0.115 0.000 1.883 280 A HA -0.196 4.124 4.320 0.000 0.000 0.217 280 A C 2.520 180.133 177.584 0.047 0.000 1.186 280 A CA 2.206 54.288 52.037 0.074 0.000 0.624 280 A CB -1.075 17.999 19.000 0.123 0.000 0.822 280 A HN 0.253 nan 8.150 nan 0.000 0.444 281 V N 0.164 120.072 119.914 -0.010 0.000 2.287 281 V HA -0.256 3.864 4.120 0.000 0.000 0.248 281 V C 2.551 178.645 176.094 0.000 0.000 1.053 281 V CA 1.804 64.115 62.300 0.018 0.000 1.027 281 V CB -0.755 31.076 31.823 0.015 0.000 0.646 281 V HN 0.524 nan 8.190 nan 0.000 0.447 282 L N -0.974 120.177 121.223 -0.121 0.000 2.013 282 L HA -0.187 4.153 4.340 0.000 0.000 0.212 282 L C 2.453 179.335 176.870 0.020 0.000 1.073 282 L CA 2.345 57.105 54.840 -0.135 0.000 0.753 282 L CB -1.179 40.675 42.059 -0.342 0.000 0.890 282 L HN 0.298 nan 8.230 nan 0.000 0.432 283 F N -0.260 119.757 119.950 0.112 0.000 2.186 283 F HA -0.113 4.414 4.527 0.000 0.000 0.299 283 F C 2.605 178.492 175.800 0.145 0.000 1.090 283 F CA 0.437 58.527 58.000 0.150 0.000 1.307 283 F CB -0.912 38.216 39.000 0.214 0.000 1.019 283 F HN 0.013 nan 8.300 nan 0.000 0.489 284 I N -0.949 119.814 120.570 0.322 0.000 2.286 284 I HA -0.240 3.930 4.170 0.000 0.000 0.248 284 I C 2.276 178.595 176.117 0.336 0.000 1.115 284 I CA 0.763 62.235 61.300 0.287 0.000 1.392 284 I CB -0.528 37.611 38.000 0.232 0.000 1.065 284 I HN -0.065 nan 8.210 nan 0.000 0.418 285 V N 1.104 121.152 119.914 0.224 0.000 2.270 285 V HA -0.253 3.867 4.120 0.000 0.000 0.245 285 V C 2.735 178.954 176.094 0.208 0.000 1.043 285 V CA 1.981 64.384 62.300 0.171 0.000 1.014 285 V CB -0.846 31.024 31.823 0.078 0.000 0.645 285 V HN 0.483 nan 8.190 nan 0.000 0.447 286 A N 0.425 123.360 122.820 0.191 0.000 2.024 286 A HA -0.099 4.221 4.320 0.000 0.000 0.220 286 A C 2.176 179.833 177.584 0.123 0.000 1.164 286 A CA 1.686 53.813 52.037 0.151 0.000 0.643 286 A CB -0.966 18.170 19.000 0.226 0.000 0.806 286 A HN 0.587 nan 8.150 nan 0.000 0.451 287 G N -2.286 106.605 108.800 0.152 0.000 2.956 287 G HA2 0.090 4.050 3.960 0.000 0.000 0.207 287 G HA3 0.090 4.050 3.960 0.000 0.000 0.207 287 G C 0.529 175.326 174.900 -0.172 0.000 1.162 287 G CA 0.506 45.614 45.100 0.014 0.000 0.796 287 G HN 0.706 nan 8.290 nan 0.000 0.527 288 H N -1.203 117.861 119.070 -0.010 0.000 2.492 288 H HA 0.376 4.933 4.556 0.000 0.000 0.264 288 H C 1.502 176.780 175.328 -0.084 0.000 1.150 288 H CA -0.277 55.751 56.048 -0.032 0.000 0.962 288 H CB 0.756 30.505 29.762 -0.022 0.000 1.766 288 H HN 0.275 nan 8.280 nan 0.000 0.589 289 M N -0.548 118.964 119.600 -0.146 0.000 2.552 289 M HA 0.163 4.643 4.480 0.000 0.000 0.264 289 M C -0.471 175.527 176.300 -0.503 0.000 1.159 289 M CA 0.747 55.789 55.300 -0.430 0.000 1.176 289 M CB 0.623 32.725 32.600 -0.830 0.000 1.327 289 M HN 0.089 nan 8.290 nan 0.000 0.481 290 Y N 0.770 121.099 120.300 0.048 0.000 2.335 290 Y HA 0.382 4.932 4.550 0.000 0.000 0.323 290 Y C 0.205 176.157 175.900 0.087 0.000 1.224 290 Y CA -0.846 57.298 58.100 0.074 0.000 1.241 290 Y CB 0.408 38.884 38.460 0.026 0.000 1.235 290 Y HN 0.005 nan 8.280 nan 0.000 0.492 291 R N 1.649 122.292 120.500 0.238 0.000 2.347 291 R HA 0.194 4.534 4.340 0.000 0.000 0.304 291 R C 0.041 176.428 176.300 0.145 0.000 1.072 291 R CA 0.342 56.539 56.100 0.163 0.000 0.980 291 R CB 0.469 30.834 30.300 0.109 0.000 0.986 291 R HN 1.044 nan 8.270 nan 0.000 0.448 292 T N 0.275 114.930 114.554 0.167 0.000 2.121 292 T HA 0.065 4.415 4.350 0.000 0.000 0.197 292 T C 0.562 175.290 174.700 0.047 0.000 0.822 292 T CA -0.581 61.597 62.100 0.131 0.000 1.195 292 T CB 0.150 69.149 68.868 0.218 0.000 3.009 292 T HN 0.628 nan 8.240 nan 0.000 0.449 293 Q N 0.713 120.460 119.800 -0.089 0.000 2.296 293 Q HA 0.376 4.716 4.340 0.000 0.000 0.273 293 Q C -0.915 174.701 176.000 -0.640 0.000 0.900 293 Q CA -0.279 55.316 55.803 -0.347 0.000 0.993 293 Q CB -0.681 27.805 28.738 -0.421 0.000 1.132 293 Q HN 0.630 nan 8.270 nan 0.000 0.439 294 F N -0.250 119.721 119.950 0.034 0.000 2.815 294 F HA 0.384 4.911 4.527 0.000 0.000 0.323 294 F C 1.216 177.031 175.800 0.026 0.000 1.151 294 F CA -0.597 57.424 58.000 0.034 0.000 1.191 294 F CB 1.066 40.092 39.000 0.043 0.000 1.069 294 F HN 0.301 nan 8.300 nan 0.000 0.514 295 G N 2.338 111.206 108.800 0.114 0.000 2.449 295 G HA2 -0.318 3.642 3.960 0.000 0.000 0.304 295 G HA3 -0.318 3.642 3.960 0.000 0.000 0.304 295 G C -0.030 174.921 174.900 0.085 0.000 0.962 295 G CA 0.926 46.071 45.100 0.075 0.000 0.943 295 G HN 0.544 nan 8.290 nan 0.000 0.514 296 I N -0.983 119.659 120.570 0.119 0.000 2.610 296 I HA 0.659 4.830 4.170 0.000 0.000 0.289 296 I C 0.219 176.395 176.117 0.098 0.000 1.163 296 I CA 0.331 61.686 61.300 0.091 0.000 1.044 296 I CB 1.661 39.721 38.000 0.100 0.000 1.251 296 I HN 1.121 nan 8.210 nan 0.000 0.424 297 G N 5.547 114.385 108.800 0.062 0.000 2.354 297 G HA2 0.033 3.993 3.960 0.000 0.000 0.582 297 G HA3 0.033 3.993 3.960 0.000 0.000 0.582 297 G C -1.617 173.329 174.900 0.077 0.000 1.316 297 G CA -0.914 44.252 45.100 0.109 0.000 0.995 297 G HN 0.789 nan 8.290 nan 0.000 0.573 298 H N -0.571 118.496 119.070 -0.005 0.000 2.482 298 H HA 0.610 5.166 4.556 0.000 0.000 0.344 298 H C -0.117 175.277 175.328 0.109 0.000 1.151 298 H CA 0.339 56.407 56.048 0.033 0.000 1.300 298 H CB 1.835 31.601 29.762 0.007 0.000 1.494 298 H HN 0.492 nan 8.280 nan 0.000 0.542 299 S N 2.734 118.526 115.700 0.154 0.000 2.532 299 S HA 0.171 4.641 4.470 0.000 0.000 0.318 299 S C 1.259 175.864 174.600 0.008 0.000 1.083 299 S CA -0.770 57.453 58.200 0.038 0.000 1.131 299 S CB -0.192 62.970 63.200 -0.064 0.000 0.973 299 S HN 0.549 nan 8.310 nan 0.000 0.468 300 I N 4.164 124.755 120.570 0.035 0.000 2.399 300 I HA -0.194 3.976 4.170 0.000 0.000 0.254 300 I C 2.581 178.611 176.117 -0.145 0.000 1.146 300 I CA 1.083 62.402 61.300 0.032 0.000 1.412 300 I CB -0.135 37.922 38.000 0.094 0.000 1.076 300 I HN 0.663 nan 8.210 nan 0.000 0.432 301 K N 1.397 121.470 120.400 -0.546 0.000 2.025 301 K HA -0.198 4.122 4.320 0.000 0.000 0.207 301 K C 1.876 178.339 176.600 -0.227 0.000 1.049 301 K CA 1.597 57.507 56.287 -0.629 0.000 0.933 301 K CB 0.016 31.998 32.500 -0.864 0.000 0.714 301 K HN 0.397 nan 8.250 nan 0.000 0.438 302 E N 0.226 120.329 120.200 -0.163 0.000 2.150 302 E HA -0.165 4.185 4.350 0.000 0.000 0.193 302 E C 2.022 178.600 176.600 -0.037 0.000 0.985 302 E CA 1.287 57.638 56.400 -0.082 0.000 0.814 302 E CB -0.101 29.558 29.700 -0.070 0.000 0.752 302 E HN 0.361 nan 8.360 nan 0.000 0.466 303 M N -0.307 119.286 119.600 -0.010 0.000 2.319 303 M HA -0.061 4.419 4.480 0.000 0.000 0.265 303 M C 2.078 178.387 176.300 0.015 0.000 1.068 303 M CA 0.921 56.235 55.300 0.023 0.000 1.118 303 M CB 0.022 32.669 32.600 0.079 0.000 1.395 303 M HN 0.096 nan 8.290 nan 0.000 0.435 304 M N 0.112 119.728 119.600 0.027 0.000 2.334 304 M HA -0.065 4.416 4.480 0.000 0.000 0.266 304 M C 0.966 177.314 176.300 0.080 0.000 1.082 304 M CA 1.481 56.831 55.300 0.083 0.000 1.141 304 M CB 0.078 32.745 32.600 0.111 0.000 1.380 304 M HN 0.015 nan 8.290 nan 0.000 0.440 305 D N 0.225 120.642 120.400 0.029 0.000 2.354 305 D HA 0.225 4.866 4.640 0.000 0.000 0.209 305 D C 0.472 176.782 176.300 0.017 0.000 1.015 305 D CA 0.297 54.312 54.000 0.025 0.000 0.867 305 D CB -0.211 40.588 40.800 -0.001 0.000 0.933 305 D HN 0.270 nan 8.370 nan 0.000 0.520 306 A N 1.173 123.996 122.820 0.005 0.000 2.587 306 A HA -0.004 4.316 4.320 0.000 0.000 0.233 306 A C 0.995 178.586 177.584 0.011 0.000 1.049 306 A CA 0.638 52.673 52.037 -0.003 0.000 0.754 306 A CB 0.339 19.330 19.000 -0.015 0.000 0.977 306 A HN -0.086 nan 8.150 nan 0.000 0.509 307 K N 0.893 121.299 120.400 0.010 0.000 2.644 307 K HA 0.184 4.504 4.320 0.000 0.000 0.198 307 K C -1.102 175.514 176.600 0.027 0.000 1.113 307 K CA 0.053 56.353 56.287 0.022 0.000 1.073 307 K CB 0.582 33.096 32.500 0.023 0.000 0.811 307 K HN 0.818 nan 8.250 nan 0.000 0.508 308 D N 0.100 120.513 120.400 0.022 0.000 2.736 308 D HA 0.171 4.811 4.640 0.000 0.000 0.243 308 D C -1.570 174.748 176.300 0.030 0.000 1.304 308 D CA -0.513 53.505 54.000 0.029 0.000 0.934 308 D CB 0.771 41.570 40.800 -0.000 0.000 1.382 308 D HN -0.098 nan 8.370 nan 0.000 0.571 309 F N 6.222 126.110 119.950 -0.104 0.000 2.300 309 F HA 0.383 4.910 4.527 0.000 0.000 0.364 309 F C -0.368 175.407 175.800 -0.041 0.000 1.090 309 F CA -1.006 56.886 58.000 -0.180 0.000 1.200 309 F CB -0.659 38.285 39.000 -0.093 0.000 1.493 309 F HN 0.512 nan 8.300 nan 0.000 0.518 310 F N 3.765 123.520 119.950 -0.325 0.000 3.039 310 F HA -0.241 4.286 4.527 0.000 0.000 0.287 310 F C 1.416 177.098 175.800 -0.196 0.000 0.956 310 F CA 0.690 58.484 58.000 -0.342 0.000 0.971 310 F CB -1.229 37.412 39.000 -0.599 0.000 0.943 310 F HN 0.806 nan 8.300 nan 0.000 0.766 311 G N -1.125 107.698 108.800 0.038 0.000 2.611 311 G HA2 -0.261 3.699 3.960 0.000 0.000 0.208 311 G HA3 -0.261 3.699 3.960 0.000 0.000 0.208 311 G C 0.294 175.224 174.900 0.049 0.000 1.201 311 G CA 0.104 45.227 45.100 0.037 0.000 0.739 311 G HN 1.094 nan 8.290 nan 0.000 0.528 312 T N 0.293 114.895 114.554 0.078 0.000 2.898 312 T HA 0.556 4.906 4.350 0.000 0.000 0.301 312 T C 1.046 175.810 174.700 0.107 0.000 1.049 312 T CA 0.925 63.086 62.100 0.102 0.000 1.095 312 T CB 2.211 71.171 68.868 0.154 0.000 0.976 312 T HN 0.681 nan 8.240 nan 0.000 0.539 313 K N 1.370 121.818 120.400 0.079 0.000 2.051 313 K HA 0.249 4.569 4.320 0.000 0.000 0.206 313 K C 0.126 176.773 176.600 0.077 0.000 0.966 313 K CA 1.085 57.410 56.287 0.064 0.000 1.004 313 K CB -0.661 31.866 32.500 0.045 0.000 1.081 313 K HN 1.497 nan 8.250 nan 0.000 0.574 314 V N -2.777 117.167 119.914 0.051 0.000 3.074 314 V HA -0.089 4.031 4.120 0.000 0.000 0.446 314 V C -0.240 175.871 176.094 0.029 0.000 0.685 314 V CA 0.290 62.608 62.300 0.028 0.000 1.979 314 V CB -0.433 31.396 31.823 0.010 0.000 2.460 314 V HN 0.853 nan 8.190 nan 0.000 0.491 315 E N 2.555 122.773 120.200 0.030 0.000 2.511 315 E HA 0.443 4.793 4.350 0.000 0.000 0.196 315 E C 0.977 177.616 176.600 0.064 0.000 1.066 315 E CA 0.903 57.333 56.400 0.050 0.000 0.871 315 E CB 0.431 30.168 29.700 0.062 0.000 0.863 315 E HN 1.786 nan 8.360 nan 0.000 0.520 316 G N 1.127 109.949 108.800 0.037 0.000 2.325 316 G HA2 -0.096 3.864 3.960 0.000 0.000 0.285 316 G HA3 -0.096 3.864 3.960 0.000 0.000 0.285 316 G C -2.975 171.902 174.900 -0.038 0.000 1.303 316 G CA -1.329 43.784 45.100 0.022 0.000 0.970 316 G HN -0.185 nan 8.290 nan 0.000 0.490 317 P HA 0.367 nan 4.420 nan 0.000 0.262 317 P C 0.405 177.705 177.300 0.000 0.000 1.182 317 P CA 0.833 63.851 63.100 -0.136 0.000 0.761 317 P CB -0.055 31.464 31.700 -0.301 0.000 0.795 318 F N 2.219 122.065 119.950 -0.174 0.000 3.069 318 F HA -0.331 4.196 4.527 0.000 0.000 0.285 318 F C 0.895 176.645 175.800 -0.083 0.000 0.827 318 F CA 1.387 59.312 58.000 -0.125 0.000 1.108 318 F CB -1.949 37.017 39.000 -0.057 0.000 1.252 318 F HN 0.474 nan 8.300 nan 0.000 0.483 319 N N -0.657 118.022 118.700 -0.035 0.000 2.747 319 N HA -0.215 4.525 4.740 0.000 0.000 0.249 319 N C -0.817 174.748 175.510 0.091 0.000 1.107 319 N CA 1.396 54.442 53.050 -0.006 0.000 0.707 319 N CB -0.474 37.982 38.487 -0.052 0.000 1.054 319 N HN 0.263 nan 8.380 nan 0.000 0.555 320 M N -0.062 119.630 119.600 0.154 0.000 2.383 320 M HA 0.446 4.926 4.480 0.000 0.000 0.325 320 M C -2.323 174.178 176.300 0.335 0.000 1.092 320 M CA -2.283 53.167 55.300 0.250 0.000 0.961 320 M CB 1.179 34.007 32.600 0.379 0.000 1.672 320 M HN -0.175 nan 8.290 nan 0.000 0.438 321 P HA 0.134 nan 4.420 nan 0.000 0.269 321 P C -0.313 177.127 177.300 0.232 0.000 1.252 321 P CA 0.353 63.575 63.100 0.204 0.000 0.780 321 P CB 0.126 31.895 31.700 0.116 0.000 0.829 322 H N 0.044 119.150 119.070 0.060 0.000 2.923 322 H HA 0.043 4.599 4.556 0.000 0.000 0.268 322 H C 0.687 176.042 175.328 0.045 0.000 1.148 322 H CA -0.079 56.002 56.048 0.056 0.000 1.146 322 H CB 0.258 30.052 29.762 0.053 0.000 1.607 322 H HN 0.348 nan 8.280 nan 0.000 0.566 323 Q N 0.982 120.864 119.800 0.136 0.000 2.274 323 Q HA 0.172 4.512 4.340 0.000 0.000 0.280 323 Q C 0.860 176.901 176.000 0.068 0.000 1.047 323 Q CA 0.949 56.804 55.803 0.087 0.000 0.907 323 Q CB 0.759 29.536 28.738 0.064 0.000 1.171 323 Q HN 0.523 nan 8.270 nan 0.000 0.381 324 G N 3.086 111.926 108.800 0.067 0.000 2.258 324 G HA2 -0.315 3.645 3.960 0.000 0.000 0.233 324 G HA3 -0.315 3.645 3.960 0.000 0.000 0.233 324 G C 0.598 175.518 174.900 0.033 0.000 1.006 324 G CA 0.138 45.270 45.100 0.054 0.000 0.620 324 G HN 0.549 nan 8.290 nan 0.000 0.511 325 I N 0.488 121.069 120.570 0.018 0.000 2.335 325 I HA -0.035 4.135 4.170 0.000 0.000 0.251 325 I C 2.185 178.238 176.117 -0.106 0.000 1.129 325 I CA 1.970 63.224 61.300 -0.077 0.000 1.402 325 I CB -0.545 37.412 38.000 -0.072 0.000 1.069 325 I HN 0.495 nan 8.210 nan 0.000 0.424 326 Y N 1.346 121.573 120.300 -0.121 0.000 2.181 326 Y HA -0.268 4.282 4.550 0.000 0.000 0.288 326 Y C 2.365 178.196 175.900 -0.115 0.000 1.146 326 Y CA 1.781 59.796 58.100 -0.143 0.000 1.164 326 Y CB -0.042 38.357 38.460 -0.101 0.000 0.982 326 Y HN 0.143 nan 8.280 nan 0.000 0.515 327 E N -0.399 119.827 120.200 0.044 0.000 2.047 327 E HA -0.128 4.222 4.350 0.000 0.000 0.191 327 E C 2.261 178.787 176.600 -0.122 0.000 0.987 327 E CA 2.015 58.401 56.400 -0.024 0.000 0.799 327 E CB -0.757 28.977 29.700 0.057 0.000 0.752 327 E HN 0.391 nan 8.360 nan 0.000 0.449 328 T N 0.246 114.726 114.554 -0.123 0.000 2.653 328 T HA -0.246 4.104 4.350 0.000 0.000 0.268 328 T C 1.667 176.116 174.700 -0.418 0.000 1.035 328 T CA 1.771 63.775 62.100 -0.160 0.000 1.154 328 T CB -0.582 68.195 68.868 -0.150 0.000 0.862 328 T HN 0.305 nan 8.240 nan 0.000 0.441 329 Y N 1.673 121.487 120.300 -0.810 0.000 2.153 329 Y HA -0.123 4.427 4.550 0.000 0.000 0.289 329 Y C 2.585 178.189 175.900 -0.492 0.000 1.127 329 Y CA 1.406 58.950 58.100 -0.926 0.000 1.131 329 Y CB -0.229 37.699 38.460 -0.886 0.000 0.995 329 Y HN 0.101 nan 8.280 nan 0.000 0.505 330 N N 0.390 118.980 118.700 -0.183 0.000 2.309 330 N HA -0.167 4.573 4.740 0.000 0.000 0.182 330 N C 0.871 176.320 175.510 -0.102 0.000 1.018 330 N CA 1.456 54.386 53.050 -0.201 0.000 0.876 330 N CB -0.233 37.919 38.487 -0.558 0.000 0.972 330 N HN 0.362 nan 8.380 nan 0.000 0.434 331 N N -1.196 117.454 118.700 -0.084 0.000 2.373 331 N HA 0.001 4.741 4.740 0.000 0.000 0.181 331 N C -0.382 175.162 175.510 0.057 0.000 1.082 331 N CA 0.182 53.234 53.050 0.004 0.000 0.885 331 N CB 0.327 38.819 38.487 0.008 0.000 0.977 331 N HN 0.013 nan 8.380 nan 0.000 0.462 332 S N 0.596 116.315 115.700 0.031 0.000 2.474 332 S HA 0.376 4.847 4.470 0.000 0.000 0.321 332 S C 1.116 175.705 174.600 -0.017 0.000 1.080 332 S CA -0.581 57.686 58.200 0.112 0.000 1.106 332 S CB 0.567 63.983 63.200 0.359 0.000 0.984 332 S HN 0.065 nan 8.310 nan 0.000 0.464 333 L N 4.358 125.524 121.223 -0.094 0.000 2.201 333 L HA -0.025 4.315 4.340 0.000 0.000 0.212 333 L C 2.094 178.761 176.870 -0.339 0.000 1.105 333 L CA 0.827 55.499 54.840 -0.281 0.000 0.775 333 L CB -0.379 41.422 42.059 -0.430 0.000 0.913 333 L HN 0.769 nan 8.230 nan 0.000 0.440 334 H N -1.536 117.523 119.070 -0.019 0.000 2.428 334 H HA -0.129 4.427 4.556 0.000 0.000 0.296 334 H C 2.053 177.346 175.328 -0.059 0.000 1.062 334 H CA 1.377 57.447 56.048 0.036 0.000 1.350 334 H CB -0.070 29.788 29.762 0.160 0.000 1.403 334 H HN 0.289 nan 8.280 nan 0.000 0.533 335 F N 2.152 121.988 119.950 -0.189 0.000 2.113 335 F HA -0.185 4.342 4.527 0.000 0.000 0.297 335 F C 2.544 177.950 175.800 -0.657 0.000 1.103 335 F CA 1.259 58.906 58.000 -0.588 0.000 1.248 335 F CB 0.076 38.499 39.000 -0.961 0.000 0.999 335 F HN 0.058 nan 8.300 nan 0.000 0.475 336 Q N -0.207 119.271 119.800 -0.536 0.000 2.050 336 Q HA -0.233 4.107 4.340 0.000 0.000 0.202 336 Q C 2.128 177.619 176.000 -0.849 0.000 0.980 336 Q CA 1.843 57.109 55.803 -0.894 0.000 0.840 336 Q CB -0.601 27.733 28.738 -0.673 0.000 0.898 336 Q HN 0.428 nan 8.270 nan 0.000 0.424 337 L N 0.766 121.680 121.223 -0.514 0.000 2.046 337 L HA -0.054 4.286 4.340 0.000 0.000 0.208 337 L C 2.109 178.800 176.870 -0.298 0.000 1.077 337 L CA 2.274 56.867 54.840 -0.411 0.000 0.747 337 L CB -1.052 40.704 42.059 -0.505 0.000 0.896 337 L HN 0.201 nan 8.230 nan 0.000 0.432 338 G N -1.240 107.416 108.800 -0.240 0.000 2.421 338 G HA2 -0.310 3.650 3.960 0.000 0.000 0.216 338 G HA3 -0.310 3.650 3.960 0.000 0.000 0.216 338 G C 1.508 176.270 174.900 -0.230 0.000 1.171 338 G CA 0.654 45.638 45.100 -0.193 0.000 0.775 338 G HN 0.565 nan 8.290 nan 0.000 0.543 339 W N 0.948 121.951 121.300 -0.496 0.000 2.354 339 W HA -0.129 4.532 4.660 0.000 0.000 0.315 339 W C 2.496 178.983 176.519 -0.054 0.000 1.206 339 W CA 1.650 58.794 57.345 -0.334 0.000 1.290 339 W CB -0.300 28.959 29.460 -0.335 0.000 1.152 339 W HN 0.343 nan 8.180 nan 0.000 0.489 340 H N 0.072 119.190 119.070 0.080 0.000 2.421 340 H HA -0.105 4.451 4.556 0.000 0.000 0.298 340 H C 2.352 177.637 175.328 -0.072 0.000 1.087 340 H CA 1.509 57.572 56.048 0.025 0.000 1.330 340 H CB -0.942 28.832 29.762 0.019 0.000 1.388 340 H HN 0.226 nan 8.280 nan 0.000 0.526 341 L N -0.280 120.942 121.223 -0.001 0.000 2.093 341 L HA -0.086 4.254 4.340 0.000 0.000 0.208 341 L C 2.670 179.486 176.870 -0.090 0.000 1.085 341 L CA 0.881 55.689 54.840 -0.053 0.000 0.755 341 L CB -0.429 41.587 42.059 -0.072 0.000 0.904 341 L HN 0.260 nan 8.230 nan 0.000 0.435 342 A N -0.806 121.909 122.820 -0.176 0.000 1.898 342 A HA -0.218 4.102 4.320 0.000 0.000 0.216 342 A C 2.403 179.875 177.584 -0.186 0.000 1.181 342 A CA 1.767 53.661 52.037 -0.238 0.000 0.620 342 A CB -1.108 17.625 19.000 -0.445 0.000 0.819 342 A HN 0.520 nan 8.150 nan 0.000 0.442 343 C N -1.391 117.807 119.300 -0.170 0.000 2.432 343 C HA -0.062 4.398 4.460 0.000 0.000 0.277 343 C C 2.529 177.479 174.990 -0.067 0.000 1.249 343 C CA 1.131 60.085 59.018 -0.107 0.000 1.725 343 C CB -1.412 26.302 27.740 -0.042 0.000 2.028 343 C HN 0.652 nan 8.230 nan 0.000 0.477 344 L N 1.753 122.947 121.223 -0.049 0.000 2.046 344 L HA 0.054 4.394 4.340 0.000 0.000 0.208 344 L C 2.459 179.299 176.870 -0.050 0.000 1.077 344 L CA 2.305 57.119 54.840 -0.044 0.000 0.747 344 L CB -1.249 40.791 42.059 -0.032 0.000 0.896 344 L HN 0.346 nan 8.230 nan 0.000 0.432 345 G N -1.394 107.375 108.800 -0.051 0.000 2.422 345 G HA2 -0.187 3.773 3.960 0.000 0.000 0.218 345 G HA3 -0.187 3.773 3.960 0.000 0.000 0.218 345 G C 1.547 176.412 174.900 -0.058 0.000 1.146 345 G CA 0.995 46.068 45.100 -0.045 0.000 0.769 345 G HN 0.316 nan 8.290 nan 0.000 0.547 346 V N 2.036 121.909 119.914 -0.068 0.000 2.270 346 V HA -0.161 3.959 4.120 0.000 0.000 0.245 346 V C 2.724 178.775 176.094 -0.073 0.000 1.043 346 V CA 1.817 64.077 62.300 -0.066 0.000 1.014 346 V CB -0.428 31.353 31.823 -0.071 0.000 0.645 346 V HN 0.630 nan 8.190 nan 0.000 0.447 347 I N -1.924 118.601 120.570 -0.076 0.000 3.001 347 I HA -0.088 4.082 4.170 0.000 0.000 0.268 347 I C 1.957 178.003 176.117 -0.118 0.000 1.267 347 I CA 1.414 62.656 61.300 -0.096 0.000 1.472 347 I CB -0.563 37.386 38.000 -0.084 0.000 1.089 347 I HN 0.172 nan 8.210 nan 0.000 0.468 348 T N 0.025 114.521 114.554 -0.097 0.000 2.896 348 T HA -0.038 4.312 4.350 0.000 0.000 0.263 348 T C 2.044 176.673 174.700 -0.117 0.000 1.050 348 T CA 1.503 63.542 62.100 -0.102 0.000 1.140 348 T CB -0.028 68.816 68.868 -0.041 0.000 0.877 348 T HN 0.391 nan 8.240 nan 0.000 0.457 349 S N 1.003 116.643 115.700 -0.101 0.000 2.368 349 S HA 0.021 4.491 4.470 0.000 0.000 0.224 349 S C 1.902 176.443 174.600 -0.099 0.000 1.029 349 S CA 0.502 58.642 58.200 -0.100 0.000 0.988 349 S CB -0.360 62.800 63.200 -0.067 0.000 0.838 349 S HN 0.227 nan 8.310 nan 0.000 0.462 350 L N 1.538 122.674 121.223 -0.146 0.000 2.012 350 L HA -0.061 4.279 4.340 0.000 0.000 0.210 350 L C 2.215 178.902 176.870 -0.304 0.000 1.073 350 L CA 1.527 56.193 54.840 -0.289 0.000 0.748 350 L CB -0.726 41.135 42.059 -0.329 0.000 0.891 350 L HN 0.122 nan 8.230 nan 0.000 0.431 351 V N -0.284 119.497 119.914 -0.221 0.000 2.332 351 V HA -0.351 3.769 4.120 0.000 0.000 0.248 351 V C 2.693 178.736 176.094 -0.084 0.000 1.055 351 V CA 1.758 63.943 62.300 -0.192 0.000 1.038 351 V CB -1.186 30.448 31.823 -0.315 0.000 0.651 351 V HN 0.612 nan 8.190 nan 0.000 0.450 352 A N -1.081 121.694 122.820 -0.074 0.000 1.873 352 A HA -0.196 4.124 4.320 0.000 0.000 0.215 352 A C 2.183 180.026 177.584 0.431 0.000 1.186 352 A CA 1.375 53.434 52.037 0.037 0.000 0.616 352 A CB -0.404 18.395 19.000 -0.334 0.000 0.823 352 A HN 0.525 nan 8.150 nan 0.000 0.442 353 Q N -0.240 119.794 119.800 0.391 0.000 2.084 353 Q HA -0.178 4.162 4.340 0.000 0.000 0.202 353 Q C 1.778 178.105 176.000 0.545 0.000 0.978 353 Q CA 1.931 58.127 55.803 0.655 0.000 0.844 353 Q CB -0.596 28.410 28.738 0.447 0.000 0.898 353 Q HN 0.908 nan 8.270 nan 0.000 0.426 354 H N -0.889 118.276 119.070 0.158 0.000 2.502 354 H HA 0.146 4.702 4.556 0.000 0.000 0.283 354 H C 1.945 177.291 175.328 0.031 0.000 1.015 354 H CA 0.149 56.217 56.048 0.033 0.000 1.298 354 H CB 0.252 30.023 29.762 0.016 0.000 1.411 354 H HN 0.154 nan 8.280 nan 0.000 0.556 355 M N 0.464 120.210 119.600 0.245 0.000 2.349 355 M HA -0.087 4.393 4.480 0.000 0.000 0.266 355 M C 1.996 178.449 176.300 0.256 0.000 1.076 355 M CA 1.096 56.509 55.300 0.188 0.000 1.126 355 M CB 0.019 32.717 32.600 0.164 0.000 1.392 355 M HN 0.395 nan 8.290 nan 0.000 0.440 356 Y N -0.595 119.876 120.300 0.285 0.000 2.365 356 Y HA 0.027 4.577 4.550 0.000 0.000 0.293 356 Y C 2.355 178.412 175.900 0.260 0.000 1.119 356 Y CA 1.117 59.420 58.100 0.339 0.000 1.203 356 Y CB -0.844 37.925 38.460 0.515 0.000 1.026 356 Y HN 0.176 nan 8.280 nan 0.000 0.549 357 S N 0.084 115.373 115.700 -0.685 0.000 2.458 357 S HA 0.176 4.646 4.470 0.000 0.000 0.223 357 S C 0.672 175.210 174.600 -0.103 0.000 1.019 357 S CA 0.172 58.017 58.200 -0.591 0.000 0.937 357 S CB -0.405 62.266 63.200 -0.881 0.000 0.788 357 S HN 0.382 nan 8.310 nan 0.000 0.511 358 L N 2.293 123.515 121.223 -0.002 0.000 2.784 358 L HA 0.456 4.797 4.340 0.000 0.000 0.241 358 L C -2.908 174.068 176.870 0.177 0.000 1.352 358 L CA -2.170 52.800 54.840 0.216 0.000 0.911 358 L CB 1.037 43.169 42.059 0.123 0.000 1.227 358 L HN -0.037 nan 8.230 nan 0.000 0.501 359 P HA -0.089 nan 4.420 nan 0.000 0.257 359 P C -1.977 175.316 177.300 -0.011 0.000 1.153 359 P CA -0.252 62.845 63.100 -0.005 0.000 0.762 359 P CB 0.254 31.872 31.700 -0.135 0.000 0.743 360 P HA 0.055 nan 4.420 nan 0.000 0.272 360 P C -0.590 176.534 177.300 -0.294 0.000 1.276 360 P CA 0.451 63.400 63.100 -0.252 0.000 0.871 360 P CB 0.584 32.014 31.700 -0.449 0.000 1.313 361 Y N 0.448 120.824 120.300 0.128 0.000 2.377 361 Y HA 0.569 5.119 4.550 0.000 0.000 0.339 361 Y C 0.848 176.797 175.900 0.081 0.000 1.011 361 Y CA -1.644 56.560 58.100 0.174 0.000 1.093 361 Y CB 1.400 40.035 38.460 0.291 0.000 1.201 361 Y HN -0.137 nan 8.280 nan 0.000 0.455 362 A N 2.967 125.879 122.820 0.153 0.000 2.561 362 A HA 0.141 4.461 4.320 0.000 0.000 0.251 362 A C 0.116 177.810 177.584 0.183 0.000 1.062 362 A CA 0.280 52.185 52.037 -0.220 0.000 0.761 362 A CB -1.040 17.597 19.000 -0.606 0.000 0.986 362 A HN 0.968 nan 8.150 nan 0.000 0.510 363 F N -0.413 119.566 119.950 0.048 0.000 2.825 363 F HA -0.298 4.229 4.527 0.000 0.000 0.358 363 F C 1.231 177.144 175.800 0.188 0.000 0.639 363 F CA 0.936 58.991 58.000 0.092 0.000 1.153 363 F CB -1.953 37.073 39.000 0.043 0.000 1.610 363 F HN 0.576 nan 8.300 nan 0.000 0.305 364 I N 0.546 121.294 120.570 0.297 0.000 2.454 364 I HA -0.234 3.936 4.170 0.000 0.000 0.254 364 I C 2.333 178.432 176.117 -0.030 0.000 1.156 364 I CA 1.559 62.822 61.300 -0.061 0.000 1.433 364 I CB -0.129 37.838 38.000 -0.056 0.000 1.082 364 I HN 0.254 nan 8.210 nan 0.000 0.432 365 A N -0.396 122.431 122.820 0.012 0.000 2.178 365 A HA -0.219 4.101 4.320 0.000 0.000 0.218 365 A C 2.104 179.672 177.584 -0.027 0.000 1.157 365 A CA 1.318 53.378 52.037 0.038 0.000 0.689 365 A CB -0.422 18.568 19.000 -0.016 0.000 0.787 365 A HN 0.607 nan 8.150 nan 0.000 0.465 366 Q N -0.852 118.895 119.800 -0.088 0.000 2.376 366 Q HA -0.007 4.333 4.340 0.000 0.000 0.206 366 Q C -0.047 175.631 176.000 -0.536 0.000 0.921 366 Q CA 0.191 55.828 55.803 -0.277 0.000 0.911 366 Q CB 0.335 29.024 28.738 -0.082 0.000 1.032 366 Q HN 0.465 nan 8.270 nan 0.000 0.510 367 D N 0.024 120.257 120.400 -0.278 0.000 2.483 367 D HA -0.020 4.620 4.640 0.000 0.000 0.220 367 D C 0.479 176.601 176.300 -0.298 0.000 1.173 367 D CA 0.012 53.875 54.000 -0.229 0.000 0.964 367 D CB 0.322 41.107 40.800 -0.025 0.000 1.046 367 D HN 0.221 nan 8.370 nan 0.000 0.517 368 H N 1.435 120.269 119.070 -0.393 0.000 2.387 368 H HA -0.086 4.470 4.556 0.000 0.000 0.299 368 H C 1.648 176.783 175.328 -0.322 0.000 1.090 368 H CA 1.254 56.859 56.048 -0.738 0.000 1.332 368 H CB -0.271 28.674 29.762 -1.362 0.000 1.386 368 H HN 0.345 nan 8.280 nan 0.000 0.516 369 T N -0.134 114.349 114.554 -0.117 0.000 2.777 369 T HA -0.148 4.202 4.350 0.000 0.000 0.266 369 T C 2.241 176.894 174.700 -0.079 0.000 1.040 369 T CA 2.026 64.023 62.100 -0.171 0.000 1.141 369 T CB -0.383 68.231 68.868 -0.422 0.000 0.868 369 T HN 0.611 nan 8.240 nan 0.000 0.444 370 T N 0.807 115.392 114.554 0.050 0.000 2.951 370 T HA 0.022 4.372 4.350 0.000 0.000 0.268 370 T C 2.012 176.766 174.700 0.091 0.000 1.073 370 T CA 0.510 62.669 62.100 0.097 0.000 1.134 370 T CB -0.327 68.611 68.868 0.116 0.000 0.884 370 T HN 0.061 nan 8.240 nan 0.000 0.479 371 M N 1.063 120.747 119.600 0.140 0.000 2.200 371 M HA 0.200 4.680 4.480 0.000 0.000 0.265 371 M C 2.848 179.290 176.300 0.236 0.000 1.066 371 M CA 1.471 56.931 55.300 0.266 0.000 1.127 371 M CB -1.397 31.480 32.600 0.462 0.000 1.379 371 M HN 0.539 nan 8.290 nan 0.000 0.420 372 A N 0.332 123.342 122.820 0.316 0.000 1.902 372 A HA -0.002 4.318 4.320 0.000 0.000 0.217 372 A C 2.417 179.972 177.584 -0.049 0.000 1.181 372 A CA 2.029 54.173 52.037 0.178 0.000 0.623 372 A CB -0.868 18.357 19.000 0.376 0.000 0.818 372 A HN 0.461 nan 8.150 nan 0.000 0.443 373 A N -0.217 122.593 122.820 -0.015 0.000 1.877 373 A HA -0.046 4.274 4.320 0.000 0.000 0.216 373 A C 2.167 179.772 177.584 0.034 0.000 1.186 373 A CA 1.497 53.530 52.037 -0.007 0.000 0.620 373 A CB -0.648 18.349 19.000 -0.004 0.000 0.822 373 A HN 0.467 nan 8.150 nan 0.000 0.443 374 L N -2.255 118.997 121.223 0.047 0.000 2.083 374 L HA -0.199 4.141 4.340 0.000 0.000 0.209 374 L C 2.593 179.540 176.870 0.127 0.000 1.083 374 L CA 1.749 56.649 54.840 0.101 0.000 0.752 374 L CB -0.539 41.621 42.059 0.167 0.000 0.899 374 L HN 0.611 nan 8.230 nan 0.000 0.433 375 Y N 0.655 120.845 120.300 -0.184 0.000 2.184 375 Y HA -0.215 4.335 4.550 0.000 0.000 0.290 375 Y C 2.690 178.450 175.900 -0.233 0.000 1.129 375 Y CA 1.983 59.861 58.100 -0.371 0.000 1.144 375 Y CB -0.325 37.400 38.460 -1.225 0.000 0.995 375 Y HN 0.038 nan 8.280 nan 0.000 0.513 376 T N -0.775 113.729 114.554 -0.084 0.000 2.708 376 T HA -0.270 4.080 4.350 0.000 0.000 0.266 376 T C 1.546 176.357 174.700 0.184 0.000 1.037 376 T CA 1.938 64.108 62.100 0.117 0.000 1.146 376 T CB -0.738 68.307 68.868 0.294 0.000 0.865 376 T HN 0.609 nan 8.240 nan 0.000 0.435 377 H N 0.865 119.950 119.070 0.026 0.000 2.265 377 H HA -0.154 4.402 4.556 0.000 0.000 0.295 377 H C 2.152 177.421 175.328 -0.099 0.000 1.084 377 H CA 2.203 58.228 56.048 -0.039 0.000 1.261 377 H CB -0.559 29.088 29.762 -0.191 0.000 1.360 377 H HN 0.573 nan 8.280 nan 0.000 0.487 378 H N -0.739 118.274 119.070 -0.095 0.000 2.457 378 H HA -0.070 4.486 4.556 0.000 0.000 0.294 378 H C 2.195 177.376 175.328 -0.246 0.000 1.064 378 H CA 1.046 56.975 56.048 -0.198 0.000 1.330 378 H CB 0.305 30.015 29.762 -0.087 0.000 1.395 378 H HN 0.407 nan 8.280 nan 0.000 0.541 379 Q N -0.423 119.241 119.800 -0.226 0.000 2.137 379 Q HA -0.106 4.234 4.340 0.000 0.000 0.198 379 Q C 1.677 177.542 176.000 -0.226 0.000 0.960 379 Q CA 1.120 56.742 55.803 -0.303 0.000 0.847 379 Q CB -0.165 28.278 28.738 -0.491 0.000 0.915 379 Q HN 0.611 nan 8.270 nan 0.000 0.448 380 Y N 0.384 120.630 120.300 -0.089 0.000 2.200 380 Y HA -0.180 4.370 4.550 0.000 0.000 0.290 380 Y C 2.229 178.193 175.900 0.106 0.000 1.137 380 Y CA 0.642 58.763 58.100 0.034 0.000 1.163 380 Y CB -0.031 38.486 38.460 0.096 0.000 0.988 380 Y HN 0.059 nan 8.280 nan 0.000 0.518 381 I N -0.209 120.400 120.570 0.064 0.000 2.208 381 I HA -0.337 3.833 4.170 0.000 0.000 0.245 381 I C 2.551 178.715 176.117 0.079 0.000 1.097 381 I CA 1.626 62.937 61.300 0.019 0.000 1.363 381 I CB -1.770 36.141 38.000 -0.148 0.000 1.051 381 I HN 0.189 nan 8.210 nan 0.000 0.413 382 A N 0.816 123.639 122.820 0.006 0.000 1.933 382 A HA -0.102 4.219 4.320 0.000 0.000 0.218 382 A C 2.516 180.090 177.584 -0.017 0.000 1.175 382 A CA 1.851 53.877 52.037 -0.019 0.000 0.628 382 A CB -1.298 17.661 19.000 -0.068 0.000 0.814 382 A HN 0.439 nan 8.150 nan 0.000 0.444 383 G N -1.486 107.286 108.800 -0.046 0.000 2.408 383 G HA2 -0.128 3.832 3.960 0.000 0.000 0.217 383 G HA3 -0.128 3.832 3.960 0.000 0.000 0.217 383 G C 1.365 176.187 174.900 -0.130 0.000 1.150 383 G CA 0.988 46.010 45.100 -0.130 0.000 0.776 383 G HN 0.426 nan 8.290 nan 0.000 0.542 384 F N 0.686 120.618 119.950 -0.031 0.000 2.113 384 F HA 0.079 4.606 4.527 0.000 0.000 0.297 384 F C 2.671 178.475 175.800 0.006 0.000 1.103 384 F CA 0.815 58.813 58.000 -0.003 0.000 1.248 384 F CB -0.269 38.734 39.000 0.004 0.000 0.999 384 F HN 0.001 nan 8.300 nan 0.000 0.475 385 L N -1.005 120.318 121.223 0.167 0.000 1.989 385 L HA -0.284 4.056 4.340 0.000 0.000 0.211 385 L C 2.545 179.446 176.870 0.052 0.000 1.071 385 L CA 1.098 55.986 54.840 0.080 0.000 0.749 385 L CB -0.653 41.425 42.059 0.032 0.000 0.890 385 L HN 0.172 nan 8.230 nan 0.000 0.431 386 M N -0.669 118.952 119.600 0.035 0.000 2.108 386 M HA -0.161 4.319 4.480 0.000 0.000 0.261 386 M C 2.355 178.746 176.300 0.152 0.000 1.066 386 M CA 1.469 56.808 55.300 0.066 0.000 1.107 386 M CB -1.116 31.506 32.600 0.036 0.000 1.356 386 M HN 0.090 nan 8.290 nan 0.000 0.406 387 V N -0.006 119.953 119.914 0.074 0.000 2.427 387 V HA -0.170 3.950 4.120 0.000 0.000 0.248 387 V C 2.590 178.801 176.094 0.194 0.000 1.051 387 V CA 1.989 64.349 62.300 0.100 0.000 1.048 387 V CB -1.552 30.256 31.823 -0.025 0.000 0.666 387 V HN 0.564 nan 8.190 nan 0.000 0.456 388 G N -0.512 108.386 108.800 0.163 0.000 2.408 388 G HA2 -0.171 3.789 3.960 0.000 0.000 0.217 388 G HA3 -0.171 3.789 3.960 0.000 0.000 0.217 388 G C 1.770 176.757 174.900 0.146 0.000 1.150 388 G CA 0.961 46.160 45.100 0.165 0.000 0.776 388 G HN 0.590 nan 8.290 nan 0.000 0.542 389 A N 0.499 123.356 122.820 0.061 0.000 1.883 389 A HA 0.080 4.400 4.320 0.000 0.000 0.217 389 A C 2.131 179.633 177.584 -0.138 0.000 1.186 389 A CA 1.318 53.304 52.037 -0.084 0.000 0.624 389 A CB -0.554 18.326 19.000 -0.200 0.000 0.822 389 A HN 0.318 nan 8.150 nan 0.000 0.444 390 F N -0.239 119.684 119.950 -0.045 0.000 2.456 390 F HA 0.074 4.601 4.527 0.000 0.000 0.298 390 F C 2.610 178.394 175.800 -0.027 0.000 1.104 390 F CA 0.664 58.635 58.000 -0.048 0.000 1.435 390 F CB -0.082 38.887 39.000 -0.052 0.000 1.078 390 F HN 0.270 nan 8.300 nan 0.000 0.546 391 A N -0.723 122.180 122.820 0.138 0.000 1.872 391 A HA -0.165 4.155 4.320 0.000 0.000 0.214 391 A C 1.979 179.388 177.584 -0.290 0.000 1.187 391 A CA 1.363 53.391 52.037 -0.015 0.000 0.614 391 A CB -0.888 18.045 19.000 -0.111 0.000 0.826 391 A HN 0.363 nan 8.150 nan 0.000 0.442 392 H N -0.710 118.284 119.070 -0.126 0.000 2.495 392 H HA -0.041 4.515 4.556 0.000 0.000 0.287 392 H C 2.315 177.589 175.328 -0.090 0.000 1.033 392 H CA 0.985 56.956 56.048 -0.128 0.000 1.307 392 H CB -0.151 29.575 29.762 -0.059 0.000 1.401 392 H HN 0.531 nan 8.280 nan 0.000 0.555 393 G N 0.323 109.099 108.800 -0.040 0.000 2.394 393 G HA2 -0.145 3.815 3.960 0.000 0.000 0.215 393 G HA3 -0.145 3.815 3.960 0.000 0.000 0.215 393 G C 1.934 176.884 174.900 0.083 0.000 1.165 393 G CA 0.703 45.787 45.100 -0.027 0.000 0.784 393 G HN 0.427 nan 8.290 nan 0.000 0.535 394 A N 0.566 123.399 122.820 0.021 0.000 1.968 394 A HA 0.160 4.480 4.320 0.000 0.000 0.217 394 A C 2.342 179.864 177.584 -0.103 0.000 1.169 394 A CA 0.910 52.975 52.037 0.047 0.000 0.638 394 A CB -0.268 18.846 19.000 0.191 0.000 0.812 394 A HN 0.371 nan 8.150 nan 0.000 0.446 395 I N -1.513 118.815 120.570 -0.402 0.000 2.315 395 I HA -0.197 3.973 4.170 0.000 0.000 0.248 395 I C 2.326 178.255 176.117 -0.313 0.000 1.117 395 I CA 1.393 62.323 61.300 -0.618 0.000 1.404 395 I CB -0.350 37.002 38.000 -1.080 0.000 1.071 395 I HN 0.489 nan 8.210 nan 0.000 0.419 396 F N 1.891 121.725 119.950 -0.194 0.000 2.095 396 F HA -0.212 4.315 4.527 0.000 0.000 0.298 396 F C 2.108 177.948 175.800 0.065 0.000 1.104 396 F CA 1.691 59.700 58.000 0.014 0.000 1.232 396 F CB -0.431 38.632 39.000 0.105 0.000 0.987 396 F HN -0.111 nan 8.300 nan 0.000 0.475 397 L N -0.439 120.593 121.223 -0.317 0.000 2.191 397 L HA -0.174 4.166 4.340 0.000 0.000 0.212 397 L C 2.235 179.006 176.870 -0.165 0.000 1.103 397 L CA 0.765 55.398 54.840 -0.346 0.000 0.769 397 L CB -0.563 41.435 42.059 -0.101 0.000 0.908 397 L HN 0.120 nan 8.230 nan 0.000 0.438 398 V N -0.834 119.018 119.914 -0.102 0.000 2.599 398 V HA -0.087 4.033 4.120 0.000 0.000 0.245 398 V C 2.249 178.315 176.094 -0.047 0.000 1.046 398 V CA 1.294 63.584 62.300 -0.016 0.000 1.065 398 V CB -0.165 31.704 31.823 0.077 0.000 0.703 398 V HN 0.347 nan 8.190 nan 0.000 0.464 399 R N -0.808 119.629 120.500 -0.105 0.000 2.254 399 R HA 0.108 4.448 4.340 0.000 0.000 0.193 399 R C 1.149 177.414 176.300 -0.059 0.000 0.929 399 R CA 0.612 56.670 56.100 -0.071 0.000 1.038 399 R CB 0.282 30.531 30.300 -0.084 0.000 1.009 399 R HN 0.385 nan 8.270 nan 0.000 0.512 400 D N -1.370 118.953 120.400 -0.127 0.000 2.473 400 D HA -0.031 4.609 4.640 0.000 0.000 0.242 400 D C -0.524 175.668 176.300 -0.180 0.000 1.106 400 D CA 0.032 53.984 54.000 -0.081 0.000 0.854 400 D CB 0.228 41.105 40.800 0.127 0.000 1.192 400 D HN -0.012 nan 8.370 nan 0.000 0.503 401 Y N 2.658 122.599 120.300 -0.598 0.000 2.605 401 Y HA 0.181 4.731 4.550 0.000 0.000 0.336 401 Y C -0.348 175.445 175.900 -0.179 0.000 1.111 401 Y CA -0.558 57.253 58.100 -0.481 0.000 1.422 401 Y CB 0.281 38.380 38.460 -0.602 0.000 1.193 401 Y HN -0.274 nan 8.280 nan 0.000 0.526 402 D N 8.794 128.826 120.400 -0.612 0.000 2.427 402 D HA 0.321 4.961 4.640 0.000 0.000 0.226 402 D C -2.097 173.718 176.300 -0.808 0.000 1.076 402 D CA -2.461 51.213 54.000 -0.542 0.000 0.849 402 D CB 1.702 42.350 40.800 -0.252 0.000 1.052 402 D HN 0.295 nan 8.370 nan 0.000 0.515 403 P HA -0.192 nan 4.420 nan 0.000 0.215 403 P C 1.142 178.305 177.300 -0.227 0.000 1.157 403 P CA 1.657 64.464 63.100 -0.488 0.000 0.874 403 P CB 0.151 31.742 31.700 -0.182 0.000 0.790 404 A N -0.426 122.291 122.820 -0.172 0.000 1.903 404 A HA -0.300 4.021 4.320 0.000 0.000 0.219 404 A C 2.097 179.635 177.584 -0.077 0.000 1.191 404 A CA 2.011 53.992 52.037 -0.093 0.000 0.638 404 A CB -1.609 17.344 19.000 -0.078 0.000 0.823 404 A HN 0.236 nan 8.150 nan 0.000 0.451 405 Q N -1.160 118.576 119.800 -0.106 0.000 2.415 405 Q HA 0.089 4.429 4.340 0.000 0.000 0.206 405 Q C 0.350 176.334 176.000 -0.027 0.000 0.946 405 Q CA 0.675 56.444 55.803 -0.057 0.000 0.951 405 Q CB 0.075 28.781 28.738 -0.054 0.000 1.026 405 Q HN 0.799 nan 8.270 nan 0.000 0.510 406 N N -0.794 117.889 118.700 -0.028 0.000 2.118 406 N HA 0.054 4.794 4.740 0.000 0.000 0.226 406 N C -0.800 174.765 175.510 0.091 0.000 1.305 406 N CA -0.216 52.877 53.050 0.070 0.000 0.890 406 N CB 0.696 39.313 38.487 0.218 0.000 1.118 406 N HN -0.069 nan 8.380 nan 0.000 0.511 407 K N 0.701 121.130 120.400 0.048 0.000 2.491 407 K HA 0.094 4.414 4.320 0.000 0.000 0.279 407 K C 1.015 177.654 176.600 0.065 0.000 1.026 407 K CA 1.326 57.649 56.287 0.060 0.000 1.070 407 K CB -0.059 32.461 32.500 0.033 0.000 0.887 407 K HN 0.294 nan 8.250 nan 0.000 0.481 408 G N 2.654 111.501 108.800 0.078 0.000 2.241 408 G HA2 -0.333 3.627 3.960 0.000 0.000 0.244 408 G HA3 -0.333 3.627 3.960 0.000 0.000 0.244 408 G C -0.043 174.904 174.900 0.078 0.000 0.998 408 G CA 0.375 45.518 45.100 0.072 0.000 0.621 408 G HN 0.838 nan 8.290 nan 0.000 0.519 409 N N 0.529 119.278 118.700 0.082 0.000 2.405 409 N HA 0.474 5.214 4.740 0.000 0.000 0.269 409 N C 1.862 177.406 175.510 0.057 0.000 1.249 409 N CA 0.770 53.858 53.050 0.063 0.000 0.974 409 N CB 0.383 38.897 38.487 0.046 0.000 1.204 409 N HN 0.889 nan 8.380 nan 0.000 0.565 410 V N -2.361 117.548 119.914 -0.008 0.000 2.380 410 V HA -0.224 3.896 4.120 0.000 0.000 0.251 410 V C 2.173 178.299 176.094 0.054 0.000 1.063 410 V CA 1.525 63.826 62.300 0.002 0.000 1.055 410 V CB -1.226 30.526 31.823 -0.117 0.000 0.657 410 V HN 0.618 nan 8.190 nan 0.000 0.455 411 L N 0.434 121.695 121.223 0.064 0.000 2.017 411 L HA -0.185 4.155 4.340 0.000 0.000 0.208 411 L C 2.618 179.540 176.870 0.087 0.000 1.073 411 L CA 2.573 57.469 54.840 0.093 0.000 0.745 411 L CB -0.510 41.646 42.059 0.162 0.000 0.894 411 L HN 0.500 nan 8.230 nan 0.000 0.432 412 D N -0.269 120.222 120.400 0.151 0.000 2.117 412 D HA -0.213 4.427 4.640 0.000 0.000 0.197 412 D C 2.243 178.623 176.300 0.133 0.000 0.987 412 D CA 1.391 55.494 54.000 0.173 0.000 0.829 412 D CB 0.069 40.980 40.800 0.185 0.000 0.961 412 D HN 0.119 nan 8.370 nan 0.000 0.460 413 R N -0.268 120.312 120.500 0.133 0.000 2.083 413 R HA -0.101 4.239 4.340 0.000 0.000 0.237 413 R C 2.471 178.923 176.300 0.254 0.000 1.137 413 R CA 1.279 57.483 56.100 0.175 0.000 0.951 413 R CB -0.466 29.925 30.300 0.152 0.000 0.851 413 R HN 0.153 nan 8.270 nan 0.000 0.434 414 V N 1.556 121.552 119.914 0.138 0.000 2.287 414 V HA -0.252 3.868 4.120 0.000 0.000 0.248 414 V C 2.318 178.321 176.094 -0.152 0.000 1.053 414 V CA 1.745 64.005 62.300 -0.067 0.000 1.027 414 V CB -0.425 31.371 31.823 -0.045 0.000 0.646 414 V HN 0.299 nan 8.190 nan 0.000 0.447 415 L N -0.480 120.724 121.223 -0.032 0.000 2.079 415 L HA -0.209 4.131 4.340 0.000 0.000 0.210 415 L C 2.719 179.607 176.870 0.029 0.000 1.081 415 L CA 1.225 56.052 54.840 -0.022 0.000 0.752 415 L CB -0.684 41.373 42.059 -0.003 0.000 0.896 415 L HN 0.320 nan 8.230 nan 0.000 0.433 416 Q N -0.177 119.684 119.800 0.101 0.000 2.226 416 Q HA -0.161 4.179 4.340 0.000 0.000 0.204 416 Q C 1.262 177.371 176.000 0.182 0.000 0.975 416 Q CA 1.240 57.127 55.803 0.140 0.000 0.866 416 Q CB -0.361 28.472 28.738 0.158 0.000 0.915 416 Q HN 0.742 nan 8.270 nan 0.000 0.440 417 H N -1.741 117.350 119.070 0.035 0.000 2.492 417 H HA 0.275 4.831 4.556 0.000 0.000 0.264 417 H C 1.071 176.419 175.328 0.033 0.000 1.150 417 H CA -0.040 56.026 56.048 0.030 0.000 0.962 417 H CB -0.077 29.697 29.762 0.019 0.000 1.766 417 H HN 0.179 nan 8.280 nan 0.000 0.589 418 K N 1.500 121.854 120.400 -0.077 0.000 2.074 418 K HA -0.213 4.107 4.320 0.000 0.000 0.209 418 K C 1.278 177.873 176.600 -0.008 0.000 1.048 418 K CA 1.931 58.170 56.287 -0.081 0.000 0.926 418 K CB -0.012 32.466 32.500 -0.037 0.000 0.713 418 K HN 0.269 nan 8.250 nan 0.000 0.444 419 E N 1.280 121.503 120.200 0.038 0.000 2.208 419 E HA -0.109 4.241 4.350 0.000 0.000 0.193 419 E C 2.093 178.755 176.600 0.103 0.000 0.988 419 E CA 1.154 57.591 56.400 0.062 0.000 0.828 419 E CB -0.338 29.399 29.700 0.061 0.000 0.763 419 E HN 0.472 nan 8.360 nan 0.000 0.478 420 A N 2.138 125.033 122.820 0.124 0.000 1.855 420 A HA -0.082 4.238 4.320 0.000 0.000 0.215 420 A C 2.433 180.126 177.584 0.182 0.000 1.191 420 A CA 1.280 53.423 52.037 0.177 0.000 0.613 420 A CB -0.730 18.370 19.000 0.167 0.000 0.829 420 A HN 0.191 nan 8.150 nan 0.000 0.442 421 I N -0.335 120.284 120.570 0.081 0.000 2.127 421 I HA -0.290 3.880 4.170 0.000 0.000 0.241 421 I C 2.359 178.538 176.117 0.103 0.000 1.075 421 I CA 1.603 62.933 61.300 0.050 0.000 1.334 421 I CB -0.401 37.565 38.000 -0.056 0.000 1.040 421 I HN 0.307 nan 8.210 nan 0.000 0.405 422 I N 0.602 121.216 120.570 0.074 0.000 2.226 422 I HA -0.286 3.884 4.170 0.000 0.000 0.245 422 I C 2.808 178.986 176.117 0.102 0.000 1.100 422 I CA 1.711 63.049 61.300 0.063 0.000 1.374 422 I CB -0.419 37.599 38.000 0.031 0.000 1.057 422 I HN 0.320 nan 8.210 nan 0.000 0.413 423 S N -0.040 115.742 115.700 0.135 0.000 2.382 423 S HA -0.262 4.208 4.470 0.000 0.000 0.228 423 S C 1.902 176.593 174.600 0.151 0.000 1.027 423 S CA 1.411 59.685 58.200 0.123 0.000 0.991 423 S CB -0.720 62.546 63.200 0.110 0.000 0.823 423 S HN 0.464 nan 8.310 nan 0.000 0.469 424 H N 1.251 120.398 119.070 0.128 0.000 2.363 424 H HA 0.266 4.822 4.556 0.000 0.000 0.301 424 H C 2.058 177.535 175.328 0.250 0.000 1.074 424 H CA 1.419 57.593 56.048 0.210 0.000 1.354 424 H CB -0.415 29.447 29.762 0.167 0.000 1.397 424 H HN 0.247 nan 8.280 nan 0.000 0.516 425 L N -0.597 120.785 121.223 0.264 0.000 2.079 425 L HA -0.225 4.115 4.340 0.000 0.000 0.210 425 L C 2.547 179.474 176.870 0.094 0.000 1.081 425 L CA 1.343 56.283 54.840 0.167 0.000 0.752 425 L CB -0.337 41.765 42.059 0.071 0.000 0.896 425 L HN 0.284 nan 8.230 nan 0.000 0.433 426 S N -0.835 114.918 115.700 0.087 0.000 2.368 426 S HA -0.259 4.211 4.470 0.000 0.000 0.225 426 S C 1.689 176.330 174.600 0.067 0.000 1.030 426 S CA 1.376 59.597 58.200 0.035 0.000 0.999 426 S CB -0.389 62.836 63.200 0.042 0.000 0.844 426 S HN 0.566 nan 8.310 nan 0.000 0.459 427 W N 2.086 123.377 121.300 -0.014 0.000 2.354 427 W HA -0.117 4.543 4.660 0.000 0.000 0.315 427 W C 1.916 178.480 176.519 0.075 0.000 1.206 427 W CA 1.681 59.023 57.345 -0.005 0.000 1.290 427 W CB -0.861 28.537 29.460 -0.103 0.000 1.152 427 W HN 0.102 nan 8.180 nan 0.000 0.489 428 V N 0.853 120.655 119.914 -0.187 0.000 2.332 428 V HA -0.359 3.761 4.120 0.000 0.000 0.248 428 V C 2.405 178.302 176.094 -0.329 0.000 1.055 428 V CA 2.306 64.353 62.300 -0.422 0.000 1.038 428 V CB -1.513 30.232 31.823 -0.129 0.000 0.651 428 V HN 0.223 nan 8.190 nan 0.000 0.450 429 S N -0.010 115.567 115.700 -0.205 0.000 2.348 429 S HA -0.143 4.327 4.470 0.000 0.000 0.221 429 S C 1.914 176.372 174.600 -0.237 0.000 1.033 429 S CA 1.345 59.417 58.200 -0.212 0.000 1.010 429 S CB -0.427 62.641 63.200 -0.220 0.000 0.891 429 S HN 0.338 nan 8.310 nan 0.000 0.442 430 L N 0.832 121.919 121.223 -0.227 0.000 2.012 430 L HA -0.046 4.294 4.340 0.000 0.000 0.210 430 L C 2.011 178.826 176.870 -0.091 0.000 1.073 430 L CA 1.583 56.264 54.840 -0.266 0.000 0.748 430 L CB -1.255 40.756 42.059 -0.080 0.000 0.891 430 L HN 0.261 nan 8.230 nan 0.000 0.431 431 F N -0.235 119.517 119.950 -0.330 0.000 2.046 431 F HA -0.233 4.294 4.527 0.000 0.000 0.297 431 F C 2.370 178.134 175.800 -0.060 0.000 1.123 431 F CA 1.546 59.403 58.000 -0.237 0.000 1.199 431 F CB -0.747 37.775 39.000 -0.797 0.000 0.972 431 F HN -0.012 nan 8.300 nan 0.000 0.474 432 L N -0.194 120.884 121.223 -0.241 0.000 2.013 432 L HA -0.210 4.130 4.340 0.000 0.000 0.212 432 L C 2.749 179.535 176.870 -0.140 0.000 1.073 432 L CA 1.623 56.312 54.840 -0.253 0.000 0.753 432 L CB -1.524 40.405 42.059 -0.218 0.000 0.890 432 L HN 0.365 nan 8.230 nan 0.000 0.432 433 G N -0.838 107.876 108.800 -0.142 0.000 2.433 433 G HA2 -0.255 3.705 3.960 0.000 0.000 0.216 433 G HA3 -0.255 3.705 3.960 0.000 0.000 0.216 433 G C 1.487 176.331 174.900 -0.093 0.000 1.186 433 G CA 0.533 45.562 45.100 -0.118 0.000 0.779 433 G HN 0.242 nan 8.290 nan 0.000 0.543 434 F N 0.498 120.341 119.950 -0.178 0.000 2.120 434 F HA -0.135 4.392 4.527 0.000 0.000 0.300 434 F C 2.794 178.378 175.800 -0.359 0.000 1.095 434 F CA 1.645 59.479 58.000 -0.277 0.000 1.249 434 F CB -0.101 38.658 39.000 -0.401 0.000 0.995 434 F HN 0.223 nan 8.300 nan 0.000 0.480 435 H N -1.764 117.368 119.070 0.103 0.000 2.384 435 H HA -0.067 4.489 4.556 0.000 0.000 0.300 435 H C 2.202 177.504 175.328 -0.043 0.000 1.057 435 H CA 1.616 57.651 56.048 -0.021 0.000 1.370 435 H CB -0.517 29.142 29.762 -0.172 0.000 1.417 435 H HN 0.022 nan 8.280 nan 0.000 0.527 436 T N 1.349 115.915 114.554 0.020 0.000 2.708 436 T HA -0.142 4.208 4.350 0.000 0.000 0.266 436 T C 2.014 176.780 174.700 0.109 0.000 1.037 436 T CA 1.250 63.356 62.100 0.011 0.000 1.146 436 T CB -0.334 68.536 68.868 0.003 0.000 0.865 436 T HN 0.113 nan 8.240 nan 0.000 0.435 437 L N 1.520 122.800 121.223 0.096 0.000 2.083 437 L HA 0.131 4.472 4.340 0.000 0.000 0.209 437 L C 2.501 179.458 176.870 0.144 0.000 1.083 437 L CA 1.964 56.881 54.840 0.129 0.000 0.752 437 L CB -1.139 40.965 42.059 0.075 0.000 0.899 437 L HN 0.267 nan 8.230 nan 0.000 0.433 438 G N -0.182 108.681 108.800 0.105 0.000 2.418 438 G HA2 -0.225 3.735 3.960 0.000 0.000 0.217 438 G HA3 -0.225 3.735 3.960 0.000 0.000 0.217 438 G C 1.557 176.524 174.900 0.112 0.000 1.158 438 G CA 1.130 46.290 45.100 0.101 0.000 0.771 438 G HN 0.438 nan 8.290 nan 0.000 0.545 439 L N -1.195 120.069 121.223 0.068 0.000 2.056 439 L HA -0.053 4.287 4.340 0.000 0.000 0.207 439 L C 2.690 179.614 176.870 0.089 0.000 1.078 439 L CA 0.999 55.857 54.840 0.030 0.000 0.749 439 L CB -0.584 41.429 42.059 -0.077 0.000 0.901 439 L HN 0.215 nan 8.230 nan 0.000 0.433 440 Y N -0.304 120.040 120.300 0.073 0.000 2.181 440 Y HA -0.234 4.316 4.550 0.000 0.000 0.288 440 Y C 2.602 178.555 175.900 0.089 0.000 1.146 440 Y CA 1.201 59.348 58.100 0.078 0.000 1.164 440 Y CB -0.288 38.178 38.460 0.011 0.000 0.982 440 Y HN -0.124 nan 8.280 nan 0.000 0.515 441 V N -0.551 119.504 119.914 0.235 0.000 2.427 441 V HA -0.324 3.796 4.120 0.000 0.000 0.248 441 V C 2.065 178.220 176.094 0.103 0.000 1.051 441 V CA 2.308 64.691 62.300 0.138 0.000 1.048 441 V CB -0.803 31.082 31.823 0.104 0.000 0.666 441 V HN 0.495 nan 8.190 nan 0.000 0.456 442 H N 1.375 120.469 119.070 0.041 0.000 2.290 442 H HA -0.163 4.393 4.556 0.000 0.000 0.298 442 H C 2.250 177.573 175.328 -0.009 0.000 1.087 442 H CA 2.403 58.455 56.048 0.006 0.000 1.291 442 H CB -0.131 29.635 29.762 0.006 0.000 1.369 442 H HN 0.371 nan 8.280 nan 0.000 0.492 443 N N 0.803 119.534 118.700 0.052 0.000 2.069 443 N HA -0.162 4.578 4.740 0.000 0.000 0.191 443 N C 1.616 177.079 175.510 -0.077 0.000 1.031 443 N CA 1.404 54.446 53.050 -0.014 0.000 0.852 443 N CB -0.517 38.059 38.487 0.148 0.000 1.018 443 N HN 0.526 nan 8.380 nan 0.000 0.423 444 D N 0.475 120.904 120.400 0.048 0.000 2.106 444 D HA -0.110 4.530 4.640 0.000 0.000 0.191 444 D C 2.003 178.184 176.300 -0.198 0.000 0.997 444 D CA 0.990 54.997 54.000 0.013 0.000 0.834 444 D CB -0.074 40.784 40.800 0.098 0.000 0.956 444 D HN 0.012 nan 8.370 nan 0.000 0.448 445 V N 0.969 120.726 119.914 -0.262 0.000 2.255 445 V HA -0.211 3.909 4.120 0.000 0.000 0.247 445 V C 2.682 178.436 176.094 -0.567 0.000 1.051 445 V CA 1.114 63.117 62.300 -0.495 0.000 1.018 445 V CB -0.602 30.976 31.823 -0.409 0.000 0.641 445 V HN 0.048 nan 8.190 nan 0.000 0.445 446 V N -0.410 119.259 119.914 -0.408 0.000 2.332 446 V HA -0.227 3.894 4.120 0.000 0.000 0.248 446 V C 2.397 178.361 176.094 -0.217 0.000 1.055 446 V CA 2.118 64.245 62.300 -0.288 0.000 1.038 446 V CB -0.065 31.512 31.823 -0.409 0.000 0.651 446 V HN 0.412 nan 8.190 nan 0.000 0.450 447 V N -0.111 119.622 119.914 -0.301 0.000 2.427 447 V HA -0.181 3.939 4.120 0.000 0.000 0.248 447 V C 2.612 178.555 176.094 -0.253 0.000 1.051 447 V CA 1.758 63.850 62.300 -0.347 0.000 1.048 447 V CB -0.911 30.479 31.823 -0.723 0.000 0.666 447 V HN 0.580 nan 8.190 nan 0.000 0.456 448 A N -0.561 122.102 122.820 -0.262 0.000 1.972 448 A HA -0.134 4.186 4.320 0.000 0.000 0.219 448 A C 1.751 179.369 177.584 0.057 0.000 1.169 448 A CA 1.450 53.392 52.037 -0.158 0.000 0.635 448 A CB -0.541 18.301 19.000 -0.264 0.000 0.810 448 A HN 0.485 nan 8.150 nan 0.000 0.446 449 F N -0.157 119.737 119.950 -0.093 0.000 2.693 449 F HA 0.337 4.864 4.527 0.000 0.000 0.303 449 F C 1.846 177.603 175.800 -0.072 0.000 1.143 449 F CA -0.257 57.700 58.000 -0.072 0.000 1.389 449 F CB -0.873 38.085 39.000 -0.069 0.000 1.060 449 F HN 0.363 nan 8.300 nan 0.000 0.535 450 G N 0.655 109.508 108.800 0.089 0.000 2.148 450 G HA2 -0.278 3.682 3.960 0.000 0.000 0.254 450 G HA3 -0.278 3.682 3.960 0.000 0.000 0.254 450 G C 0.462 175.363 174.900 0.001 0.000 0.981 450 G CA 0.550 45.663 45.100 0.023 0.000 0.670 450 G HN 0.489 nan 8.290 nan 0.000 0.528 451 T N -2.107 112.444 114.554 -0.004 0.000 3.466 451 T HA 0.642 4.992 4.350 0.000 0.000 0.297 451 T C -0.976 173.690 174.700 -0.058 0.000 1.640 451 T CA -0.734 61.354 62.100 -0.020 0.000 1.631 451 T CB 2.077 70.948 68.868 0.005 0.000 0.928 451 T HN 0.071 nan 8.240 nan 0.000 0.688 452 P HA -0.161 nan 4.420 nan 0.000 0.222 452 P C 1.503 178.771 177.300 -0.054 0.000 1.147 452 P CA 1.062 64.105 63.100 -0.095 0.000 0.790 452 P CB 0.274 31.918 31.700 -0.092 0.000 0.780 453 E N 1.432 121.611 120.200 -0.034 0.000 2.338 453 E HA -0.161 4.189 4.350 0.000 0.000 0.197 453 E C 1.200 177.796 176.600 -0.006 0.000 1.007 453 E CA 0.966 57.355 56.400 -0.019 0.000 0.849 453 E CB -0.591 29.100 29.700 -0.014 0.000 0.774 453 E HN 0.310 nan 8.360 nan 0.000 0.506 454 K N 0.650 121.045 120.400 -0.008 0.000 2.444 454 K HA 0.091 4.411 4.320 0.000 0.000 0.193 454 K C 0.622 177.276 176.600 0.090 0.000 1.024 454 K CA -0.105 56.199 56.287 0.028 0.000 1.077 454 K CB 0.235 32.738 32.500 0.004 0.000 0.833 454 K HN 0.195 nan 8.250 nan 0.000 0.517 455 Q N 0.728 120.551 119.800 0.037 0.000 2.454 455 Q HA 0.154 4.494 4.340 0.000 0.000 0.247 455 Q C -0.212 175.862 176.000 0.124 0.000 1.028 455 Q CA 0.182 56.041 55.803 0.094 0.000 0.910 455 Q CB 0.881 29.636 28.738 0.029 0.000 1.276 455 Q HN 0.171 nan 8.270 nan 0.000 0.489 456 I N 3.311 123.967 120.570 0.143 0.000 2.291 456 I HA 0.190 4.360 4.170 0.000 0.000 0.290 456 I C -0.738 175.340 176.117 -0.066 0.000 1.050 456 I CA -0.113 61.173 61.300 -0.024 0.000 1.245 456 I CB 0.288 38.206 38.000 -0.137 0.000 1.405 456 I HN 0.258 nan 8.210 nan 0.000 0.478 457 L N 7.550 128.711 121.223 -0.103 0.000 2.342 457 L HA 0.516 4.856 4.340 0.000 0.000 0.276 457 L C -0.742 175.981 176.870 -0.245 0.000 0.997 457 L CA -0.739 54.018 54.840 -0.137 0.000 0.838 457 L CB 1.559 43.571 42.059 -0.079 0.000 1.224 457 L HN 0.395 nan 8.230 nan 0.000 0.416 458 I N 2.907 123.209 120.570 -0.447 0.000 2.331 458 I HA 0.219 4.389 4.170 0.000 0.000 0.292 458 I C 0.595 176.340 176.117 -0.621 0.000 0.998 458 I CA -0.342 60.537 61.300 -0.701 0.000 1.267 458 I CB 1.158 38.329 38.000 -1.382 0.000 1.386 458 I HN 0.429 nan 8.210 nan 0.000 0.476 459 E N 7.758 127.726 120.200 -0.387 0.000 2.344 459 E HA 0.162 4.512 4.350 0.000 0.000 0.270 459 E C -2.062 174.409 176.600 -0.215 0.000 1.021 459 E CA -1.602 54.668 56.400 -0.216 0.000 0.887 459 E CB 0.488 30.116 29.700 -0.120 0.000 0.997 459 E HN 0.220 nan 8.360 nan 0.000 0.429 460 P HA -0.029 nan 4.420 nan 0.000 0.225 460 P C 1.181 178.434 177.300 -0.078 0.000 1.768 460 P CA 0.078 63.209 63.100 0.052 0.000 0.943 460 P CB -0.247 31.525 31.700 0.119 0.000 1.936 461 V N -3.163 116.628 119.914 -0.204 0.000 2.407 461 V HA -0.255 3.865 4.120 0.000 0.000 0.248 461 V C 1.769 177.812 176.094 -0.084 0.000 1.055 461 V CA 1.450 63.665 62.300 -0.143 0.000 1.049 461 V CB -1.865 29.881 31.823 -0.127 0.000 0.662 461 V HN 0.141 nan 8.190 nan 0.000 0.455 462 F N 1.417 121.387 119.950 0.035 0.000 2.186 462 F HA 0.077 4.604 4.527 0.000 0.000 0.299 462 F C 2.794 178.605 175.800 0.019 0.000 1.090 462 F CA 1.025 59.055 58.000 0.049 0.000 1.307 462 F CB -0.552 38.496 39.000 0.081 0.000 1.019 462 F HN 0.282 nan 8.300 nan 0.000 0.489 463 A N 0.213 123.110 122.820 0.129 0.000 1.873 463 A HA -0.209 4.111 4.320 0.000 0.000 0.215 463 A C 2.085 179.593 177.584 -0.127 0.000 1.186 463 A CA 1.429 53.480 52.037 0.023 0.000 0.616 463 A CB -0.828 18.178 19.000 0.011 0.000 0.823 463 A HN 0.382 nan 8.150 nan 0.000 0.442 464 Q N -1.581 118.069 119.800 -0.251 0.000 2.096 464 Q HA -0.180 4.160 4.340 0.000 0.000 0.204 464 Q C 1.889 177.574 176.000 -0.526 0.000 0.982 464 Q CA 1.688 57.109 55.803 -0.636 0.000 0.850 464 Q CB -0.380 27.862 28.738 -0.827 0.000 0.901 464 Q HN 0.758 nan 8.270 nan 0.000 0.422 465 F N 1.281 120.823 119.950 -0.680 0.000 2.126 465 F HA -0.215 4.312 4.527 0.000 0.000 0.299 465 F C 1.721 177.224 175.800 -0.495 0.000 1.096 465 F CA 1.317 58.749 58.000 -0.947 0.000 1.255 465 F CB -0.257 38.236 39.000 -0.844 0.000 0.997 465 F HN -0.024 nan 8.300 nan 0.000 0.479 466 I N 0.291 120.419 120.570 -0.735 0.000 2.226 466 I HA -0.311 3.859 4.170 0.000 0.000 0.245 466 I C 2.424 178.006 176.117 -0.890 0.000 1.100 466 I CA 1.458 62.240 61.300 -0.863 0.000 1.374 466 I CB -0.735 37.002 38.000 -0.439 0.000 1.057 466 I HN 0.282 nan 8.210 nan 0.000 0.413 467 Q N 0.732 120.227 119.800 -0.508 0.000 2.084 467 Q HA -0.191 4.149 4.340 0.000 0.000 0.202 467 Q C 2.505 178.380 176.000 -0.209 0.000 0.978 467 Q CA 1.712 57.306 55.803 -0.349 0.000 0.844 467 Q CB -0.279 28.477 28.738 0.029 0.000 0.898 467 Q HN 0.580 nan 8.270 nan 0.000 0.426 468 A N 1.496 124.234 122.820 -0.136 0.000 1.865 468 A HA -0.161 4.160 4.320 0.000 0.000 0.217 468 A C 2.380 179.893 177.584 -0.118 0.000 1.191 468 A CA 1.725 53.785 52.037 0.038 0.000 0.623 468 A CB -0.965 18.166 19.000 0.217 0.000 0.826 468 A HN 0.407 nan 8.150 nan 0.000 0.444 469 A N -0.883 121.675 122.820 -0.437 0.000 2.032 469 A HA -0.237 4.083 4.320 0.000 0.000 0.221 469 A C 1.773 179.269 177.584 -0.147 0.000 1.165 469 A CA 1.791 53.597 52.037 -0.385 0.000 0.645 469 A CB -1.048 17.518 19.000 -0.724 0.000 0.807 469 A HN 0.804 nan 8.150 nan 0.000 0.453 470 H N -2.178 116.804 119.070 -0.147 0.000 2.547 470 H HA 0.295 4.851 4.556 0.000 0.000 0.266 470 H C 1.570 177.015 175.328 0.195 0.000 0.988 470 H CA 0.132 56.179 56.048 -0.002 0.000 1.147 470 H CB 0.290 29.938 29.762 -0.190 0.000 1.365 470 H HN 0.660 nan 8.280 nan 0.000 0.589 471 G N 1.170 110.091 108.800 0.201 0.000 2.192 471 G HA2 -0.254 3.706 3.960 0.000 0.000 0.193 471 G HA3 -0.254 3.706 3.960 0.000 0.000 0.193 471 G C 0.169 175.144 174.900 0.125 0.000 0.999 471 G CA -0.372 44.843 45.100 0.192 0.000 0.659 471 G HN 0.305 nan 8.290 nan 0.000 0.503 472 K N 1.533 121.999 120.400 0.110 0.000 2.315 472 K HA 0.560 4.880 4.320 0.000 0.000 0.291 472 K C 1.743 178.419 176.600 0.125 0.000 1.074 472 K CA -0.578 55.770 56.287 0.102 0.000 0.936 472 K CB 0.040 32.626 32.500 0.144 0.000 1.049 472 K HN 0.210 nan 8.250 nan 0.000 0.471 473 L N 4.402 125.666 121.223 0.070 0.000 2.093 473 L HA -0.178 4.162 4.340 0.000 0.000 0.208 473 L C 2.061 178.939 176.870 0.014 0.000 1.085 473 L CA 0.374 55.252 54.840 0.063 0.000 0.755 473 L CB -0.503 41.578 42.059 0.037 0.000 0.904 473 L HN 0.680 nan 8.230 nan 0.000 0.435 474 L N -0.095 121.073 121.223 -0.093 0.000 2.082 474 L HA -0.329 4.011 4.340 0.000 0.000 0.223 474 L C 2.263 178.975 176.870 -0.264 0.000 1.086 474 L CA 2.201 56.892 54.840 -0.248 0.000 0.793 474 L CB -0.622 41.164 42.059 -0.455 0.000 0.896 474 L HN 0.211 nan 8.230 nan 0.000 0.441 475 Y N -0.526 119.831 120.300 0.095 0.000 2.544 475 Y HA 0.298 4.848 4.550 0.000 0.000 0.286 475 Y C 1.823 177.692 175.900 -0.051 0.000 1.141 475 Y CA 0.350 58.502 58.100 0.087 0.000 1.299 475 Y CB -0.475 38.174 38.460 0.314 0.000 1.030 475 Y HN 0.293 nan 8.280 nan 0.000 0.543 476 G N 0.159 109.031 108.800 0.120 0.000 2.273 476 G HA2 -0.336 3.624 3.960 0.000 0.000 0.280 476 G HA3 -0.336 3.624 3.960 0.000 0.000 0.280 476 G C 0.427 175.326 174.900 -0.002 0.000 1.047 476 G CA 0.370 45.491 45.100 0.035 0.000 0.869 476 G HN 0.478 nan 8.290 nan 0.000 0.502 477 F N 0.064 120.113 119.950 0.165 0.000 2.710 477 F HA 0.173 4.700 4.527 0.000 0.000 0.298 477 F C 1.580 177.465 175.800 0.140 0.000 1.137 477 F CA 0.490 58.592 58.000 0.169 0.000 1.444 477 F CB 0.175 39.330 39.000 0.258 0.000 1.111 477 F HN 0.399 nan 8.300 nan 0.000 0.580 478 D N 1.451 122.004 120.400 0.255 0.000 2.886 478 D HA -0.199 4.441 4.640 0.000 0.000 0.221 478 D C -0.843 175.571 176.300 0.190 0.000 1.227 478 D CA 1.100 55.206 54.000 0.176 0.000 0.746 478 D CB -0.580 40.287 40.800 0.112 0.000 0.935 478 D HN 0.286 nan 8.370 nan 0.000 0.399 479 T N -0.271 114.409 114.554 0.211 0.000 2.923 479 T HA 0.543 4.893 4.350 0.000 0.000 0.311 479 T C -0.087 174.698 174.700 0.141 0.000 1.183 479 T CA -0.997 61.219 62.100 0.193 0.000 1.020 479 T CB 1.098 70.141 68.868 0.291 0.000 1.165 479 T HN 0.498 nan 8.240 nan 0.000 0.482 480 L N 2.944 124.236 121.223 0.115 0.000 4.289 480 L HA -0.267 4.073 4.340 0.000 0.000 0.560 480 L C 1.125 178.049 176.870 0.090 0.000 1.003 480 L CA 0.120 55.013 54.840 0.088 0.000 0.793 480 L CB -1.042 41.055 42.059 0.063 0.000 0.562 480 L HN 0.952 nan 8.230 nan 0.000 1.014 481 L N -0.259 121.025 121.223 0.101 0.000 5.337 481 L HA -0.371 3.969 4.340 0.000 0.000 0.446 481 L C 1.561 178.509 176.870 0.129 0.000 1.007 481 L CA 1.419 56.334 54.840 0.125 0.000 1.109 481 L CB -1.296 40.858 42.059 0.159 0.000 1.666 481 L HN 0.818 nan 8.230 nan 0.000 0.714 482 S N -0.840 114.930 115.700 0.118 0.000 2.524 482 S HA 0.132 4.602 4.470 0.000 0.000 0.215 482 S C 0.610 175.279 174.600 0.114 0.000 0.986 482 S CA -0.041 58.233 58.200 0.124 0.000 0.911 482 S CB 0.064 63.352 63.200 0.146 0.000 0.805 482 S HN 0.452 nan 8.310 nan 0.000 0.501 483 N N 1.686 120.450 118.700 0.106 0.000 2.626 483 N HA 0.296 5.036 4.740 0.000 0.000 0.249 483 N C -2.234 173.325 175.510 0.082 0.000 1.021 483 N CA -1.912 51.193 53.050 0.092 0.000 0.886 483 N CB 1.945 40.489 38.487 0.095 0.000 1.149 483 N HN 0.039 nan 8.380 nan 0.000 0.517 484 P HA -0.094 nan 4.420 nan 0.000 0.222 484 P C 0.051 177.392 177.300 0.069 0.000 1.142 484 P CA 1.142 64.283 63.100 0.068 0.000 0.788 484 P CB 0.592 32.327 31.700 0.058 0.000 0.767 485 D N -0.822 119.617 120.400 0.066 0.000 2.360 485 D HA 0.023 4.664 4.640 0.000 0.000 0.210 485 D C 0.797 177.136 176.300 0.066 0.000 1.047 485 D CA 0.232 54.271 54.000 0.065 0.000 0.854 485 D CB 0.165 40.995 40.800 0.050 0.000 0.936 485 D HN 0.127 nan 8.370 nan 0.000 0.514 486 S N 0.833 116.575 115.700 0.069 0.000 2.568 486 S HA 0.036 4.506 4.470 0.000 0.000 0.282 486 S C 1.490 176.134 174.600 0.073 0.000 1.338 486 S CA -0.501 57.739 58.200 0.068 0.000 1.045 486 S CB 0.650 63.897 63.200 0.077 0.000 0.873 486 S HN 0.172 nan 8.310 nan 0.000 0.516 487 I N 4.244 124.853 120.570 0.065 0.000 2.335 487 I HA -0.174 3.996 4.170 0.000 0.000 0.251 487 I C 2.144 178.311 176.117 0.083 0.000 1.129 487 I CA 1.714 63.065 61.300 0.085 0.000 1.402 487 I CB -0.576 37.468 38.000 0.074 0.000 1.069 487 I HN 0.850 nan 8.210 nan 0.000 0.424 488 A N -0.145 122.719 122.820 0.074 0.000 1.877 488 A HA -0.190 4.130 4.320 0.000 0.000 0.216 488 A C 2.368 179.989 177.584 0.063 0.000 1.186 488 A CA 2.097 54.176 52.037 0.070 0.000 0.620 488 A CB -0.833 18.211 19.000 0.074 0.000 0.822 488 A HN 0.497 nan 8.150 nan 0.000 0.443 489 S N -0.487 115.255 115.700 0.070 0.000 2.423 489 S HA -0.115 4.355 4.470 0.000 0.000 0.231 489 S C 2.031 176.663 174.600 0.053 0.000 1.014 489 S CA 1.788 60.026 58.200 0.064 0.000 0.965 489 S CB -0.432 62.814 63.200 0.077 0.000 0.785 489 S HN 0.907 nan 8.310 nan 0.000 0.495 490 T N -1.371 113.231 114.554 0.080 0.000 3.040 490 T HA 0.507 4.857 4.350 0.000 0.000 0.252 490 T C 1.094 175.817 174.700 0.038 0.000 1.064 490 T CA 0.680 62.858 62.100 0.130 0.000 1.110 490 T CB -0.314 68.690 68.868 0.226 0.000 0.921 490 T HN 0.634 nan 8.240 nan 0.000 0.480 491 A N 0.502 123.311 122.820 -0.020 0.000 2.846 491 A HA -0.166 4.154 4.320 0.000 0.000 0.287 491 A C 0.926 178.316 177.584 -0.324 0.000 1.469 491 A CA 1.267 53.238 52.037 -0.111 0.000 0.757 491 A CB -2.928 15.984 19.000 -0.147 0.000 1.033 491 A HN 0.905 nan 8.150 nan 0.000 0.516 492 W N 0.797 121.852 121.300 -0.408 0.000 2.362 492 W HA -0.399 4.261 4.660 0.000 0.000 0.357 492 W C -0.187 175.793 176.519 -0.899 0.000 1.546 492 W CA 3.969 60.937 57.345 -0.628 0.000 1.450 492 W CB -1.935 27.376 29.460 -0.249 0.000 1.009 492 W HN 0.478 nan 8.180 nan 0.000 0.478 493 P HA -0.270 nan 4.420 nan 0.000 0.216 493 P C 1.117 177.857 177.300 -0.933 0.000 1.157 493 P CA 3.161 65.279 63.100 -1.636 0.000 0.880 493 P CB -0.735 30.286 31.700 -1.131 0.000 0.791 494 N N -1.744 116.548 118.700 -0.681 0.000 2.454 494 N HA -0.110 4.630 4.740 0.000 0.000 0.177 494 N C 0.265 175.663 175.510 -0.186 0.000 1.049 494 N CA 0.130 52.971 53.050 -0.349 0.000 0.887 494 N CB -0.621 37.736 38.487 -0.217 0.000 1.095 494 N HN 0.081 nan 8.380 nan 0.000 0.446 495 Y N 0.422 120.621 120.300 -0.169 0.000 3.589 495 Y HA -0.157 4.393 4.550 0.000 0.000 0.218 495 Y C 1.397 177.176 175.900 -0.201 0.000 1.234 495 Y CA 0.173 58.182 58.100 -0.152 0.000 1.576 495 Y CB -1.978 36.410 38.460 -0.120 0.000 1.487 495 Y HN 0.357 nan 8.280 nan 0.000 0.616 496 G N -0.516 108.190 108.800 -0.156 0.000 3.141 496 G HA2 -0.043 3.917 3.960 0.000 0.000 0.218 496 G HA3 -0.043 3.917 3.960 0.000 0.000 0.218 496 G C 1.234 175.775 174.900 -0.598 0.000 1.170 496 G CA 0.405 45.358 45.100 -0.245 0.000 0.769 496 G HN 0.420 nan 8.290 nan 0.000 0.546 497 N N 1.019 119.270 118.700 -0.749 0.000 2.043 497 N HA -0.234 4.506 4.740 0.000 0.000 0.195 497 N C 1.958 176.479 175.510 -1.648 0.000 1.052 497 N CA 2.347 54.505 53.050 -1.487 0.000 0.891 497 N CB -0.531 37.451 38.487 -0.842 0.000 1.078 497 N HN 0.147 nan 8.380 nan 0.000 0.532 498 V N -1.338 118.082 119.914 -0.823 0.000 0.434 498 V HA -0.309 3.811 4.120 0.000 0.000 0.092 498 V C 1.500 177.406 176.094 -0.313 0.000 2.581 498 V CA 2.455 64.478 62.300 -0.461 0.000 3.733 498 V CB -1.589 30.024 31.823 -0.350 0.000 1.002 498 V HN 0.665 nan 8.190 nan 0.000 1.053 499 W N 0.620 121.771 121.300 -0.250 0.000 2.584 499 W HA 0.390 5.050 4.660 0.000 0.000 0.264 499 W C 1.705 178.232 176.519 0.013 0.000 1.264 499 W CA 1.042 58.305 57.345 -0.136 0.000 1.306 499 W CB -0.829 28.406 29.460 -0.376 0.000 1.110 499 W HN 0.411 nan 8.180 nan 0.000 0.606 500 L N 2.501 123.600 121.223 -0.206 0.000 2.043 500 L HA -0.058 4.282 4.340 0.000 0.000 0.212 500 L C -0.503 176.473 176.870 0.176 0.000 1.075 500 L CA 2.182 57.060 54.840 0.062 0.000 0.752 500 L CB -1.741 40.239 42.059 -0.132 0.000 0.891 500 L HN -0.188 nan 8.230 nan 0.000 0.432 501 P HA -0.072 nan 4.420 nan 0.000 0.214 501 P C 1.673 179.067 177.300 0.157 0.000 1.162 501 P CA 1.748 64.909 63.100 0.102 0.000 0.879 501 P CB -0.404 31.325 31.700 0.049 0.000 0.786 502 G N -0.693 108.219 108.800 0.188 0.000 2.440 502 G HA2 -0.272 3.688 3.960 0.000 0.000 0.218 502 G HA3 -0.272 3.688 3.960 0.000 0.000 0.218 502 G C 1.521 176.558 174.900 0.229 0.000 1.154 502 G CA 0.444 45.678 45.100 0.225 0.000 0.767 502 G HN 0.275 nan 8.290 nan 0.000 0.552 503 W N 1.059 122.429 121.300 0.117 0.000 2.379 503 W HA -0.008 4.652 4.660 0.000 0.000 0.307 503 W C 2.080 178.647 176.519 0.080 0.000 1.200 503 W CA 0.941 58.338 57.345 0.086 0.000 1.297 503 W CB -0.449 29.102 29.460 0.152 0.000 1.140 503 W HN 0.202 nan 8.180 nan 0.000 0.507 504 L N 0.503 121.839 121.223 0.189 0.000 2.131 504 L HA -0.226 4.114 4.340 0.000 0.000 0.210 504 L C 2.565 179.433 176.870 -0.002 0.000 1.092 504 L CA 1.760 56.646 54.840 0.078 0.000 0.759 504 L CB -1.023 41.132 42.059 0.160 0.000 0.903 504 L HN -0.016 nan 8.230 nan 0.000 0.435 505 D N 0.306 120.728 120.400 0.037 0.000 2.097 505 D HA -0.193 4.447 4.640 0.000 0.000 0.195 505 D C 2.096 178.398 176.300 0.003 0.000 0.989 505 D CA 1.540 55.565 54.000 0.041 0.000 0.827 505 D CB 0.369 41.222 40.800 0.089 0.000 0.966 505 D HN 0.306 nan 8.370 nan 0.000 0.456 506 A N 1.012 123.796 122.820 -0.061 0.000 1.898 506 A HA -0.088 4.232 4.320 0.000 0.000 0.216 506 A C 2.438 179.941 177.584 -0.135 0.000 1.181 506 A CA 0.706 52.697 52.037 -0.076 0.000 0.620 506 A CB -0.690 18.143 19.000 -0.278 0.000 0.819 506 A HN 0.401 nan 8.150 nan 0.000 0.442 507 I N -0.614 119.764 120.570 -0.320 0.000 3.001 507 I HA -0.125 4.045 4.170 0.000 0.000 0.268 507 I C 1.285 177.359 176.117 -0.070 0.000 1.267 507 I CA 0.885 62.042 61.300 -0.239 0.000 1.472 507 I CB -0.044 37.728 38.000 -0.380 0.000 1.089 507 I HN 0.287 nan 8.210 nan 0.000 0.468 508 N N -0.055 118.616 118.700 -0.048 0.000 2.294 508 N HA 0.042 4.782 4.740 0.000 0.000 0.186 508 N C 0.703 176.213 175.510 -0.001 0.000 1.107 508 N CA 0.516 53.558 53.050 -0.013 0.000 0.884 508 N CB 0.389 38.876 38.487 -0.000 0.000 1.030 508 N HN 0.212 nan 8.380 nan 0.000 0.482 509 S N 0.419 116.127 115.700 0.013 0.000 3.919 509 S HA 0.217 4.687 4.470 0.000 0.000 0.245 509 S C 1.143 175.757 174.600 0.023 0.000 1.344 509 S CA -0.704 57.511 58.200 0.027 0.000 0.896 509 S CB -0.325 62.906 63.200 0.051 0.000 1.557 509 S HN 0.201 nan 8.310 nan 0.000 0.468 510 G N 2.508 111.311 108.800 0.005 0.000 3.307 510 G HA2 -0.009 3.951 3.960 0.000 0.000 0.200 510 G HA3 -0.009 3.951 3.960 0.000 0.000 0.200 510 G C 0.825 175.725 174.900 0.000 0.000 1.148 510 G CA 0.501 45.598 45.100 -0.004 0.000 1.387 510 G HN 0.913 nan 8.290 nan 0.000 0.527 511 T N -3.043 111.522 114.554 0.019 0.000 3.215 511 T HA 0.337 4.687 4.350 0.000 0.000 0.271 511 T C 0.463 175.182 174.700 0.031 0.000 1.012 511 T CA -0.246 61.870 62.100 0.027 0.000 0.899 511 T CB 0.018 68.906 68.868 0.035 0.000 1.089 511 T HN 0.466 nan 8.240 nan 0.000 0.552 512 N N -0.740 117.974 118.700 0.024 0.000 3.506 512 N HA 0.421 5.162 4.740 0.000 0.000 0.331 512 N C -0.350 175.165 175.510 0.009 0.000 1.631 512 N CA -0.990 52.070 53.050 0.017 0.000 0.786 512 N CB 0.651 39.138 38.487 -0.001 0.000 2.023 512 N HN -0.097 nan 8.380 nan 0.000 0.621 513 S N -0.862 114.851 115.700 0.021 0.000 2.663 513 S HA 0.252 4.722 4.470 0.000 0.000 0.243 513 S C -0.387 174.173 174.600 -0.066 0.000 1.009 513 S CA -0.366 57.835 58.200 0.003 0.000 0.988 513 S CB -0.517 62.793 63.200 0.183 0.000 0.896 513 S HN 0.466 nan 8.310 nan 0.000 0.502 514 L N 2.494 123.712 121.223 -0.007 0.000 2.462 514 L HA 0.406 4.746 4.340 0.000 0.000 0.283 514 L C -0.797 176.121 176.870 0.081 0.000 1.166 514 L CA 0.145 54.960 54.840 -0.042 0.000 0.964 514 L CB -1.747 40.335 42.059 0.038 0.000 1.294 514 L HN 0.339 nan 8.230 nan 0.000 0.449 515 F N 2.921 122.876 119.950 0.008 0.000 2.860 515 F HA -0.248 4.279 4.527 0.000 0.000 0.355 515 F C 0.488 176.335 175.800 0.079 0.000 1.024 515 F CA 0.070 58.120 58.000 0.084 0.000 1.160 515 F CB -1.487 37.590 39.000 0.129 0.000 1.422 515 F HN 0.312 nan 8.300 nan 0.000 0.766 516 L N 0.595 121.895 121.223 0.127 0.000 2.554 516 L HA -0.044 4.296 4.340 0.000 0.000 0.293 516 L C 1.313 178.273 176.870 0.149 0.000 1.252 516 L CA 0.661 55.531 54.840 0.050 0.000 0.862 516 L CB 0.138 42.131 42.059 -0.110 0.000 1.113 516 L HN 0.243 nan 8.230 nan 0.000 0.510 517 T N 4.492 119.113 114.554 0.112 0.000 2.928 517 T HA 0.357 4.707 4.350 0.000 0.000 0.305 517 T C 0.063 174.884 174.700 0.203 0.000 1.035 517 T CA 0.024 62.243 62.100 0.199 0.000 1.145 517 T CB 0.166 69.073 68.868 0.066 0.000 0.963 517 T HN 0.427 nan 8.240 nan 0.000 0.545 518 I N -0.697 120.054 120.570 0.301 0.000 2.892 518 I HA 0.975 5.145 4.170 0.000 0.000 0.306 518 I C 0.240 176.501 176.117 0.239 0.000 1.078 518 I CA -1.164 60.290 61.300 0.257 0.000 1.032 518 I CB 2.305 40.450 38.000 0.243 0.000 1.229 518 I HN 0.710 nan 8.210 nan 0.000 0.435 519 G N 2.203 111.133 108.800 0.216 0.000 2.947 519 G HA2 0.527 4.487 3.960 0.000 0.000 0.293 519 G HA3 0.527 4.487 3.960 0.000 0.000 0.293 519 G C -2.701 172.283 174.900 0.139 0.000 1.243 519 G CA -0.899 44.290 45.100 0.149 0.000 0.802 519 G HN 0.381 nan 8.290 nan 0.000 0.560 520 P HA -0.040 nan 4.420 nan 0.000 0.216 520 P C 1.998 179.369 177.300 0.119 0.000 1.150 520 P CA 1.995 65.126 63.100 0.051 0.000 0.843 520 P CB 0.033 31.711 31.700 -0.037 0.000 0.787 521 G N 0.015 108.843 108.800 0.046 0.000 2.440 521 G HA2 -0.265 3.695 3.960 0.000 0.000 0.218 521 G HA3 -0.265 3.695 3.960 0.000 0.000 0.218 521 G C 0.995 176.009 174.900 0.188 0.000 1.154 521 G CA 1.229 46.316 45.100 -0.022 0.000 0.767 521 G HN 0.242 nan 8.290 nan 0.000 0.552 522 D N -0.525 120.076 120.400 0.335 0.000 2.219 522 D HA -0.059 4.581 4.640 0.000 0.000 0.205 522 D C 1.831 178.343 176.300 0.354 0.000 0.970 522 D CA 0.479 54.735 54.000 0.425 0.000 0.851 522 D CB -0.151 40.936 40.800 0.479 0.000 0.943 522 D HN 0.339 nan 8.370 nan 0.000 0.488 523 F N 1.099 121.136 119.950 0.145 0.000 2.060 523 F HA -0.095 4.432 4.527 0.000 0.000 0.295 523 F C 1.787 177.701 175.800 0.190 0.000 1.120 523 F CA 1.230 59.315 58.000 0.141 0.000 1.205 523 F CB -0.263 38.752 39.000 0.025 0.000 0.986 523 F HN -0.116 nan 8.300 nan 0.000 0.470 524 L N 0.063 121.387 121.223 0.168 0.000 1.989 524 L HA -0.257 4.083 4.340 0.000 0.000 0.211 524 L C 2.420 179.282 176.870 -0.014 0.000 1.071 524 L CA 1.670 56.467 54.840 -0.072 0.000 0.749 524 L CB -1.008 40.828 42.059 -0.373 0.000 0.890 524 L HN 0.165 nan 8.230 nan 0.000 0.431 525 V N -2.240 117.686 119.914 0.019 0.000 2.332 525 V HA -0.315 3.806 4.120 0.000 0.000 0.248 525 V C 2.196 178.184 176.094 -0.177 0.000 1.055 525 V CA 1.957 64.160 62.300 -0.162 0.000 1.038 525 V CB -1.268 30.252 31.823 -0.506 0.000 0.651 525 V HN 0.410 nan 8.190 nan 0.000 0.450 526 H N -0.198 118.775 119.070 -0.162 0.000 2.457 526 H HA -0.117 4.439 4.556 0.000 0.000 0.297 526 H C 2.289 177.462 175.328 -0.258 0.000 1.092 526 H CA 2.116 58.086 56.048 -0.131 0.000 1.309 526 H CB -0.229 29.466 29.762 -0.112 0.000 1.382 526 H HN 0.593 nan 8.280 nan 0.000 0.535 527 H N -1.468 117.509 119.070 -0.156 0.000 2.512 527 H HA 0.218 4.774 4.556 0.000 0.000 0.279 527 H C 2.105 177.369 175.328 -0.106 0.000 0.999 527 H CA 0.737 56.672 56.048 -0.188 0.000 1.283 527 H CB 0.240 29.787 29.762 -0.357 0.000 1.421 527 H HN 0.393 nan 8.280 nan 0.000 0.554 528 A N 0.590 123.381 122.820 -0.048 0.000 1.897 528 A HA -0.066 4.254 4.320 0.000 0.000 0.215 528 A C 2.188 179.856 177.584 0.139 0.000 1.181 528 A CA 1.048 53.002 52.037 -0.138 0.000 0.620 528 A CB -0.502 18.171 19.000 -0.545 0.000 0.821 528 A HN 0.331 nan 8.150 nan 0.000 0.443 529 I N -0.216 120.409 120.570 0.091 0.000 2.315 529 I HA -0.254 3.917 4.170 0.000 0.000 0.248 529 I C 2.937 179.143 176.117 0.148 0.000 1.117 529 I CA 0.962 62.362 61.300 0.167 0.000 1.404 529 I CB -0.321 37.713 38.000 0.057 0.000 1.071 529 I HN 0.362 nan 8.210 nan 0.000 0.419 530 A N 0.875 123.743 122.820 0.080 0.000 1.902 530 A HA -0.217 4.103 4.320 0.000 0.000 0.217 530 A C 2.257 179.962 177.584 0.203 0.000 1.181 530 A CA 1.453 53.564 52.037 0.125 0.000 0.623 530 A CB -0.780 18.207 19.000 -0.022 0.000 0.818 530 A HN 0.393 nan 8.150 nan 0.000 0.443 531 L N 0.205 121.510 121.223 0.136 0.000 2.079 531 L HA -0.050 4.290 4.340 0.000 0.000 0.210 531 L C 2.275 179.245 176.870 0.165 0.000 1.081 531 L CA 2.402 57.320 54.840 0.129 0.000 0.752 531 L CB -0.998 41.172 42.059 0.186 0.000 0.896 531 L HN 0.276 nan 8.230 nan 0.000 0.433 532 G N -0.539 108.453 108.800 0.320 0.000 2.394 532 G HA2 -0.166 3.794 3.960 0.000 0.000 0.215 532 G HA3 -0.166 3.794 3.960 0.000 0.000 0.215 532 G C 1.558 176.488 174.900 0.050 0.000 1.165 532 G CA 0.845 46.112 45.100 0.279 0.000 0.784 532 G HN 0.420 nan 8.290 nan 0.000 0.535 533 L N -0.397 120.851 121.223 0.042 0.000 2.141 533 L HA -0.053 4.287 4.340 0.000 0.000 0.209 533 L C 2.669 179.417 176.870 -0.204 0.000 1.094 533 L CA 1.100 55.891 54.840 -0.082 0.000 0.763 533 L CB -0.477 41.539 42.059 -0.071 0.000 0.908 533 L HN 0.234 nan 8.230 nan 0.000 0.437 534 H N -0.965 118.016 119.070 -0.149 0.000 2.372 534 H HA -0.075 4.481 4.556 0.000 0.000 0.301 534 H C 2.347 177.488 175.328 -0.312 0.000 1.065 534 H CA 1.768 57.705 56.048 -0.184 0.000 1.364 534 H CB -0.167 29.515 29.762 -0.134 0.000 1.406 534 H HN 0.144 nan 8.280 nan 0.000 0.521 535 T N -0.695 113.641 114.554 -0.364 0.000 2.821 535 T HA -0.121 4.229 4.350 0.000 0.000 0.267 535 T C 1.950 176.227 174.700 -0.705 0.000 1.046 535 T CA 1.686 63.350 62.100 -0.726 0.000 1.139 535 T CB -0.344 67.627 68.868 -1.495 0.000 0.871 535 T HN 0.398 nan 8.240 nan 0.000 0.454 536 T N 1.803 116.045 114.554 -0.520 0.000 2.777 536 T HA -0.085 4.265 4.350 0.000 0.000 0.266 536 T C 2.286 176.717 174.700 -0.450 0.000 1.040 536 T CA 1.426 63.298 62.100 -0.380 0.000 1.141 536 T CB -0.583 68.147 68.868 -0.231 0.000 0.868 536 T HN 0.364 nan 8.240 nan 0.000 0.444 537 T N 2.388 116.672 114.554 -0.451 0.000 2.821 537 T HA 0.008 4.358 4.350 0.000 0.000 0.267 537 T C 1.894 176.333 174.700 -0.434 0.000 1.046 537 T CA 0.674 62.445 62.100 -0.549 0.000 1.139 537 T CB -0.387 68.236 68.868 -0.410 0.000 0.871 537 T HN 0.156 nan 8.240 nan 0.000 0.454 538 L N 1.442 122.465 121.223 -0.333 0.000 1.989 538 L HA 0.001 4.341 4.340 0.000 0.000 0.211 538 L C 2.089 178.810 176.870 -0.249 0.000 1.071 538 L CA 1.679 56.372 54.840 -0.245 0.000 0.749 538 L CB -0.771 41.145 42.059 -0.239 0.000 0.890 538 L HN 0.262 nan 8.230 nan 0.000 0.431 539 I N -0.906 119.478 120.570 -0.309 0.000 2.226 539 I HA -0.324 3.846 4.170 0.000 0.000 0.245 539 I C 2.436 178.420 176.117 -0.223 0.000 1.100 539 I CA 1.498 62.647 61.300 -0.252 0.000 1.374 539 I CB -0.409 37.427 38.000 -0.275 0.000 1.057 539 I HN 0.288 nan 8.210 nan 0.000 0.413 540 L N -0.276 120.751 121.223 -0.325 0.000 2.109 540 L HA -0.141 4.199 4.340 0.000 0.000 0.207 540 L C 2.535 179.312 176.870 -0.155 0.000 1.086 540 L CA 0.788 55.448 54.840 -0.300 0.000 0.760 540 L CB -0.461 41.194 42.059 -0.673 0.000 0.910 540 L HN 0.069 nan 8.230 nan 0.000 0.437 541 V N -0.064 119.726 119.914 -0.207 0.000 2.379 541 V HA -0.233 3.887 4.120 0.000 0.000 0.245 541 V C 2.601 178.689 176.094 -0.010 0.000 1.044 541 V CA 1.515 63.800 62.300 -0.025 0.000 1.036 541 V CB -0.482 31.318 31.823 -0.039 0.000 0.664 541 V HN 0.412 nan 8.190 nan 0.000 0.453 542 K N 0.712 121.080 120.400 -0.053 0.000 2.057 542 K HA -0.153 4.167 4.320 0.000 0.000 0.207 542 K C 2.116 178.711 176.600 -0.007 0.000 1.049 542 K CA 1.847 58.116 56.287 -0.030 0.000 0.931 542 K CB -0.714 31.756 32.500 -0.051 0.000 0.714 542 K HN 0.477 nan 8.250 nan 0.000 0.440 543 G N 0.551 109.342 108.800 -0.014 0.000 2.418 543 G HA2 -0.240 3.720 3.960 0.000 0.000 0.217 543 G HA3 -0.240 3.720 3.960 0.000 0.000 0.217 543 G C 1.643 176.584 174.900 0.069 0.000 1.158 543 G CA 1.143 46.254 45.100 0.018 0.000 0.771 543 G HN 0.463 nan 8.290 nan 0.000 0.545 544 A N 0.556 123.428 122.820 0.087 0.000 1.872 544 A HA 0.186 4.506 4.320 0.000 0.000 0.214 544 A C 2.370 179.997 177.584 0.071 0.000 1.187 544 A CA 1.048 53.151 52.037 0.110 0.000 0.614 544 A CB -0.387 18.699 19.000 0.143 0.000 0.826 544 A HN 0.325 nan 8.150 nan 0.000 0.442 545 L N -0.570 120.681 121.223 0.047 0.000 2.362 545 L HA -0.097 4.244 4.340 0.000 0.000 0.219 545 L C 0.842 177.730 176.870 0.030 0.000 1.134 545 L CA 0.894 55.747 54.840 0.022 0.000 0.807 545 L CB -0.341 41.720 42.059 0.004 0.000 0.927 545 L HN 0.271 nan 8.230 nan 0.000 0.447 546 D N -0.575 119.851 120.400 0.043 0.000 2.398 546 D HA 0.139 4.779 4.640 0.000 0.000 0.210 546 D C 1.985 178.332 176.300 0.078 0.000 1.094 546 D CA 0.513 54.544 54.000 0.051 0.000 0.839 546 D CB 0.518 41.342 40.800 0.039 0.000 0.963 546 D HN 0.106 nan 8.370 nan 0.000 0.506 547 A N 1.200 124.076 122.820 0.093 0.000 1.892 547 A HA -0.246 4.074 4.320 0.000 0.000 0.218 547 A C 2.094 179.764 177.584 0.142 0.000 1.188 547 A CA 1.298 53.417 52.037 0.137 0.000 0.631 547 A CB -0.338 18.753 19.000 0.152 0.000 0.822 547 A HN 0.152 nan 8.150 nan 0.000 0.447 548 R N -1.044 119.519 120.500 0.104 0.000 2.148 548 R HA 0.220 4.560 4.340 0.000 0.000 0.223 548 R C 0.877 177.239 176.300 0.104 0.000 1.088 548 R CA 0.628 56.790 56.100 0.104 0.000 0.985 548 R CB -0.151 30.204 30.300 0.092 0.000 0.880 548 R HN 0.584 nan 8.270 nan 0.000 0.451 549 G N -0.510 108.345 108.800 0.092 0.000 2.361 549 G HA2 0.274 4.234 3.960 0.000 0.000 0.299 549 G HA3 0.274 4.234 3.960 0.000 0.000 0.299 549 G C -1.250 173.688 174.900 0.062 0.000 1.544 549 G CA -0.377 44.771 45.100 0.080 0.000 0.860 549 G HN 0.128 nan 8.290 nan 0.000 0.610 550 S N -0.553 115.178 115.700 0.052 0.000 2.794 550 S HA 0.692 5.162 4.470 0.000 0.000 0.299 550 S C 0.495 175.116 174.600 0.034 0.000 1.179 550 S CA -0.707 57.518 58.200 0.041 0.000 0.838 550 S CB 2.010 65.232 63.200 0.037 0.000 1.206 550 S HN 0.474 nan 8.310 nan 0.000 0.523 551 K N -0.102 120.315 120.400 0.029 0.000 2.103 551 K HA 0.116 4.436 4.320 0.000 0.000 0.204 551 K C 1.785 178.397 176.600 0.020 0.000 1.052 551 K CA 0.814 57.117 56.287 0.026 0.000 0.945 551 K CB -1.019 31.496 32.500 0.024 0.000 0.722 551 K HN 0.506 nan 8.250 nan 0.000 0.443 552 L N -0.026 121.208 121.223 0.018 0.000 2.291 552 L HA 0.100 4.440 4.340 0.000 0.000 0.214 552 L C 0.916 177.788 176.870 0.003 0.000 1.120 552 L CA 1.314 56.161 54.840 0.011 0.000 0.799 552 L CB -0.002 42.065 42.059 0.012 0.000 0.925 552 L HN 0.136 nan 8.230 nan 0.000 0.446 553 M N -0.997 118.608 119.600 0.008 0.000 2.151 553 M HA 0.300 4.781 4.480 0.000 0.000 0.229 553 M C -2.139 174.174 176.300 0.021 0.000 1.029 553 M CA -1.280 54.015 55.300 -0.008 0.000 0.765 553 M CB 1.288 33.872 32.600 -0.027 0.000 1.969 553 M HN -0.197 nan 8.290 nan 0.000 0.352 554 P HA -0.132 nan 4.420 nan 0.000 0.218 554 P C 0.110 177.448 177.300 0.064 0.000 1.148 554 P CA 1.413 64.540 63.100 0.045 0.000 0.822 554 P CB -0.024 31.700 31.700 0.039 0.000 0.784 555 D N -1.667 118.783 120.400 0.083 0.000 2.525 555 D HA 0.032 4.672 4.640 0.000 0.000 0.229 555 D C 1.327 177.746 176.300 0.199 0.000 1.202 555 D CA -0.354 53.725 54.000 0.131 0.000 0.828 555 D CB -0.548 40.350 40.800 0.165 0.000 1.008 555 D HN 0.036 nan 8.370 nan 0.000 0.493 556 K N 1.969 122.451 120.400 0.136 0.000 2.089 556 K HA -0.267 4.053 4.320 0.000 0.000 0.210 556 K C 1.918 178.657 176.600 0.231 0.000 1.048 556 K CA 1.892 58.275 56.287 0.159 0.000 0.926 556 K CB 0.016 32.613 32.500 0.162 0.000 0.714 556 K HN 0.275 nan 8.250 nan 0.000 0.448 557 K N -0.209 120.292 120.400 0.168 0.000 2.218 557 K HA -0.181 4.139 4.320 0.000 0.000 0.205 557 K C 0.927 177.581 176.600 0.090 0.000 1.046 557 K CA 1.887 58.252 56.287 0.130 0.000 0.933 557 K CB -0.106 32.444 32.500 0.084 0.000 0.728 557 K HN 0.125 nan 8.250 nan 0.000 0.454 558 D N 0.281 120.728 120.400 0.078 0.000 2.312 558 D HA -0.059 4.581 4.640 0.000 0.000 0.211 558 D C 0.904 177.012 176.300 -0.320 0.000 0.964 558 D CA 0.797 54.719 54.000 -0.129 0.000 0.877 558 D CB -0.067 40.591 40.800 -0.237 0.000 0.924 558 D HN 0.306 nan 8.370 nan 0.000 0.515 559 F N 0.208 120.035 119.950 -0.206 0.000 2.727 559 F HA 0.339 4.866 4.527 0.000 0.000 0.302 559 F C 1.670 177.388 175.800 -0.138 0.000 1.097 559 F CA 0.142 57.926 58.000 -0.360 0.000 1.330 559 F CB 0.113 38.521 39.000 -0.986 0.000 1.084 559 F HN -0.101 nan 8.300 nan 0.000 0.578 560 G N 0.099 109.003 108.800 0.173 0.000 2.796 560 G HA2 -0.361 3.599 3.960 0.000 0.000 0.571 560 G HA3 -0.361 3.599 3.960 0.000 0.000 0.571 560 G C 0.209 175.368 174.900 0.433 0.000 1.370 560 G CA -0.034 45.215 45.100 0.248 0.000 0.856 560 G HN 0.142 nan 8.290 nan 0.000 0.538 561 Y N 0.695 121.110 120.300 0.191 0.000 2.145 561 Y HA 0.338 4.888 4.550 0.000 0.000 0.286 561 Y C 1.874 177.887 175.900 0.188 0.000 1.145 561 Y CA 2.845 61.042 58.100 0.161 0.000 1.148 561 Y CB -0.405 38.083 38.460 0.047 0.000 0.981 561 Y HN 1.360 nan 8.280 nan 0.000 0.507 562 A N -0.167 122.701 122.820 0.079 0.000 2.342 562 A HA 0.653 4.973 4.320 0.000 0.000 0.323 562 A C -1.544 176.045 177.584 0.009 0.000 1.125 562 A CA -0.250 51.656 52.037 -0.218 0.000 0.785 562 A CB 0.327 19.021 19.000 -0.510 0.000 1.221 562 A HN 0.446 nan 8.150 nan 0.000 0.463 563 F N 0.255 120.096 119.950 -0.182 0.000 2.725 563 F HA 0.606 5.133 4.527 0.000 0.000 0.309 563 F C -2.719 172.988 175.800 -0.155 0.000 1.132 563 F CA -1.996 55.936 58.000 -0.114 0.000 0.957 563 F CB 0.380 39.385 39.000 0.008 0.000 1.286 563 F HN 0.321 nan 8.300 nan 0.000 0.440 564 P HA -0.096 nan 4.420 nan 0.000 0.215 564 P C 0.290 177.528 177.300 -0.102 0.000 1.163 564 P CA 2.886 65.929 63.100 -0.096 0.000 0.894 564 P CB 0.018 31.708 31.700 -0.018 0.000 0.791 565 C N -5.969 113.387 119.300 0.094 0.000 3.222 565 C HA 0.377 4.837 4.460 0.000 0.000 0.296 565 C C -0.838 174.257 174.990 0.176 0.000 1.381 565 C CA -0.365 58.707 59.018 0.090 0.000 1.116 565 C CB 0.008 27.751 27.740 0.005 0.000 1.558 565 C HN 0.118 nan 8.230 nan 0.000 0.398 566 D N 0.263 120.700 120.400 0.061 0.000 2.692 566 D HA 0.496 5.136 4.640 0.000 0.000 0.290 566 D C 0.576 176.873 176.300 -0.005 0.000 1.455 566 D CA 1.779 55.763 54.000 -0.027 0.000 0.796 566 D CB 0.376 41.105 40.800 -0.119 0.000 1.131 566 D HN 2.034 nan 8.370 nan 0.000 0.467 567 G N 1.436 110.250 108.800 0.023 0.000 2.795 567 G HA2 -0.197 3.763 3.960 0.000 0.000 0.664 567 G HA3 -0.197 3.763 3.960 0.000 0.000 0.664 567 G C -1.849 173.070 174.900 0.032 0.000 1.381 567 G CA -0.331 44.786 45.100 0.029 0.000 0.853 567 G HN 0.041 nan 8.290 nan 0.000 0.545 568 P HA 0.150 nan 4.420 nan 0.000 0.245 568 P C 1.292 178.605 177.300 0.022 0.000 1.212 568 P CA 1.352 64.472 63.100 0.033 0.000 0.774 568 P CB -0.016 31.704 31.700 0.034 0.000 0.999 569 G N 0.568 109.378 108.800 0.017 0.000 2.634 569 G HA2 0.118 4.078 3.960 0.000 0.000 0.255 569 G HA3 0.118 4.078 3.960 0.000 0.000 0.255 569 G C 0.266 175.172 174.900 0.009 0.000 1.205 569 G CA -0.532 44.575 45.100 0.012 0.000 0.884 569 G HN 0.068 nan 8.290 nan 0.000 0.549 570 R N -0.813 119.692 120.500 0.008 0.000 3.627 570 R HA -0.262 4.078 4.340 0.000 0.000 0.281 570 R C 1.487 177.792 176.300 0.009 0.000 1.140 570 R CA 1.005 57.110 56.100 0.007 0.000 0.761 570 R CB -1.817 28.485 30.300 0.003 0.000 1.181 570 R HN 2.036 nan 8.270 nan 0.000 0.472 571 G N -1.619 107.187 108.800 0.011 0.000 2.284 571 G HA2 -0.159 3.801 3.960 0.000 0.000 0.230 571 G HA3 -0.159 3.801 3.960 0.000 0.000 0.230 571 G C 0.474 175.384 174.900 0.017 0.000 1.021 571 G CA 0.084 45.191 45.100 0.012 0.000 0.619 571 G HN 1.472 nan 8.290 nan 0.000 0.510 572 G N -2.112 106.700 108.800 0.020 0.000 2.653 572 G HA2 0.531 4.491 3.960 0.000 0.000 0.656 572 G HA3 0.531 4.491 3.960 0.000 0.000 0.656 572 G C 0.096 175.016 174.900 0.032 0.000 1.419 572 G CA 0.782 45.901 45.100 0.032 0.000 0.862 572 G HN 1.908 nan 8.290 nan 0.000 0.639 573 T N -2.230 112.347 114.554 0.038 0.000 3.275 573 T HA 0.352 4.702 4.350 0.000 0.000 0.298 573 T C 1.095 175.811 174.700 0.027 0.000 0.988 573 T CA 0.416 62.533 62.100 0.029 0.000 0.936 573 T CB -0.848 68.030 68.868 0.018 0.000 1.159 573 T HN 1.321 nan 8.240 nan 0.000 0.519 574 C N 2.676 122.008 119.300 0.055 0.000 2.597 574 C HA 0.184 4.644 4.460 0.000 0.000 0.412 574 C C 1.065 176.054 174.990 -0.002 0.000 1.348 574 C CA -0.254 58.787 59.018 0.038 0.000 1.769 574 C CB -0.898 26.945 27.740 0.171 0.000 2.641 574 C HN 0.745 nan 8.230 nan 0.000 0.612 575 D N -0.240 120.110 120.400 -0.082 0.000 2.772 575 D HA -0.195 4.445 4.640 0.000 0.000 0.233 575 D C 0.367 176.622 176.300 -0.076 0.000 1.143 575 D CA 0.866 54.823 54.000 -0.071 0.000 0.700 575 D CB -0.602 40.213 40.800 0.024 0.000 1.076 575 D HN 0.830 nan 8.370 nan 0.000 0.430 576 I N -0.024 120.470 120.570 -0.126 0.000 3.728 576 I HA -0.072 4.098 4.170 0.000 0.000 0.307 576 I C 1.139 177.150 176.117 -0.178 0.000 1.276 576 I CA 0.287 61.529 61.300 -0.097 0.000 1.285 576 I CB 0.321 38.310 38.000 -0.019 0.000 1.038 576 I HN 0.078 nan 8.210 nan 0.000 0.445 577 S N 0.051 115.485 115.700 -0.442 0.000 2.632 577 S HA 0.445 4.916 4.470 0.000 0.000 0.271 577 S C 1.386 175.832 174.600 -0.256 0.000 1.260 577 S CA -0.111 57.742 58.200 -0.578 0.000 1.010 577 S CB 1.773 64.177 63.200 -1.326 0.000 0.965 577 S HN 0.224 nan 8.310 nan 0.000 0.534 578 A N 1.213 123.942 122.820 -0.152 0.000 1.978 578 A HA -0.080 4.240 4.320 0.000 0.000 0.220 578 A C 1.730 179.161 177.584 -0.254 0.000 1.170 578 A CA 1.457 53.456 52.037 -0.064 0.000 0.636 578 A CB -1.320 17.791 19.000 0.186 0.000 0.810 578 A HN 1.073 nan 8.150 nan 0.000 0.448 579 W N 1.194 121.983 121.300 -0.851 0.000 2.363 579 W HA -0.148 4.512 4.660 0.000 0.000 0.296 579 W C 1.317 177.718 176.519 -0.198 0.000 1.212 579 W CA 1.661 58.510 57.345 -0.826 0.000 1.260 579 W CB 0.074 29.015 29.460 -0.864 0.000 1.131 579 W HN 0.385 nan 8.180 nan 0.000 0.530 580 D N 0.196 120.647 120.400 0.085 0.000 2.178 580 D HA -0.166 4.474 4.640 0.000 0.000 0.201 580 D C 2.208 178.517 176.300 0.015 0.000 0.980 580 D CA 1.644 55.709 54.000 0.108 0.000 0.842 580 D CB -0.669 40.147 40.800 0.026 0.000 0.948 580 D HN 0.309 nan 8.370 nan 0.000 0.472 581 A N 0.932 123.721 122.820 -0.052 0.000 1.898 581 A HA -0.134 4.186 4.320 0.000 0.000 0.216 581 A C 2.038 179.536 177.584 -0.142 0.000 1.181 581 A CA 0.871 52.863 52.037 -0.074 0.000 0.620 581 A CB -0.938 18.036 19.000 -0.043 0.000 0.819 581 A HN 0.305 nan 8.150 nan 0.000 0.442 582 F N -0.206 119.582 119.950 -0.270 0.000 2.134 582 F HA -0.236 4.291 4.527 0.000 0.000 0.299 582 F C 2.100 177.649 175.800 -0.418 0.000 1.097 582 F CA 1.917 59.722 58.000 -0.326 0.000 1.264 582 F CB -0.749 38.026 39.000 -0.374 0.000 1.001 582 F HN 0.364 nan 8.300 nan 0.000 0.479 583 Y N 1.133 120.733 120.300 -1.166 0.000 2.165 583 Y HA -0.201 4.349 4.550 0.000 0.000 0.286 583 Y C 1.866 177.374 175.900 -0.653 0.000 1.155 583 Y CA 2.182 59.586 58.100 -1.160 0.000 1.164 583 Y CB -0.716 37.276 38.460 -0.780 0.000 0.978 583 Y HN 0.199 nan 8.280 nan 0.000 0.513 584 L N -0.019 120.859 121.223 -0.576 0.000 2.109 584 L HA -0.086 4.254 4.340 0.000 0.000 0.207 584 L C 2.839 179.535 176.870 -0.290 0.000 1.086 584 L CA 0.961 55.562 54.840 -0.398 0.000 0.760 584 L CB -0.915 41.034 42.059 -0.184 0.000 0.910 584 L HN 0.350 nan 8.230 nan 0.000 0.437 585 A N -0.381 122.225 122.820 -0.357 0.000 1.972 585 A HA -0.205 4.116 4.320 0.000 0.000 0.219 585 A C 2.340 179.692 177.584 -0.387 0.000 1.169 585 A CA 1.332 53.191 52.037 -0.296 0.000 0.635 585 A CB -0.363 18.452 19.000 -0.309 0.000 0.810 585 A HN 0.264 nan 8.150 nan 0.000 0.446 586 M N -1.409 117.783 119.600 -0.680 0.000 2.149 586 M HA -0.127 4.353 4.480 0.000 0.000 0.261 586 M C 1.970 177.828 176.300 -0.736 0.000 1.064 586 M CA 1.410 56.233 55.300 -0.795 0.000 1.102 586 M CB -1.233 30.720 32.600 -1.077 0.000 1.369 586 M HN 0.523 nan 8.290 nan 0.000 0.408 587 F N -1.703 117.863 119.950 -0.640 0.000 2.134 587 F HA -0.236 4.291 4.527 0.000 0.000 0.299 587 F C 2.139 177.585 175.800 -0.589 0.000 1.097 587 F CA 1.222 58.825 58.000 -0.662 0.000 1.264 587 F CB -0.663 37.875 39.000 -0.770 0.000 1.001 587 F HN 0.147 nan 8.300 nan 0.000 0.479 588 W N -0.427 120.684 121.300 -0.316 0.000 2.418 588 W HA -0.160 4.500 4.660 0.000 0.000 0.292 588 W C 2.602 178.876 176.519 -0.407 0.000 1.213 588 W CA 0.928 58.060 57.345 -0.355 0.000 1.283 588 W CB -0.273 28.994 29.460 -0.321 0.000 1.119 588 W HN -0.081 nan 8.180 nan 0.000 0.542 589 M N -0.066 119.399 119.600 -0.225 0.000 2.086 589 M HA -0.185 4.295 4.480 0.000 0.000 0.261 589 M C 1.816 177.886 176.300 -0.384 0.000 1.067 589 M CA 1.821 56.941 55.300 -0.300 0.000 1.116 589 M CB -1.002 31.371 32.600 -0.378 0.000 1.348 589 M HN 0.085 nan 8.290 nan 0.000 0.407 590 L N 0.543 121.484 121.223 -0.470 0.000 2.042 590 L HA -0.273 4.067 4.340 0.000 0.000 0.210 590 L C 2.286 178.896 176.870 -0.433 0.000 1.076 590 L CA 1.843 56.369 54.840 -0.523 0.000 0.749 590 L CB -1.046 40.497 42.059 -0.860 0.000 0.893 590 L HN 0.430 nan 8.230 nan 0.000 0.432 591 N N -0.593 117.797 118.700 -0.515 0.000 2.104 591 N HA -0.172 4.568 4.740 0.000 0.000 0.190 591 N C 1.662 176.629 175.510 -0.906 0.000 1.024 591 N CA 2.007 54.621 53.050 -0.726 0.000 0.853 591 N CB -0.019 37.824 38.487 -1.073 0.000 1.008 591 N HN 0.156 nan 8.380 nan 0.000 0.424 592 T N 0.789 114.984 114.554 -0.598 0.000 2.701 592 T HA -0.011 4.339 4.350 0.000 0.000 0.263 592 T C 1.720 176.283 174.700 -0.229 0.000 1.040 592 T CA 0.916 62.809 62.100 -0.345 0.000 1.147 592 T CB -0.138 68.645 68.868 -0.140 0.000 0.865 592 T HN 0.176 nan 8.240 nan 0.000 0.426 593 I N 1.673 122.058 120.570 -0.309 0.000 2.454 593 I HA -0.059 4.111 4.170 0.000 0.000 0.254 593 I C 2.728 178.660 176.117 -0.309 0.000 1.156 593 I CA 1.046 62.110 61.300 -0.393 0.000 1.433 593 I CB -1.821 35.724 38.000 -0.758 0.000 1.082 593 I HN 0.299 nan 8.210 nan 0.000 0.432 594 G N 0.277 108.934 108.800 -0.238 0.000 2.414 594 G HA2 -0.216 3.744 3.960 0.000 0.000 0.215 594 G HA3 -0.216 3.744 3.960 0.000 0.000 0.215 594 G C 1.341 176.126 174.900 -0.192 0.000 1.188 594 G CA 0.157 45.120 45.100 -0.227 0.000 0.783 594 G HN 0.229 nan 8.290 nan 0.000 0.537 595 W N 0.792 121.899 121.300 -0.322 0.000 2.338 595 W HA -0.106 4.554 4.660 0.000 0.000 0.304 595 W C 2.874 179.425 176.519 0.053 0.000 1.212 595 W CA 1.424 58.629 57.345 -0.234 0.000 1.264 595 W CB -1.364 27.963 29.460 -0.221 0.000 1.142 595 W HN 0.195 nan 8.180 nan 0.000 0.512 596 V N 0.515 120.604 119.914 0.293 0.000 2.548 596 V HA -0.202 3.918 4.120 0.000 0.000 0.249 596 V C 2.032 178.395 176.094 0.448 0.000 1.055 596 V CA 2.891 65.405 62.300 0.356 0.000 1.065 596 V CB -0.966 30.988 31.823 0.219 0.000 0.681 596 V HN 0.207 nan 8.190 nan 0.000 0.462 597 T N -3.336 111.445 114.554 0.379 0.000 2.978 597 T HA 0.011 4.361 4.350 0.000 0.000 0.262 597 T C 1.757 176.926 174.700 0.780 0.000 1.063 597 T CA 1.078 63.485 62.100 0.512 0.000 1.140 597 T CB -0.601 68.482 68.868 0.357 0.000 0.886 597 T HN 0.388 nan 8.240 nan 0.000 0.470 598 F N 1.117 121.374 119.950 0.511 0.000 2.134 598 F HA 0.055 4.583 4.527 0.000 0.000 0.299 598 F C 2.367 178.558 175.800 0.651 0.000 1.097 598 F CA 0.086 58.498 58.000 0.687 0.000 1.264 598 F CB -1.050 38.340 39.000 0.651 0.000 1.001 598 F HN 0.172 nan 8.300 nan 0.000 0.479 599 Y N -1.092 119.671 120.300 0.771 0.000 2.114 599 Y HA -0.282 4.268 4.550 0.000 0.000 0.284 599 Y C 2.354 178.442 175.900 0.313 0.000 1.143 599 Y CA 1.453 59.948 58.100 0.658 0.000 1.135 599 Y CB -1.416 37.358 38.460 0.523 0.000 0.980 599 Y HN 0.207 nan 8.280 nan 0.000 0.499 600 W N 0.741 121.994 121.300 -0.078 0.000 2.342 600 W HA -0.240 4.421 4.660 0.000 0.000 0.297 600 W C 2.858 179.265 176.519 -0.187 0.000 1.213 600 W CA 2.542 59.646 57.345 -0.402 0.000 1.251 600 W CB -0.677 28.482 29.460 -0.502 0.000 1.136 600 W HN 0.315 nan 8.180 nan 0.000 0.526 601 H N -1.772 117.546 119.070 0.414 0.000 2.307 601 H HA -0.236 4.320 4.556 0.000 0.000 0.303 601 H C 2.057 177.413 175.328 0.046 0.000 1.073 601 H CA 1.770 58.025 56.048 0.345 0.000 1.338 601 H CB -0.981 29.124 29.762 0.572 0.000 1.389 601 H HN 0.222 nan 8.280 nan 0.000 0.503 602 W N 2.756 123.806 121.300 -0.416 0.000 2.338 602 W HA -0.175 4.485 4.660 0.000 0.000 0.304 602 W C 2.619 178.781 176.519 -0.595 0.000 1.212 602 W CA 1.630 58.627 57.345 -0.579 0.000 1.264 602 W CB -0.518 28.474 29.460 -0.781 0.000 1.142 602 W HN 0.147 nan 8.180 nan 0.000 0.512 603 K N -1.106 118.846 120.400 -0.747 0.000 2.032 603 K HA -0.252 4.068 4.320 0.000 0.000 0.209 603 K C 1.965 177.961 176.600 -1.006 0.000 1.048 603 K CA 2.123 57.700 56.287 -1.183 0.000 0.927 603 K CB -0.608 31.094 32.500 -1.331 0.000 0.712 603 K HN 0.129 nan 8.250 nan 0.000 0.441 604 H N -0.098 118.253 119.070 -1.197 0.000 2.456 604 H HA -0.089 4.467 4.556 0.000 0.000 0.296 604 H C 1.673 176.133 175.328 -1.446 0.000 1.079 604 H CA 1.060 56.115 56.048 -1.655 0.000 1.322 604 H CB 0.067 28.392 29.762 -2.395 0.000 1.388 604 H HN 0.074 nan 8.280 nan 0.000 0.538 605 L N -0.206 120.584 121.223 -0.722 0.000 2.012 605 L HA -0.082 4.258 4.340 0.000 0.000 0.210 605 L C 2.566 179.305 176.870 -0.218 0.000 1.073 605 L CA 1.994 56.658 54.840 -0.292 0.000 0.748 605 L CB -1.085 40.907 42.059 -0.112 0.000 0.891 605 L HN 0.400 nan 8.230 nan 0.000 0.431 606 G N -1.792 106.822 108.800 -0.309 0.000 2.404 606 G HA2 -0.167 3.793 3.960 0.000 0.000 0.215 606 G HA3 -0.167 3.793 3.960 0.000 0.000 0.215 606 G C 1.658 176.401 174.900 -0.261 0.000 1.174 606 G CA 0.854 45.812 45.100 -0.238 0.000 0.780 606 G HN 0.267 nan 8.290 nan 0.000 0.537 607 V N -0.160 119.485 119.914 -0.448 0.000 2.392 607 V HA -0.142 3.978 4.120 0.000 0.000 0.249 607 V C 2.550 178.526 176.094 -0.197 0.000 1.059 607 V CA 1.477 63.534 62.300 -0.405 0.000 1.051 607 V CB -0.452 30.965 31.823 -0.676 0.000 0.658 607 V HN 0.536 nan 8.190 nan 0.000 0.455 608 W N 0.161 121.294 121.300 -0.279 0.000 2.518 608 W HA 0.033 4.693 4.660 0.000 0.000 0.273 608 W C 2.253 178.676 176.519 -0.161 0.000 1.247 608 W CA 0.499 57.665 57.345 -0.299 0.000 1.288 608 W CB -0.631 28.484 29.460 -0.575 0.000 1.107 608 W HN 0.375 nan 8.180 nan 0.000 0.586 609 E N -0.729 119.522 120.200 0.085 0.000 2.489 609 E HA 0.173 4.523 4.350 0.000 0.000 0.193 609 E C 1.611 178.225 176.600 0.022 0.000 1.057 609 E CA 0.475 56.907 56.400 0.053 0.000 0.866 609 E CB -0.215 29.507 29.700 0.037 0.000 0.916 609 E HN 0.194 nan 8.360 nan 0.000 0.500 610 G N 2.618 111.419 108.800 0.002 0.000 2.160 610 G HA2 -0.348 3.612 3.960 0.000 0.000 0.251 610 G HA3 -0.348 3.612 3.960 0.000 0.000 0.251 610 G C 0.072 174.955 174.900 -0.029 0.000 1.008 610 G CA 0.506 45.598 45.100 -0.013 0.000 0.724 610 G HN 0.431 nan 8.290 nan 0.000 0.514 611 N N -0.398 118.276 118.700 -0.044 0.000 2.813 611 N HA 0.341 5.081 4.740 0.000 0.000 0.282 611 N C 1.710 177.172 175.510 -0.079 0.000 1.748 611 N CA 0.079 53.102 53.050 -0.044 0.000 0.860 611 N CB 0.550 39.027 38.487 -0.017 0.000 1.204 611 N HN 0.460 nan 8.380 nan 0.000 0.490 612 V N -0.551 119.305 119.914 -0.096 0.000 2.867 612 V HA -0.041 4.079 4.120 0.000 0.000 0.260 612 V C 2.201 178.240 176.094 -0.091 0.000 1.099 612 V CA 1.697 63.926 62.300 -0.119 0.000 1.122 612 V CB -0.818 30.937 31.823 -0.112 0.000 0.708 612 V HN 0.441 nan 8.190 nan 0.000 0.490 613 A N 0.033 122.811 122.820 -0.069 0.000 1.978 613 A HA -0.289 4.031 4.320 0.000 0.000 0.220 613 A C 2.325 179.854 177.584 -0.091 0.000 1.170 613 A CA 2.188 54.187 52.037 -0.063 0.000 0.636 613 A CB -0.615 18.363 19.000 -0.035 0.000 0.810 613 A HN 0.706 nan 8.150 nan 0.000 0.448 614 Q N -1.590 118.157 119.800 -0.088 0.000 2.030 614 Q HA -0.219 4.121 4.340 0.000 0.000 0.204 614 Q C 1.906 177.720 176.000 -0.309 0.000 0.986 614 Q CA 2.074 57.823 55.803 -0.091 0.000 0.843 614 Q CB -0.307 28.435 28.738 0.006 0.000 0.904 614 Q HN 0.658 nan 8.270 nan 0.000 0.420 615 F N 1.340 120.899 119.950 -0.651 0.000 2.075 615 F HA -0.160 4.367 4.527 0.000 0.000 0.297 615 F C 1.660 177.081 175.800 -0.632 0.000 1.113 615 F CA 2.150 59.484 58.000 -1.110 0.000 1.218 615 F CB -0.515 37.862 39.000 -1.039 0.000 0.984 615 F HN 0.191 nan 8.300 nan 0.000 0.472 616 N N -0.126 118.364 118.700 -0.351 0.000 2.094 616 N HA -0.230 4.510 4.740 0.000 0.000 0.191 616 N C 1.526 176.879 175.510 -0.261 0.000 1.023 616 N CA 1.801 54.697 53.050 -0.257 0.000 0.857 616 N CB -0.237 38.203 38.487 -0.079 0.000 1.013 616 N HN 0.521 nan 8.380 nan 0.000 0.426 617 E N -0.241 119.835 120.200 -0.206 0.000 2.216 617 E HA 0.110 4.460 4.350 0.000 0.000 0.192 617 E C 1.533 178.115 176.600 -0.029 0.000 0.973 617 E CA 0.302 56.654 56.400 -0.080 0.000 0.851 617 E CB 0.265 29.956 29.700 -0.015 0.000 0.804 617 E HN 0.133 nan 8.360 nan 0.000 0.477 618 S N 0.791 116.384 115.700 -0.178 0.000 2.470 618 S HA -0.066 4.404 4.470 0.000 0.000 0.225 618 S C 1.987 176.368 174.600 -0.364 0.000 1.006 618 S CA 0.800 58.892 58.200 -0.179 0.000 0.934 618 S CB 0.088 63.304 63.200 0.027 0.000 0.778 618 S HN 0.285 nan 8.310 nan 0.000 0.517 619 S N 1.466 116.783 115.700 -0.638 0.000 2.555 619 S HA -0.064 4.406 4.470 0.000 0.000 0.230 619 S C 1.644 176.338 174.600 0.157 0.000 0.978 619 S CA 1.093 58.993 58.200 -0.500 0.000 0.934 619 S CB -0.736 61.626 63.200 -1.398 0.000 0.766 619 S HN 0.610 nan 8.310 nan 0.000 0.533 620 T N -1.264 113.353 114.554 0.106 0.000 3.100 620 T HA 0.239 4.589 4.350 0.000 0.000 0.253 620 T C 0.278 175.256 174.700 0.463 0.000 1.118 620 T CA -0.446 61.797 62.100 0.240 0.000 1.058 620 T CB -0.756 68.191 68.868 0.132 0.000 0.953 620 T HN 0.710 nan 8.240 nan 0.000 0.515 621 Y N -1.520 118.989 120.300 0.348 0.000 2.512 621 Y HA 0.672 5.222 4.550 0.000 0.000 0.348 621 Y C 0.630 176.768 175.900 0.396 0.000 0.990 621 Y CA -1.729 56.575 58.100 0.339 0.000 1.033 621 Y CB 1.296 39.851 38.460 0.159 0.000 1.259 621 Y HN -0.224 nan 8.280 nan 0.000 0.461 622 L N 1.824 123.229 121.223 0.303 0.000 2.217 622 L HA -0.105 4.235 4.340 0.000 0.000 0.211 622 L C 2.299 179.253 176.870 0.140 0.000 1.107 622 L CA 1.103 56.020 54.840 0.129 0.000 0.783 622 L CB -0.172 41.840 42.059 -0.078 0.000 0.919 622 L HN 0.871 nan 8.230 nan 0.000 0.442 623 M N 0.544 120.241 119.600 0.161 0.000 2.358 623 M HA -0.070 4.410 4.480 0.000 0.000 0.264 623 M C 1.885 178.182 176.300 -0.005 0.000 1.064 623 M CA 1.595 56.972 55.300 0.128 0.000 1.093 623 M CB -0.787 31.962 32.600 0.250 0.000 1.401 623 M HN 0.105 nan 8.290 nan 0.000 0.440 624 G N -1.312 107.303 108.800 -0.308 0.000 2.403 624 G HA2 -0.205 3.755 3.960 0.000 0.000 0.216 624 G HA3 -0.205 3.755 3.960 0.000 0.000 0.216 624 G C 1.068 175.863 174.900 -0.175 0.000 1.154 624 G CA 0.568 45.450 45.100 -0.364 0.000 0.784 624 G HN 0.609 nan 8.290 nan 0.000 0.538 625 W N 0.040 121.233 121.300 -0.179 0.000 2.407 625 W HA 0.162 4.822 4.660 0.000 0.000 0.305 625 W C 2.347 178.763 176.519 -0.171 0.000 1.196 625 W CA 0.371 57.548 57.345 -0.281 0.000 1.311 625 W CB -0.687 28.759 29.460 -0.024 0.000 1.135 625 W HN 0.168 nan 8.180 nan 0.000 0.514 626 L N 0.888 122.203 121.223 0.154 0.000 2.017 626 L HA -0.124 4.216 4.340 0.000 0.000 0.208 626 L C 2.526 179.431 176.870 0.058 0.000 1.073 626 L CA 2.013 56.912 54.840 0.098 0.000 0.745 626 L CB -0.840 41.268 42.059 0.081 0.000 0.894 626 L HN -0.028 nan 8.230 nan 0.000 0.432 627 R N -1.107 119.406 120.500 0.022 0.000 2.066 627 R HA -0.060 4.280 4.340 0.000 0.000 0.224 627 R C 1.253 177.622 176.300 0.116 0.000 1.122 627 R CA 1.385 57.507 56.100 0.037 0.000 0.974 627 R CB -0.075 30.197 30.300 -0.046 0.000 0.871 627 R HN 0.361 nan 8.270 nan 0.000 0.435 628 D N -0.785 119.623 120.400 0.013 0.000 2.350 628 D HA -0.056 4.585 4.640 0.000 0.000 0.213 628 D C 0.731 176.962 176.300 -0.116 0.000 1.031 628 D CA 0.471 54.517 54.000 0.078 0.000 0.861 628 D CB 0.364 41.318 40.800 0.258 0.000 0.926 628 D HN 0.259 nan 8.370 nan 0.000 0.520 629 Y N 0.619 120.549 120.300 -0.616 0.000 2.583 629 Y HA 0.209 4.759 4.550 0.000 0.000 0.270 629 Y C 1.803 177.558 175.900 -0.242 0.000 1.113 629 Y CA 0.420 58.025 58.100 -0.826 0.000 1.307 629 Y CB -0.355 37.230 38.460 -1.459 0.000 1.369 629 Y HN -0.243 nan 8.280 nan 0.000 0.506 630 L N -1.325 119.635 121.223 -0.439 0.000 2.034 630 L HA -0.122 4.218 4.340 0.000 0.000 0.203 630 L C 2.300 179.050 176.870 -0.200 0.000 1.074 630 L CA 1.731 56.274 54.840 -0.496 0.000 0.748 630 L CB -0.932 40.918 42.059 -0.349 0.000 0.905 630 L HN 0.432 nan 8.230 nan 0.000 0.439 631 W N 0.797 121.983 121.300 -0.190 0.000 2.355 631 W HA -0.211 4.449 4.660 0.000 0.000 0.309 631 W C 2.412 178.884 176.519 -0.078 0.000 1.206 631 W CA 1.336 58.616 57.345 -0.108 0.000 1.284 631 W CB -0.115 29.306 29.460 -0.065 0.000 1.145 631 W HN -0.017 nan 8.180 nan 0.000 0.502 632 L N 1.186 122.513 121.223 0.174 0.000 1.989 632 L HA -0.256 4.084 4.340 0.000 0.000 0.211 632 L C 1.651 178.410 176.870 -0.185 0.000 1.071 632 L CA 1.954 56.788 54.840 -0.009 0.000 0.749 632 L CB -0.888 41.286 42.059 0.192 0.000 0.890 632 L HN 0.058 nan 8.230 nan 0.000 0.431 633 N N -0.265 118.375 118.700 -0.100 0.000 2.521 633 N HA -0.071 4.670 4.740 0.000 0.000 0.188 633 N C 1.447 176.921 175.510 -0.060 0.000 1.146 633 N CA 0.989 53.989 53.050 -0.084 0.000 0.893 633 N CB 0.179 38.627 38.487 -0.065 0.000 0.975 633 N HN 0.408 nan 8.380 nan 0.000 0.451 634 S N -1.769 113.850 115.700 -0.134 0.000 2.556 634 S HA 0.178 4.648 4.470 0.000 0.000 0.216 634 S C 1.813 176.235 174.600 -0.298 0.000 0.970 634 S CA -0.354 57.734 58.200 -0.187 0.000 0.912 634 S CB 0.483 63.544 63.200 -0.232 0.000 0.790 634 S HN -0.031 nan 8.310 nan 0.000 0.504 635 S N 2.316 117.819 115.700 -0.328 0.000 2.359 635 S HA -0.160 4.310 4.470 0.000 0.000 0.222 635 S C 2.232 176.701 174.600 -0.219 0.000 1.038 635 S CA 1.667 59.680 58.200 -0.312 0.000 1.051 635 S CB -0.291 62.725 63.200 -0.308 0.000 0.944 635 S HN 0.661 nan 8.310 nan 0.000 0.433 636 Q N 0.450 120.138 119.800 -0.188 0.000 2.046 636 Q HA -0.064 4.276 4.340 0.000 0.000 0.200 636 Q C 2.363 178.274 176.000 -0.149 0.000 0.975 636 Q CA 0.960 56.676 55.803 -0.146 0.000 0.836 636 Q CB -1.034 27.626 28.738 -0.130 0.000 0.896 636 Q HN 0.531 nan 8.270 nan 0.000 0.428 637 L N 1.054 122.160 121.223 -0.195 0.000 2.010 637 L HA -0.219 4.121 4.340 0.000 0.000 0.219 637 L C 2.123 178.877 176.870 -0.193 0.000 1.077 637 L CA 1.699 56.414 54.840 -0.208 0.000 0.773 637 L CB -0.671 41.175 42.059 -0.355 0.000 0.892 637 L HN 0.080 nan 8.230 nan 0.000 0.436 638 I N -0.008 120.421 120.570 -0.235 0.000 2.756 638 I HA -0.207 3.963 4.170 0.000 0.000 0.262 638 I C 1.290 177.289 176.117 -0.197 0.000 1.225 638 I CA 1.254 62.432 61.300 -0.203 0.000 1.472 638 I CB -0.734 37.150 38.000 -0.194 0.000 1.094 638 I HN 0.425 nan 8.210 nan 0.000 0.454 639 N N -0.619 117.989 118.700 -0.153 0.000 2.238 639 N HA 0.134 4.874 4.740 0.000 0.000 0.222 639 N C 1.803 177.270 175.510 -0.071 0.000 1.133 639 N CA 0.378 53.361 53.050 -0.112 0.000 0.854 639 N CB 0.325 38.777 38.487 -0.059 0.000 1.041 639 N HN 0.230 nan 8.380 nan 0.000 0.510 640 G N 0.440 109.199 108.800 -0.069 0.000 2.475 640 G HA2 -0.214 3.746 3.960 0.000 0.000 0.220 640 G HA3 -0.214 3.746 3.960 0.000 0.000 0.220 640 G C 0.076 175.062 174.900 0.144 0.000 1.125 640 G CA 1.304 46.435 45.100 0.051 0.000 0.755 640 G HN 0.494 nan 8.290 nan 0.000 0.565 641 Y N -1.174 119.147 120.300 0.034 0.000 2.571 641 Y HA 0.636 5.186 4.550 0.000 0.000 0.341 641 Y C -0.778 175.127 175.900 0.009 0.000 1.076 641 Y CA -1.679 56.431 58.100 0.018 0.000 1.029 641 Y CB 0.985 39.461 38.460 0.026 0.000 1.308 641 Y HN 0.197 nan 8.280 nan 0.000 0.461 642 N N -0.267 118.507 118.700 0.123 0.000 3.378 642 N HA 0.451 5.191 4.740 0.000 0.000 0.294 642 N C -2.955 172.484 175.510 -0.119 0.000 1.544 642 N CA -2.028 51.011 53.050 -0.019 0.000 0.872 642 N CB 0.571 39.046 38.487 -0.020 0.000 1.670 642 N HN 0.280 nan 8.380 nan 0.000 0.551 643 P HA 0.128 nan 4.420 nan 0.000 0.231 643 P C -0.182 176.659 177.300 -0.766 0.000 1.158 643 P CA 1.007 63.730 63.100 -0.627 0.000 0.763 643 P CB -0.138 31.055 31.700 -0.847 0.000 0.805 644 F N -1.878 118.089 119.950 0.028 0.000 2.720 644 F HA 0.465 4.992 4.527 0.000 0.000 0.301 644 F C 1.503 177.311 175.800 0.014 0.000 1.103 644 F CA 0.209 58.218 58.000 0.015 0.000 1.291 644 F CB 0.436 39.438 39.000 0.005 0.000 1.086 644 F HN -0.085 nan 8.300 nan 0.000 0.592 645 G N -0.067 108.797 108.800 0.106 0.000 2.333 645 G HA2 0.410 4.370 3.960 0.000 0.000 0.288 645 G HA3 0.410 4.370 3.960 0.000 0.000 0.288 645 G C -1.458 173.489 174.900 0.079 0.000 1.286 645 G CA -0.289 44.857 45.100 0.077 0.000 0.865 645 G HN 0.077 nan 8.290 nan 0.000 0.506 646 T N -1.473 113.110 114.554 0.047 0.000 2.956 646 T HA 0.716 5.066 4.350 0.000 0.000 0.312 646 T C -0.485 174.207 174.700 -0.014 0.000 1.151 646 T CA -0.378 61.754 62.100 0.053 0.000 1.024 646 T CB 1.867 70.746 68.868 0.018 0.000 1.140 646 T HN 1.298 nan 8.240 nan 0.000 0.473 647 N N 1.267 119.947 118.700 -0.032 0.000 2.890 647 N HA 0.241 4.981 4.740 0.000 0.000 0.317 647 N C 0.421 175.770 175.510 -0.267 0.000 1.355 647 N CA -0.897 52.080 53.050 -0.123 0.000 0.803 647 N CB 1.300 39.740 38.487 -0.078 0.000 1.465 647 N HN 0.847 nan 8.380 nan 0.000 0.591 648 N N -0.698 117.765 118.700 -0.395 0.000 2.626 648 N HA -0.037 4.703 4.740 0.000 0.000 0.193 648 N C 0.505 175.855 175.510 -0.266 0.000 1.213 648 N CA 0.222 52.849 53.050 -0.705 0.000 0.914 648 N CB -0.130 38.044 38.487 -0.522 0.000 0.994 648 N HN 0.408 nan 8.380 nan 0.000 0.447 649 L N 0.197 121.402 121.223 -0.030 0.000 2.808 649 L HA 0.177 4.517 4.340 0.000 0.000 0.246 649 L C 1.770 178.791 176.870 0.251 0.000 1.153 649 L CA -0.132 54.845 54.840 0.228 0.000 0.956 649 L CB 0.115 42.256 42.059 0.136 0.000 1.270 649 L HN 0.307 nan 8.230 nan 0.000 0.528 650 S N -0.209 115.606 115.700 0.192 0.000 2.399 650 S HA -0.143 4.327 4.470 0.000 0.000 0.231 650 S C 1.854 176.658 174.600 0.341 0.000 1.022 650 S CA 1.210 59.605 58.200 0.325 0.000 0.983 650 S CB -0.763 62.569 63.200 0.220 0.000 0.803 650 S HN 0.232 nan 8.310 nan 0.000 0.480 651 V N -0.138 119.922 119.914 0.244 0.000 2.237 651 V HA -0.150 3.970 4.120 0.000 0.000 0.245 651 V C 2.349 178.525 176.094 0.137 0.000 1.046 651 V CA 1.651 63.970 62.300 0.033 0.000 1.007 651 V CB -1.881 29.731 31.823 -0.352 0.000 0.638 651 V HN 0.628 nan 8.190 nan 0.000 0.445 652 W N 0.745 122.208 121.300 0.272 0.000 2.350 652 W HA 0.022 4.682 4.660 0.000 0.000 0.289 652 W C 2.712 179.388 176.519 0.261 0.000 1.215 652 W CA 1.120 58.599 57.345 0.223 0.000 1.236 652 W CB -0.529 28.994 29.460 0.106 0.000 1.130 652 W HN 0.260 nan 8.180 nan 0.000 0.541 653 A N -0.848 122.249 122.820 0.462 0.000 1.929 653 A HA -0.168 4.152 4.320 0.000 0.000 0.216 653 A C 1.578 179.478 177.584 0.527 0.000 1.176 653 A CA 1.217 53.475 52.037 0.368 0.000 0.628 653 A CB -1.220 17.891 19.000 0.185 0.000 0.816 653 A HN 0.480 nan 8.150 nan 0.000 0.444 654 W N 0.065 121.610 121.300 0.407 0.000 2.379 654 W HA -0.131 4.529 4.660 0.000 0.000 0.307 654 W C 2.263 178.968 176.519 0.310 0.000 1.200 654 W CA 1.908 59.468 57.345 0.359 0.000 1.297 654 W CB -0.117 29.458 29.460 0.192 0.000 1.140 654 W HN 0.346 nan 8.180 nan 0.000 0.507 655 M N -0.588 119.361 119.600 0.582 0.000 2.149 655 M HA -0.219 4.261 4.480 0.000 0.000 0.261 655 M C 2.137 178.711 176.300 0.456 0.000 1.064 655 M CA 1.920 57.496 55.300 0.461 0.000 1.102 655 M CB -0.722 32.131 32.600 0.423 0.000 1.369 655 M HN 0.128 nan 8.290 nan 0.000 0.408 656 F N 1.073 121.200 119.950 0.294 0.000 2.126 656 F HA -0.201 4.326 4.527 0.000 0.000 0.299 656 F C 1.686 177.614 175.800 0.215 0.000 1.096 656 F CA 1.753 59.897 58.000 0.241 0.000 1.255 656 F CB -0.410 38.702 39.000 0.186 0.000 0.997 656 F HN 0.100 nan 8.300 nan 0.000 0.479 657 L N -1.382 119.922 121.223 0.135 0.000 2.109 657 L HA -0.180 4.160 4.340 0.000 0.000 0.207 657 L C 2.395 179.224 176.870 -0.069 0.000 1.086 657 L CA 1.109 55.896 54.840 -0.088 0.000 0.760 657 L CB -0.825 41.185 42.059 -0.083 0.000 0.910 657 L HN 0.191 nan 8.230 nan 0.000 0.437 658 F N 0.969 120.776 119.950 -0.239 0.000 2.126 658 F HA -0.168 4.359 4.527 0.000 0.000 0.299 658 F C 2.215 177.970 175.800 -0.076 0.000 1.096 658 F CA 1.669 59.515 58.000 -0.257 0.000 1.255 658 F CB -0.591 38.224 39.000 -0.309 0.000 0.997 658 F HN -0.010 nan 8.300 nan 0.000 0.479 659 G N -1.358 107.493 108.800 0.085 0.000 2.418 659 G HA2 -0.305 3.655 3.960 0.000 0.000 0.217 659 G HA3 -0.305 3.655 3.960 0.000 0.000 0.217 659 G C 1.266 176.069 174.900 -0.161 0.000 1.158 659 G CA 1.192 46.272 45.100 -0.034 0.000 0.771 659 G HN 0.481 nan 8.290 nan 0.000 0.545 660 H N -0.594 118.307 119.070 -0.282 0.000 2.387 660 H HA -0.014 4.542 4.556 0.000 0.000 0.299 660 H C 2.297 177.554 175.328 -0.118 0.000 1.099 660 H CA 1.386 57.268 56.048 -0.277 0.000 1.315 660 H CB -0.132 29.410 29.762 -0.367 0.000 1.380 660 H HN 0.313 nan 8.280 nan 0.000 0.513 661 L N -0.185 121.002 121.223 -0.060 0.000 2.056 661 L HA -0.092 4.248 4.340 0.000 0.000 0.207 661 L C 2.037 178.857 176.870 -0.083 0.000 1.078 661 L CA 1.123 55.907 54.840 -0.094 0.000 0.749 661 L CB -0.452 41.504 42.059 -0.172 0.000 0.901 661 L HN 0.088 nan 8.230 nan 0.000 0.433 662 V N -1.268 118.532 119.914 -0.191 0.000 2.427 662 V HA -0.269 3.851 4.120 0.000 0.000 0.248 662 V C 2.125 178.316 176.094 0.163 0.000 1.051 662 V CA 1.851 64.107 62.300 -0.074 0.000 1.048 662 V CB -0.884 30.776 31.823 -0.271 0.000 0.666 662 V HN 0.759 nan 8.190 nan 0.000 0.456 663 W N 1.166 122.409 121.300 -0.095 0.000 2.354 663 W HA -0.185 4.475 4.660 0.000 0.000 0.315 663 W C 2.444 178.975 176.519 0.021 0.000 1.206 663 W CA 2.117 59.422 57.345 -0.066 0.000 1.290 663 W CB -0.386 28.915 29.460 -0.264 0.000 1.152 663 W HN 0.162 nan 8.180 nan 0.000 0.489 664 A N -0.690 122.175 122.820 0.076 0.000 2.015 664 A HA -0.134 4.186 4.320 0.000 0.000 0.219 664 A C 1.848 179.371 177.584 -0.101 0.000 1.163 664 A CA 2.085 53.941 52.037 -0.300 0.000 0.646 664 A CB -1.243 17.648 19.000 -0.181 0.000 0.806 664 A HN 0.303 nan 8.150 nan 0.000 0.448 665 T N -0.272 114.301 114.554 0.032 0.000 2.915 665 T HA -0.021 4.329 4.350 0.000 0.000 0.269 665 T C 1.885 176.645 174.700 0.100 0.000 1.071 665 T CA 1.228 63.357 62.100 0.047 0.000 1.132 665 T CB -0.373 68.570 68.868 0.124 0.000 0.878 665 T HN 0.578 nan 8.240 nan 0.000 0.479 666 G N 0.404 109.352 108.800 0.247 0.000 2.422 666 G HA2 -0.112 3.848 3.960 0.000 0.000 0.218 666 G HA3 -0.112 3.848 3.960 0.000 0.000 0.218 666 G C 1.144 176.266 174.900 0.371 0.000 1.140 666 G CA 0.124 45.445 45.100 0.369 0.000 0.775 666 G HN 0.405 nan 8.290 nan 0.000 0.545 667 F N 0.436 120.377 119.950 -0.016 0.000 2.269 667 F HA 0.031 4.558 4.527 0.000 0.000 0.301 667 F C 2.628 178.400 175.800 -0.047 0.000 1.082 667 F CA 1.092 59.054 58.000 -0.063 0.000 1.360 667 F CB -0.328 38.571 39.000 -0.169 0.000 1.041 667 F HN 0.156 nan 8.300 nan 0.000 0.512 668 M N -0.948 118.684 119.600 0.054 0.000 2.086 668 M HA -0.244 4.236 4.480 0.000 0.000 0.261 668 M C 1.949 178.148 176.300 -0.167 0.000 1.067 668 M CA 2.066 57.274 55.300 -0.152 0.000 1.116 668 M CB -0.457 31.873 32.600 -0.449 0.000 1.348 668 M HN 0.065 nan 8.290 nan 0.000 0.407 669 F N 0.242 120.195 119.950 0.005 0.000 2.234 669 F HA -0.082 4.445 4.527 0.000 0.000 0.299 669 F C 1.896 177.756 175.800 0.101 0.000 1.087 669 F CA 0.939 58.938 58.000 -0.002 0.000 1.340 669 F CB -0.509 38.427 39.000 -0.108 0.000 1.031 669 F HN 0.127 nan 8.300 nan 0.000 0.500 670 L N -0.607 120.785 121.223 0.281 0.000 2.240 670 L HA -0.074 4.266 4.340 0.000 0.000 0.211 670 L C 2.046 179.120 176.870 0.340 0.000 1.106 670 L CA 0.903 55.894 54.840 0.251 0.000 0.793 670 L CB -0.335 41.778 42.059 0.090 0.000 0.927 670 L HN 0.172 nan 8.230 nan 0.000 0.446 671 I N -1.389 119.314 120.570 0.221 0.000 2.729 671 I HA -0.012 4.158 4.170 0.000 0.000 0.256 671 I C 1.208 177.368 176.117 0.071 0.000 1.115 671 I CA 0.135 61.496 61.300 0.103 0.000 1.446 671 I CB 0.131 38.130 38.000 -0.001 0.000 1.176 671 I HN 0.150 nan 8.210 nan 0.000 0.446 672 S N 0.528 116.355 115.700 0.211 0.000 2.525 672 S HA 0.292 4.763 4.470 0.000 0.000 0.278 672 S C -0.996 173.982 174.600 0.630 0.000 1.234 672 S CA -0.635 57.701 58.200 0.227 0.000 1.058 672 S CB 0.853 64.183 63.200 0.217 0.000 0.983 672 S HN 0.116 nan 8.310 nan 0.000 0.495 673 W N 1.783 123.181 121.300 0.164 0.000 2.594 673 W HA 0.592 5.252 4.660 0.000 0.000 0.365 673 W C 1.828 178.523 176.519 0.294 0.000 1.196 673 W CA -2.038 55.422 57.345 0.192 0.000 1.258 673 W CB 0.783 30.297 29.460 0.089 0.000 1.405 673 W HN 0.824 nan 8.180 nan 0.000 0.640 674 R N 0.423 121.188 120.500 0.442 0.000 2.136 674 R HA -0.227 4.113 4.340 0.000 0.000 0.242 674 R C 2.160 178.641 176.300 0.301 0.000 1.131 674 R CA 2.833 59.143 56.100 0.350 0.000 0.937 674 R CB -1.068 29.341 30.300 0.182 0.000 0.863 674 R HN 0.789 nan 8.270 nan 0.000 0.435 675 G N -0.341 108.590 108.800 0.218 0.000 2.513 675 G HA2 -0.393 3.567 3.960 0.000 0.000 0.219 675 G HA3 -0.393 3.567 3.960 0.000 0.000 0.219 675 G C 1.266 176.199 174.900 0.056 0.000 1.160 675 G CA 1.227 46.402 45.100 0.125 0.000 0.767 675 G HN 0.586 nan 8.290 nan 0.000 0.571 676 Y N 0.343 120.613 120.300 -0.050 0.000 2.114 676 Y HA -0.234 4.316 4.550 0.000 0.000 0.282 676 Y C 2.566 178.281 175.900 -0.307 0.000 1.165 676 Y CA 2.044 59.991 58.100 -0.256 0.000 1.148 676 Y CB -0.385 37.794 38.460 -0.467 0.000 0.972 676 Y HN 0.332 nan 8.280 nan 0.000 0.504 677 W N 0.100 121.396 121.300 -0.006 0.000 2.409 677 W HA -0.127 4.533 4.660 0.000 0.000 0.299 677 W C 2.671 179.139 176.519 -0.084 0.000 1.203 677 W CA 1.149 58.467 57.345 -0.044 0.000 1.298 677 W CB -0.830 28.696 29.460 0.110 0.000 1.127 677 W HN 0.097 nan 8.180 nan 0.000 0.528 678 Q N 1.359 121.258 119.800 0.166 0.000 2.135 678 Q HA -0.229 4.111 4.340 0.000 0.000 0.204 678 Q C 1.669 177.668 176.000 -0.001 0.000 0.981 678 Q CA 2.140 57.992 55.803 0.083 0.000 0.856 678 Q CB -0.413 28.369 28.738 0.072 0.000 0.902 678 Q HN 0.384 nan 8.270 nan 0.000 0.425 679 E N -0.590 119.561 120.200 -0.082 0.000 2.152 679 E HA -0.135 4.215 4.350 0.000 0.000 0.192 679 E C 1.866 178.383 176.600 -0.139 0.000 0.983 679 E CA 0.832 57.162 56.400 -0.115 0.000 0.818 679 E CB -0.137 29.468 29.700 -0.159 0.000 0.758 679 E HN 0.292 nan 8.360 nan 0.000 0.467 680 L N 1.235 122.323 121.223 -0.226 0.000 2.056 680 L HA -0.129 4.211 4.340 0.000 0.000 0.207 680 L C 2.063 178.930 176.870 -0.006 0.000 1.078 680 L CA 1.419 56.160 54.840 -0.165 0.000 0.749 680 L CB -0.211 41.704 42.059 -0.241 0.000 0.901 680 L HN 0.093 nan 8.230 nan 0.000 0.433 681 I N -0.504 120.088 120.570 0.037 0.000 2.264 681 I HA -0.323 3.847 4.170 0.000 0.000 0.248 681 I C 2.318 178.454 176.117 0.033 0.000 1.111 681 I CA 1.434 62.764 61.300 0.050 0.000 1.382 681 I CB -0.319 37.710 38.000 0.047 0.000 1.060 681 I HN 0.389 nan 8.210 nan 0.000 0.418 682 E N 0.187 120.403 120.200 0.027 0.000 2.118 682 E HA -0.235 4.115 4.350 0.000 0.000 0.195 682 E C 2.135 178.813 176.600 0.129 0.000 0.992 682 E CA 2.012 58.447 56.400 0.058 0.000 0.804 682 E CB -0.181 29.540 29.700 0.036 0.000 0.741 682 E HN 0.615 nan 8.360 nan 0.000 0.458 683 T N -0.592 114.024 114.554 0.103 0.000 2.915 683 T HA -0.061 4.289 4.350 0.000 0.000 0.269 683 T C 1.922 176.792 174.700 0.283 0.000 1.071 683 T CA 0.589 62.794 62.100 0.174 0.000 1.132 683 T CB -0.221 68.693 68.868 0.076 0.000 0.878 683 T HN 0.064 nan 8.240 nan 0.000 0.479 684 L N 0.435 121.775 121.223 0.194 0.000 2.109 684 L HA 0.047 4.388 4.340 0.000 0.000 0.207 684 L C 2.909 179.918 176.870 0.231 0.000 1.086 684 L CA 0.544 55.504 54.840 0.200 0.000 0.760 684 L CB -0.629 41.511 42.059 0.134 0.000 0.910 684 L HN 0.174 nan 8.230 nan 0.000 0.437 685 V N -0.582 119.444 119.914 0.188 0.000 2.343 685 V HA -0.289 3.831 4.120 0.000 0.000 0.247 685 V C 2.168 178.471 176.094 0.348 0.000 1.051 685 V CA 2.034 64.488 62.300 0.256 0.000 1.036 685 V CB -0.516 31.382 31.823 0.124 0.000 0.654 685 V HN 0.639 nan 8.190 nan 0.000 0.451 686 W N 1.114 122.516 121.300 0.170 0.000 2.333 686 W HA -0.252 4.408 4.660 0.000 0.000 0.316 686 W C 2.442 179.047 176.519 0.144 0.000 1.215 686 W CA 2.415 59.843 57.345 0.139 0.000 1.278 686 W CB -0.512 28.998 29.460 0.084 0.000 1.154 686 W HN 0.186 nan 8.180 nan 0.000 0.486 687 A N -0.449 122.388 122.820 0.028 0.000 1.902 687 A HA -0.301 4.019 4.320 0.000 0.000 0.217 687 A C 2.166 179.627 177.584 -0.205 0.000 1.181 687 A CA 1.971 53.865 52.037 -0.238 0.000 0.623 687 A CB -1.587 17.513 19.000 0.168 0.000 0.818 687 A HN 0.631 nan 8.150 nan 0.000 0.443 688 H N 0.140 119.193 119.070 -0.028 0.000 2.293 688 H HA -0.096 4.460 4.556 0.000 0.000 0.300 688 H C 1.839 177.098 175.328 -0.115 0.000 1.082 688 H CA 1.976 58.033 56.048 0.015 0.000 1.308 688 H CB -0.161 29.753 29.762 0.254 0.000 1.375 688 H HN 0.630 nan 8.280 nan 0.000 0.495 689 E N -0.021 120.200 120.200 0.035 0.000 2.265 689 E HA -0.132 4.218 4.350 0.000 0.000 0.196 689 E C 1.564 178.005 176.600 -0.265 0.000 0.996 689 E CA 0.405 56.743 56.400 -0.103 0.000 0.832 689 E CB 0.235 29.899 29.700 -0.060 0.000 0.756 689 E HN 0.259 nan 8.360 nan 0.000 0.491 690 R N 0.356 120.580 120.500 -0.461 0.000 2.427 690 R HA 0.145 4.485 4.340 0.000 0.000 0.262 690 R C -0.014 176.079 176.300 -0.346 0.000 0.943 690 R CA 0.177 55.993 56.100 -0.472 0.000 1.081 690 R CB 0.461 30.266 30.300 -0.825 0.000 1.166 690 R HN -0.091 nan 8.270 nan 0.000 0.534 691 T N 3.597 117.962 114.554 -0.315 0.000 2.770 691 T HA 0.340 4.691 4.350 0.000 0.000 0.297 691 T C -2.570 172.003 174.700 -0.212 0.000 0.997 691 T CA -1.641 60.313 62.100 -0.242 0.000 0.949 691 T CB 2.203 70.924 68.868 -0.245 0.000 0.941 691 T HN -0.087 nan 8.240 nan 0.000 0.457 692 P HA 0.233 nan 4.420 nan 0.000 0.268 692 P C 0.984 178.217 177.300 -0.112 0.000 1.208 692 P CA -0.074 62.958 63.100 -0.113 0.000 0.777 692 P CB 0.475 32.128 31.700 -0.078 0.000 0.875 693 L N -0.391 120.776 121.223 -0.093 0.000 3.153 693 L HA -0.399 3.942 4.340 0.000 0.000 0.369 693 L C 1.982 178.793 176.870 -0.099 0.000 3.110 693 L CA 1.815 56.609 54.840 -0.077 0.000 2.423 693 L CB -2.298 39.726 42.059 -0.059 0.000 2.474 693 L HN 0.416 nan 8.230 nan 0.000 0.797 694 A N -0.366 122.361 122.820 -0.155 0.000 1.933 694 A HA -0.191 4.129 4.320 0.000 0.000 0.218 694 A C 1.662 179.078 177.584 -0.281 0.000 1.175 694 A CA 2.228 54.122 52.037 -0.238 0.000 0.628 694 A CB -0.535 18.228 19.000 -0.395 0.000 0.814 694 A HN 0.658 nan 8.150 nan 0.000 0.444 695 N N 0.253 118.793 118.700 -0.266 0.000 2.096 695 N HA -0.184 4.556 4.740 0.000 0.000 0.195 695 N C 1.541 176.995 175.510 -0.093 0.000 1.017 695 N CA 1.508 54.452 53.050 -0.177 0.000 0.870 695 N CB -0.561 37.840 38.487 -0.144 0.000 1.024 695 N HN 0.557 nan 8.380 nan 0.000 0.434 696 L N 0.217 121.394 121.223 -0.076 0.000 2.129 696 L HA -0.124 4.216 4.340 0.000 0.000 0.212 696 L C 1.044 177.889 176.870 -0.043 0.000 1.087 696 L CA 0.712 55.519 54.840 -0.054 0.000 0.757 696 L CB -0.305 41.729 42.059 -0.042 0.000 0.896 696 L HN 0.077 nan 8.230 nan 0.000 0.434 697 V N -1.379 118.532 119.914 -0.006 0.000 2.769 697 V HA 0.606 4.726 4.120 0.000 0.000 0.312 697 V C -0.523 175.535 176.094 -0.060 0.000 1.058 697 V CA -0.775 61.518 62.300 -0.011 0.000 0.952 697 V CB 1.984 33.826 31.823 0.032 0.000 1.019 697 V HN 0.274 nan 8.190 nan 0.000 0.445 698 R N 2.720 123.102 120.500 -0.197 0.000 2.740 698 R HA 0.612 4.952 4.340 0.000 0.000 0.273 698 R C -1.494 174.592 176.300 -0.357 0.000 0.998 698 R CA -0.653 55.147 56.100 -0.500 0.000 0.900 698 R CB 1.118 31.068 30.300 -0.583 0.000 1.223 698 R HN 0.915 nan 8.270 nan 0.000 0.466 699 W N 1.281 122.504 121.300 -0.128 0.000 2.158 699 W HA 0.337 4.997 4.660 0.000 0.000 0.339 699 W C 0.804 177.287 176.519 -0.061 0.000 1.294 699 W CA -0.829 56.456 57.345 -0.100 0.000 1.231 699 W CB 0.421 29.811 29.460 -0.116 0.000 1.143 699 W HN 0.712 nan 8.180 nan 0.000 0.571 700 K N 0.160 120.673 120.400 0.189 0.000 2.211 700 K HA -0.021 4.299 4.320 0.000 0.000 0.201 700 K C -0.357 176.346 176.600 0.171 0.000 1.052 700 K CA 0.704 57.062 56.287 0.119 0.000 0.973 700 K CB 0.076 32.607 32.500 0.051 0.000 0.766 700 K HN 0.537 nan 8.250 nan 0.000 0.466 701 D N 1.991 122.496 120.400 0.175 0.000 2.256 701 D HA 0.102 4.742 4.640 0.000 0.000 0.240 701 D C -0.950 175.379 176.300 0.047 0.000 1.062 701 D CA -0.346 53.710 54.000 0.092 0.000 0.832 701 D CB 1.755 42.562 40.800 0.012 0.000 1.135 701 D HN 0.014 nan 8.370 nan 0.000 0.484 702 K N 2.620 123.030 120.400 0.016 0.000 2.416 702 K HA 0.168 4.488 4.320 0.000 0.000 0.283 702 K C -2.388 174.020 176.600 -0.319 0.000 1.037 702 K CA -1.197 54.962 56.287 -0.215 0.000 0.995 702 K CB 0.187 32.664 32.500 -0.039 0.000 0.938 702 K HN 0.094 nan 8.250 nan 0.000 0.475 703 P HA -0.001 nan 4.420 nan 0.000 0.271 703 P C -0.881 176.301 177.300 -0.196 0.000 1.220 703 P CA -0.345 62.538 63.100 -0.361 0.000 0.768 703 P CB 0.804 32.199 31.700 -0.508 0.000 0.848 704 V N -0.276 119.604 119.914 -0.058 0.000 3.049 704 V HA 0.868 4.988 4.120 0.000 0.000 0.309 704 V C -0.258 175.877 176.094 0.069 0.000 1.148 704 V CA -1.692 60.609 62.300 0.001 0.000 0.990 704 V CB 1.474 33.304 31.823 0.012 0.000 1.039 704 V HN 0.588 nan 8.190 nan 0.000 0.430 705 A N 3.114 125.985 122.820 0.086 0.000 2.507 705 A HA 0.562 4.882 4.320 0.000 0.000 0.235 705 A C 0.338 177.979 177.584 0.095 0.000 1.070 705 A CA -0.303 51.806 52.037 0.120 0.000 0.768 705 A CB -0.204 18.907 19.000 0.185 0.000 1.011 705 A HN 1.052 nan 8.150 nan 0.000 0.502 706 L N 1.479 122.732 121.223 0.049 0.000 2.492 706 L HA 0.137 4.477 4.340 0.000 0.000 0.280 706 L C 1.432 178.306 176.870 0.007 0.000 1.240 706 L CA 0.048 54.870 54.840 -0.030 0.000 0.831 706 L CB 0.175 42.141 42.059 -0.156 0.000 1.100 706 L HN 0.977 nan 8.230 nan 0.000 0.505 707 S N 1.238 116.947 115.700 0.015 0.000 2.634 707 S HA 0.236 4.706 4.470 0.000 0.000 0.261 707 S C 1.131 175.690 174.600 -0.068 0.000 1.271 707 S CA -0.622 57.592 58.200 0.024 0.000 0.985 707 S CB 0.782 64.070 63.200 0.147 0.000 0.968 707 S HN 0.500 nan 8.310 nan 0.000 0.568 708 I N 0.508 121.020 120.570 -0.097 0.000 2.179 708 I HA -0.143 4.027 4.170 0.000 0.000 0.242 708 I C 2.392 178.315 176.117 -0.324 0.000 1.088 708 I CA 1.133 62.306 61.300 -0.212 0.000 1.357 708 I CB -0.546 37.333 38.000 -0.202 0.000 1.051 708 I HN 0.492 nan 8.210 nan 0.000 0.409 709 V N 0.372 120.083 119.914 -0.340 0.000 2.358 709 V HA -0.316 3.804 4.120 0.000 0.000 0.246 709 V C 2.470 178.273 176.094 -0.486 0.000 1.047 709 V CA 1.948 63.916 62.300 -0.554 0.000 1.035 709 V CB -0.735 30.665 31.823 -0.706 0.000 0.658 709 V HN 0.499 nan 8.190 nan 0.000 0.452 710 Q N 0.053 119.636 119.800 -0.362 0.000 2.077 710 Q HA -0.289 4.051 4.340 0.000 0.000 0.206 710 Q C 2.244 178.068 176.000 -0.293 0.000 0.989 710 Q CA 2.440 58.039 55.803 -0.340 0.000 0.853 710 Q CB -0.339 28.222 28.738 -0.295 0.000 0.907 710 Q HN 0.640 nan 8.270 nan 0.000 0.418 711 A N 0.711 123.390 122.820 -0.236 0.000 1.933 711 A HA -0.204 4.116 4.320 0.000 0.000 0.218 711 A C 2.028 179.539 177.584 -0.122 0.000 1.175 711 A CA 1.513 53.460 52.037 -0.150 0.000 0.628 711 A CB -0.496 18.481 19.000 -0.039 0.000 0.814 711 A HN 0.387 nan 8.150 nan 0.000 0.444 712 R N -1.222 119.151 120.500 -0.211 0.000 2.083 712 R HA -0.137 4.203 4.340 0.000 0.000 0.237 712 R C 2.141 178.474 176.300 0.055 0.000 1.137 712 R CA 1.517 57.476 56.100 -0.236 0.000 0.951 712 R CB -0.604 29.343 30.300 -0.587 0.000 0.851 712 R HN 0.494 nan 8.270 nan 0.000 0.434 713 L N 0.694 121.984 121.223 0.113 0.000 2.017 713 L HA -0.130 4.210 4.340 0.000 0.000 0.208 713 L C 2.063 178.952 176.870 0.032 0.000 1.073 713 L CA 1.628 56.585 54.840 0.196 0.000 0.745 713 L CB -0.396 41.750 42.059 0.146 0.000 0.894 713 L HN -0.078 nan 8.230 nan 0.000 0.432 714 V N 0.049 119.874 119.914 -0.149 0.000 2.358 714 V HA -0.150 3.970 4.120 0.000 0.000 0.246 714 V C 2.600 178.606 176.094 -0.147 0.000 1.047 714 V CA 1.635 63.768 62.300 -0.279 0.000 1.035 714 V CB -1.476 29.917 31.823 -0.717 0.000 0.658 714 V HN 0.624 nan 8.190 nan 0.000 0.452 715 G N 0.033 108.779 108.800 -0.089 0.000 2.433 715 G HA2 -0.266 3.694 3.960 0.000 0.000 0.216 715 G HA3 -0.266 3.694 3.960 0.000 0.000 0.216 715 G C 1.589 176.643 174.900 0.256 0.000 1.186 715 G CA 1.178 46.389 45.100 0.185 0.000 0.779 715 G HN 0.445 nan 8.290 nan 0.000 0.543 716 L N 1.434 122.777 121.223 0.199 0.000 2.079 716 L HA 0.119 4.459 4.340 0.000 0.000 0.210 716 L C 2.985 179.917 176.870 0.104 0.000 1.081 716 L CA 2.187 57.051 54.840 0.041 0.000 0.752 716 L CB -0.679 41.337 42.059 -0.073 0.000 0.896 716 L HN 0.236 nan 8.230 nan 0.000 0.433 717 A N -1.421 121.480 122.820 0.134 0.000 1.898 717 A HA -0.231 4.089 4.320 0.000 0.000 0.216 717 A C 2.089 179.763 177.584 0.151 0.000 1.181 717 A CA 1.777 53.885 52.037 0.118 0.000 0.620 717 A CB -0.937 18.094 19.000 0.052 0.000 0.819 717 A HN 0.645 nan 8.150 nan 0.000 0.442 718 H N -1.867 117.264 119.070 0.102 0.000 2.293 718 H HA -0.064 4.492 4.556 0.000 0.000 0.300 718 H C 1.727 177.196 175.328 0.234 0.000 1.082 718 H CA 1.940 58.072 56.048 0.141 0.000 1.308 718 H CB -0.502 29.360 29.762 0.166 0.000 1.375 718 H HN 0.543 nan 8.280 nan 0.000 0.495 719 F N 1.044 121.156 119.950 0.269 0.000 2.063 719 F HA -0.318 4.209 4.527 0.000 0.000 0.298 719 F C 2.477 178.478 175.800 0.334 0.000 1.109 719 F CA 1.816 59.978 58.000 0.269 0.000 1.212 719 F CB -0.319 38.771 39.000 0.151 0.000 0.973 719 F HN 0.020 nan 8.300 nan 0.000 0.480 720 S N -0.279 115.673 115.700 0.420 0.000 2.356 720 S HA -0.179 4.291 4.470 0.000 0.000 0.223 720 S C 2.129 176.880 174.600 0.253 0.000 1.032 720 S CA 1.350 59.725 58.200 0.291 0.000 1.005 720 S CB -0.659 62.672 63.200 0.219 0.000 0.867 720 S HN 0.255 nan 8.310 nan 0.000 0.449 721 V N 1.614 121.643 119.914 0.192 0.000 2.343 721 V HA -0.160 3.960 4.120 0.000 0.000 0.247 721 V C 2.579 178.766 176.094 0.155 0.000 1.051 721 V CA 2.006 64.392 62.300 0.144 0.000 1.036 721 V CB -1.413 30.457 31.823 0.078 0.000 0.654 721 V HN 0.600 nan 8.190 nan 0.000 0.451 722 G N -1.972 106.922 108.800 0.157 0.000 2.402 722 G HA2 -0.313 3.647 3.960 0.000 0.000 0.216 722 G HA3 -0.313 3.647 3.960 0.000 0.000 0.216 722 G C 1.541 176.463 174.900 0.037 0.000 1.162 722 G CA 0.973 46.131 45.100 0.096 0.000 0.777 722 G HN 0.530 nan 8.290 nan 0.000 0.539 723 Y N 1.015 121.291 120.300 -0.040 0.000 2.081 723 Y HA -0.162 4.388 4.550 0.000 0.000 0.280 723 Y C 2.612 178.479 175.900 -0.055 0.000 1.163 723 Y CA 1.787 59.804 58.100 -0.138 0.000 1.135 723 Y CB -0.089 38.352 38.460 -0.032 0.000 0.970 723 Y HN 0.179 nan 8.280 nan 0.000 0.498 724 I N -0.651 120.049 120.570 0.216 0.000 2.286 724 I HA -0.297 3.873 4.170 0.000 0.000 0.245 724 I C 2.206 178.392 176.117 0.116 0.000 1.104 724 I CA 0.951 62.294 61.300 0.072 0.000 1.397 724 I CB -0.330 37.671 38.000 0.002 0.000 1.072 724 I HN 0.229 nan 8.210 nan 0.000 0.417 725 L N -0.194 121.120 121.223 0.152 0.000 2.056 725 L HA -0.173 4.167 4.340 0.000 0.000 0.207 725 L C 2.610 179.620 176.870 0.232 0.000 1.078 725 L CA 1.408 56.383 54.840 0.226 0.000 0.749 725 L CB -0.906 41.338 42.059 0.307 0.000 0.901 725 L HN 0.249 nan 8.230 nan 0.000 0.433 726 T N -1.164 113.454 114.554 0.107 0.000 2.684 726 T HA -0.272 4.078 4.350 0.000 0.000 0.267 726 T C 1.718 176.574 174.700 0.260 0.000 1.036 726 T CA 1.626 63.763 62.100 0.063 0.000 1.148 726 T CB -0.371 68.277 68.868 -0.367 0.000 0.863 726 T HN 0.282 nan 8.240 nan 0.000 0.436 727 Y N 1.637 121.974 120.300 0.061 0.000 2.263 727 Y HA 0.125 4.675 4.550 0.000 0.000 0.292 727 Y C 2.456 178.468 175.900 0.187 0.000 1.130 727 Y CA 0.571 58.765 58.100 0.157 0.000 1.179 727 Y CB -0.609 37.926 38.460 0.126 0.000 0.998 727 Y HN 0.180 nan 8.280 nan 0.000 0.532 728 A N 0.250 123.153 122.820 0.139 0.000 1.898 728 A HA -0.094 4.226 4.320 0.000 0.000 0.216 728 A C 2.427 179.981 177.584 -0.051 0.000 1.181 728 A CA 1.756 53.812 52.037 0.031 0.000 0.620 728 A CB -1.428 17.668 19.000 0.160 0.000 0.819 728 A HN 0.531 nan 8.150 nan 0.000 0.442 729 A N -0.941 121.995 122.820 0.194 0.000 1.883 729 A HA -0.064 4.256 4.320 0.000 0.000 0.217 729 A C 2.070 179.610 177.584 -0.074 0.000 1.186 729 A CA 1.737 53.934 52.037 0.266 0.000 0.624 729 A CB -0.750 18.588 19.000 0.562 0.000 0.822 729 A HN 0.767 nan 8.150 nan 0.000 0.444 730 F N 0.307 120.126 119.950 -0.219 0.000 2.084 730 F HA -0.112 4.415 4.527 0.000 0.000 0.296 730 F C 1.859 177.346 175.800 -0.523 0.000 1.111 730 F CA 1.727 59.460 58.000 -0.445 0.000 1.224 730 F CB -0.560 38.226 39.000 -0.356 0.000 0.991 730 F HN 0.191 nan 8.300 nan 0.000 0.471 731 L N 0.553 121.286 121.223 -0.815 0.000 1.990 731 L HA -0.243 4.097 4.340 0.000 0.000 0.213 731 L C 2.244 178.647 176.870 -0.779 0.000 1.072 731 L CA 1.856 56.109 54.840 -0.979 0.000 0.755 731 L CB -0.895 40.662 42.059 -0.837 0.000 0.889 731 L HN 0.218 nan 8.230 nan 0.000 0.432 732 I N -0.158 119.953 120.570 -0.765 0.000 2.163 732 I HA -0.212 3.958 4.170 0.000 0.000 0.240 732 I C 2.682 178.260 176.117 -0.899 0.000 1.081 732 I CA 1.517 62.246 61.300 -0.951 0.000 1.353 732 I CB -1.808 35.347 38.000 -1.409 0.000 1.054 732 I HN 0.398 nan 8.210 nan 0.000 0.407 733 A N 1.090 123.400 122.820 -0.850 0.000 1.898 733 A HA -0.190 4.130 4.320 0.000 0.000 0.216 733 A C 2.551 179.871 177.584 -0.440 0.000 1.181 733 A CA 2.224 53.915 52.037 -0.576 0.000 0.620 733 A CB -0.823 17.956 19.000 -0.369 0.000 0.819 733 A HN 0.559 nan 8.150 nan 0.000 0.442 734 S N -0.762 114.612 115.700 -0.543 0.000 2.368 734 S HA -0.154 4.316 4.470 0.000 0.000 0.225 734 S C 1.823 176.258 174.600 -0.274 0.000 1.030 734 S CA 2.056 59.976 58.200 -0.466 0.000 0.999 734 S CB -1.115 61.608 63.200 -0.795 0.000 0.844 734 S HN 0.474 nan 8.310 nan 0.000 0.459 735 T N 2.232 116.638 114.554 -0.247 0.000 2.896 735 T HA 0.297 4.647 4.350 0.000 0.000 0.263 735 T C 2.219 176.834 174.700 -0.141 0.000 1.050 735 T CA 1.018 63.068 62.100 -0.083 0.000 1.140 735 T CB -0.657 68.220 68.868 0.014 0.000 0.877 735 T HN 0.604 nan 8.240 nan 0.000 0.457 736 A N 1.467 124.137 122.820 -0.251 0.000 1.969 736 A HA 0.281 4.601 4.320 0.000 0.000 0.218 736 A C 2.505 180.025 177.584 -0.107 0.000 1.169 736 A CA 1.469 53.399 52.037 -0.179 0.000 0.635 736 A CB -0.835 18.036 19.000 -0.215 0.000 0.810 736 A HN 0.483 nan 8.150 nan 0.000 0.445 737 A N -1.482 121.260 122.820 -0.130 0.000 2.168 737 A HA 0.339 4.659 4.320 0.000 0.000 0.215 737 A C 1.823 179.367 177.584 -0.067 0.000 1.152 737 A CA 2.156 54.137 52.037 -0.094 0.000 0.716 737 A CB -0.444 18.486 19.000 -0.117 0.000 0.794 737 A HN 0.701 nan 8.150 nan 0.000 0.465 738 K N -3.074 117.293 120.400 -0.055 0.000 4.110 738 K HA 0.726 5.046 4.320 0.000 0.000 0.278 738 K C 0.614 177.217 176.600 0.006 0.000 1.347 738 K CA 1.299 57.574 56.287 -0.019 0.000 1.625 738 K CB -0.591 31.905 32.500 -0.007 0.000 2.825 738 K HN 1.840 nan 8.250 nan 0.000 0.700 739 F N 0.000 119.977 119.950 0.044 0.000 2.286 739 F HA 0.000 4.527 4.527 0.000 0.000 0.279 739 F CA 0.000 58.057 58.000 0.095 0.000 1.383 739 F CB 0.000 39.066 39.000 0.110 0.000 1.145 739 F HN 0.000 nan 8.300 nan 0.000 0.574