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 1hm3_1_A DATA FIRST_RESID 26 DATA SEQUENCE GTAELIMKRV MLDLKKPLRN MDKVAEKNLN TLQPDGSWKD VPYKDDAMTN DATA SEQUENCE WLPNNHLLQL ETIIQAYIEK DSHYYGDDKV FDQISKAFKY WYDSDPKSRN DATA SEQUENCE WWHNEIATPQ ALGEMLILMR YGKKPLDEAL VHKLTERMKR GEPEKKTGAN DATA SEQUENCE KTDIALHYFY RALLTSDEAL LSFAVKELFY PVQFVHYEEG LQYDYSYLQH DATA SEQUENCE GPQLQISSYG AVFITGVLKL ANYVRDTPYA LSTEKLAIFS KYYRDSYLKA DATA SEQUENCE IRGSYMDFNV EGRGVSRPDI LNKKAEKKRL LVAKMIDLKH TEEWADAIAR DATA SEQUENCE TDSTVAAGYK IEPYHHQFWN GDYVQHLRPA YSFNVRMVSK RTRRSESGNK DATA SEQUENCE ENLLGRYLSD GATNIQLRGP EYYNIMPVWE WDKIPGITSR DYLTDRPLTK DATA SEQUENCE LWGEQGSNDF AGGVSDGVYG ASAYALDYDS LQAKKAWFFF DKEIVCLGAG DATA SEQUENCE INSNAPENIT TTLNQSWLNG PVISTAGKTG RGKITTFKAQ GQFWLLHDAI DATA SEQUENCE GYYFPEGANL SLSTQSQKGN WFHINNSHSK DEVSGDVFKL WINHGARPEN DATA SEQUENCE AQYAYIVLPG INKPEEIKKY NGTAPKVLAN TNQLQAVYHQ QLDMVQAIFY DATA SEQUENCE TAGKLSVAGI EIETDKPCAV LIKHINGKQV IWAADPLQKE KTAVLSIRDL DATA SEQUENCE KTGKTNRVKI DFPQQEFAGA TVEL 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 26 G HA2 0.000 nan 3.960 nan 0.000 0.244 26 G HA3 0.000 3.962 3.960 0.004 0.000 0.244 26 G C 0.000 174.944 174.900 0.073 0.000 0.946 26 G CA 0.000 45.132 45.100 0.054 0.000 0.502 27 T N 1.734 116.345 114.554 0.095 0.000 2.851 27 T HA 0.075 4.427 4.350 0.004 0.000 0.262 27 T C 2.786 177.564 174.700 0.130 0.000 1.043 27 T CA 2.111 64.292 62.100 0.135 0.000 1.140 27 T CB -0.058 68.927 68.868 0.197 0.000 0.872 27 T HN 0.872 nan 8.240 nan 0.000 0.446 28 A N 1.547 124.428 122.820 0.102 0.000 1.902 28 A HA -0.121 4.201 4.320 0.004 0.000 0.217 28 A C 2.201 179.804 177.584 0.032 0.000 1.181 28 A CA 1.899 53.963 52.037 0.045 0.000 0.623 28 A CB -0.564 18.445 19.000 0.015 0.000 0.818 28 A HN 0.413 nan 8.150 nan 0.000 0.443 29 E N -0.215 120.011 120.200 0.044 0.000 2.077 29 E HA -0.162 4.190 4.350 0.004 0.000 0.193 29 E C 1.796 178.444 176.600 0.080 0.000 0.989 29 E CA 1.267 57.698 56.400 0.052 0.000 0.800 29 E CB -0.434 29.294 29.700 0.047 0.000 0.746 29 E HN 0.434 nan 8.360 nan 0.000 0.452 30 L N 0.321 121.593 121.223 0.082 0.000 2.017 30 L HA -0.084 4.258 4.340 0.004 0.000 0.208 30 L C 2.191 179.117 176.870 0.094 0.000 1.073 30 L CA 1.709 56.602 54.840 0.089 0.000 0.745 30 L CB -0.516 41.599 42.059 0.094 0.000 0.894 30 L HN 0.247 nan 8.230 nan 0.000 0.432 31 I N -1.079 119.553 120.570 0.103 0.000 2.226 31 I HA -0.335 3.837 4.170 0.004 0.000 0.245 31 I C 2.592 178.732 176.117 0.037 0.000 1.100 31 I CA 1.896 63.267 61.300 0.120 0.000 1.374 31 I CB -0.304 37.786 38.000 0.150 0.000 1.057 31 I HN 0.396 nan 8.210 nan 0.000 0.413 32 M N 0.641 120.246 119.600 0.009 0.000 2.175 32 M HA -0.228 4.254 4.480 0.004 0.000 0.264 32 M C 2.267 178.587 176.300 0.034 0.000 1.063 32 M CA 1.651 56.945 55.300 -0.009 0.000 1.119 32 M CB -0.030 32.589 32.600 0.031 0.000 1.377 32 M HN -0.029 nan 8.290 nan 0.000 0.415 33 K N 0.581 121.030 120.400 0.082 0.000 2.063 33 K HA -0.156 4.166 4.320 0.004 0.000 0.208 33 K C 1.711 178.250 176.600 -0.102 0.000 1.048 33 K CA 1.797 58.079 56.287 -0.009 0.000 0.928 33 K CB -0.202 32.329 32.500 0.053 0.000 0.713 33 K HN 0.346 nan 8.250 nan 0.000 0.442 34 R N -0.396 120.088 120.500 -0.026 0.000 2.073 34 R HA -0.066 4.276 4.340 0.004 0.000 0.234 34 R C 2.255 178.508 176.300 -0.078 0.000 1.134 34 R CA 1.517 57.624 56.100 0.013 0.000 0.952 34 R CB -0.567 29.817 30.300 0.141 0.000 0.850 34 R HN 0.021 nan 8.270 nan 0.000 0.433 35 V N 1.686 121.418 119.914 -0.302 0.000 2.332 35 V HA -0.312 3.811 4.120 0.004 0.000 0.248 35 V C 2.494 178.462 176.094 -0.210 0.000 1.055 35 V CA 1.773 63.778 62.300 -0.491 0.000 1.038 35 V CB -0.541 30.989 31.823 -0.489 0.000 0.651 35 V HN 0.395 nan 8.190 nan 0.000 0.450 36 M N -0.116 119.358 119.600 -0.210 0.000 2.065 36 M HA -0.196 4.286 4.480 0.004 0.000 0.259 36 M C 2.203 178.385 176.300 -0.196 0.000 1.069 36 M CA 2.165 57.314 55.300 -0.253 0.000 1.110 36 M CB -0.783 31.437 32.600 -0.634 0.000 1.328 36 M HN 0.295 nan 8.290 nan 0.000 0.405 37 L N 0.140 121.254 121.223 -0.181 0.000 2.079 37 L HA -0.244 4.099 4.340 0.004 0.000 0.210 37 L C 2.153 179.007 176.870 -0.027 0.000 1.081 37 L CA 1.771 56.551 54.840 -0.100 0.000 0.752 37 L CB -0.897 41.122 42.059 -0.067 0.000 0.896 37 L HN 0.337 nan 8.230 nan 0.000 0.433 38 D N -0.029 120.386 120.400 0.025 0.000 2.219 38 D HA -0.131 4.511 4.640 0.004 0.000 0.205 38 D C 2.152 178.487 176.300 0.059 0.000 0.970 38 D CA 0.905 54.964 54.000 0.098 0.000 0.851 38 D CB 0.109 41.083 40.800 0.289 0.000 0.943 38 D HN 0.228 nan 8.370 nan 0.000 0.488 39 L N -0.167 121.063 121.223 0.011 0.000 2.446 39 L HA 0.058 4.400 4.340 0.004 0.000 0.219 39 L C 0.942 177.807 176.870 -0.008 0.000 1.116 39 L CA 0.107 54.947 54.840 -0.001 0.000 0.844 39 L CB -0.131 41.906 42.059 -0.037 0.000 0.970 39 L HN -0.141 nan 8.230 nan 0.000 0.457 40 K N 1.982 122.370 120.400 -0.020 0.000 2.485 40 K HA 0.073 4.395 4.320 0.004 0.000 0.277 40 K C -0.020 176.576 176.600 -0.007 0.000 0.990 40 K CA 0.467 56.744 56.287 -0.017 0.000 0.994 40 K CB 0.578 33.059 32.500 -0.031 0.000 0.906 40 K HN -0.021 nan 8.250 nan 0.000 0.488 41 K N 2.353 122.751 120.400 -0.004 0.000 2.166 41 K HA 0.407 4.729 4.320 0.004 0.000 0.245 41 K C -2.281 174.314 176.600 -0.009 0.000 0.967 41 K CA -1.966 54.318 56.287 -0.005 0.000 0.863 41 K CB 0.869 33.367 32.500 -0.003 0.000 1.107 41 K HN 0.307 nan 8.250 nan 0.000 0.436 42 P HA -0.037 nan 4.420 nan 0.000 0.265 42 P C 0.660 177.949 177.300 -0.017 0.000 1.187 42 P CA -0.180 62.912 63.100 -0.015 0.000 0.766 42 P CB 0.457 32.149 31.700 -0.013 0.000 0.820 43 L N 2.818 124.026 121.223 -0.025 0.000 2.291 43 L HA 0.027 4.369 4.340 0.004 0.000 0.214 43 L C 1.083 177.934 176.870 -0.033 0.000 1.120 43 L CA 1.140 55.960 54.840 -0.034 0.000 0.799 43 L CB -0.678 41.353 42.059 -0.046 0.000 0.925 43 L HN 0.242 nan 8.230 nan 0.000 0.446 44 R N 0.648 121.133 120.500 -0.025 0.000 2.449 44 R HA -0.015 4.328 4.340 0.004 0.000 0.296 44 R C 0.497 176.789 176.300 -0.014 0.000 1.047 44 R CA 0.486 56.573 56.100 -0.021 0.000 1.018 44 R CB -0.056 30.234 30.300 -0.016 0.000 0.962 44 R HN 0.367 nan 8.270 nan 0.000 0.428 45 N N 2.578 121.272 118.700 -0.011 0.000 2.815 45 N HA -0.305 4.437 4.740 0.004 0.000 0.247 45 N C 0.726 176.241 175.510 0.009 0.000 1.030 45 N CA 1.618 54.669 53.050 0.002 0.000 0.881 45 N CB -1.010 37.478 38.487 0.003 0.000 1.134 45 N HN 0.763 nan 8.380 nan 0.000 0.582 46 M N 0.377 119.977 119.600 -0.000 0.000 2.086 46 M HA -0.150 4.332 4.480 0.004 0.000 0.261 46 M C 1.080 177.412 176.300 0.052 0.000 1.067 46 M CA 1.884 57.193 55.300 0.014 0.000 1.116 46 M CB -0.024 32.579 32.600 0.005 0.000 1.348 46 M HN -0.076 nan 8.290 nan 0.000 0.407 47 D N 0.377 120.798 120.400 0.035 0.000 2.178 47 D HA -0.149 4.493 4.640 0.004 0.000 0.202 47 D C 1.853 178.302 176.300 0.249 0.000 0.974 47 D CA 1.085 55.165 54.000 0.133 0.000 0.841 47 D CB -0.254 40.381 40.800 -0.275 0.000 0.953 47 D HN 0.467 nan 8.370 nan 0.000 0.478 48 K N 0.592 121.073 120.400 0.135 0.000 2.025 48 K HA -0.089 4.234 4.320 0.004 0.000 0.207 48 K C 1.913 178.574 176.600 0.102 0.000 1.049 48 K CA 0.851 57.214 56.287 0.127 0.000 0.933 48 K CB 0.022 32.565 32.500 0.071 0.000 0.714 48 K HN -0.094 nan 8.250 nan 0.000 0.438 49 V N 1.453 121.404 119.914 0.061 0.000 2.358 49 V HA -0.219 3.903 4.120 0.004 0.000 0.246 49 V C 2.470 178.578 176.094 0.023 0.000 1.047 49 V CA 1.919 64.232 62.300 0.022 0.000 1.035 49 V CB -0.682 31.136 31.823 -0.009 0.000 0.658 49 V HN 0.510 nan 8.190 nan 0.000 0.452 50 A N -0.258 122.592 122.820 0.049 0.000 1.908 50 A HA -0.301 4.021 4.320 0.004 0.000 0.218 50 A C 2.305 179.873 177.584 -0.025 0.000 1.181 50 A CA 2.151 54.185 52.037 -0.004 0.000 0.627 50 A CB -0.523 18.481 19.000 0.008 0.000 0.818 50 A HN 0.650 nan 8.150 nan 0.000 0.445 51 E N -0.172 120.111 120.200 0.137 0.000 2.106 51 E HA -0.230 4.122 4.350 0.004 0.000 0.192 51 E C 2.069 178.729 176.600 0.100 0.000 0.984 51 E CA 1.377 57.883 56.400 0.177 0.000 0.806 51 E CB -0.158 29.735 29.700 0.322 0.000 0.750 51 E HN 0.626 nan 8.360 nan 0.000 0.458 52 K N 0.264 120.713 120.400 0.082 0.000 2.009 52 K HA -0.186 4.136 4.320 0.004 0.000 0.210 52 K C 1.821 178.466 176.600 0.075 0.000 1.049 52 K CA 1.814 58.136 56.287 0.059 0.000 0.929 52 K CB -0.042 32.473 32.500 0.026 0.000 0.714 52 K HN 0.125 nan 8.250 nan 0.000 0.440 53 N N 0.747 119.487 118.700 0.067 0.000 2.354 53 N HA -0.119 4.623 4.740 0.004 0.000 0.179 53 N C 1.693 177.405 175.510 0.338 0.000 1.021 53 N CA 0.565 53.731 53.050 0.194 0.000 0.887 53 N CB -0.159 38.342 38.487 0.023 0.000 0.974 53 N HN 0.124 nan 8.380 nan 0.000 0.437 54 L N 1.934 123.230 121.223 0.121 0.000 2.056 54 L HA -0.065 4.277 4.340 0.004 0.000 0.207 54 L C 1.908 178.795 176.870 0.030 0.000 1.078 54 L CA 1.441 56.293 54.840 0.021 0.000 0.749 54 L CB -1.069 40.914 42.059 -0.127 0.000 0.901 54 L HN 0.106 nan 8.230 nan 0.000 0.433 55 N N -1.642 117.097 118.700 0.065 0.000 2.166 55 N HA -0.211 4.531 4.740 0.004 0.000 0.186 55 N C 1.721 177.262 175.510 0.051 0.000 1.019 55 N CA 1.850 54.933 53.050 0.056 0.000 0.856 55 N CB -0.187 38.340 38.487 0.067 0.000 0.993 55 N HN 0.348 nan 8.380 nan 0.000 0.426 56 T N -0.893 113.731 114.554 0.117 0.000 3.107 56 T HA 0.136 4.488 4.350 0.004 0.000 0.249 56 T C 0.137 174.838 174.700 0.001 0.000 1.096 56 T CA -0.458 61.722 62.100 0.134 0.000 1.012 56 T CB -0.437 68.585 68.868 0.257 0.000 0.977 56 T HN 0.157 nan 8.240 nan 0.000 0.527 57 L N 3.434 124.559 121.223 -0.163 0.000 2.433 57 L HA 0.345 4.687 4.340 0.004 0.000 0.275 57 L C 0.245 176.869 176.870 -0.411 0.000 1.128 57 L CA 0.027 54.477 54.840 -0.649 0.000 0.875 57 L CB 0.406 42.080 42.059 -0.642 0.000 1.171 57 L HN 0.252 nan 8.230 nan 0.000 0.463 58 Q N 6.166 125.711 119.800 -0.426 0.000 2.454 58 Q HA 0.098 4.440 4.340 0.004 0.000 0.247 58 Q C -1.467 174.383 176.000 -0.250 0.000 1.028 58 Q CA -1.176 54.466 55.803 -0.268 0.000 0.910 58 Q CB 0.183 28.776 28.738 -0.242 0.000 1.276 58 Q HN 0.526 nan 8.270 nan 0.000 0.489 59 P HA -0.199 nan 4.420 nan 0.000 0.219 59 P C 0.511 177.731 177.300 -0.133 0.000 1.146 59 P CA 1.203 64.228 63.100 -0.125 0.000 0.808 59 P CB 0.213 31.864 31.700 -0.082 0.000 0.779 60 D N -1.058 119.244 120.400 -0.163 0.000 2.182 60 D HA -0.107 4.535 4.640 0.004 0.000 0.201 60 D C 1.599 177.784 176.300 -0.192 0.000 0.986 60 D CA 1.879 55.783 54.000 -0.160 0.000 0.847 60 D CB -0.667 39.994 40.800 -0.232 0.000 0.942 60 D HN 0.185 nan 8.370 nan 0.000 0.467 61 G N -0.651 107.965 108.800 -0.308 0.000 2.159 61 G HA2 -0.204 3.758 3.960 0.004 0.000 0.227 61 G HA3 -0.204 3.758 3.960 0.004 0.000 0.227 61 G C 0.234 174.848 174.900 -0.477 0.000 0.986 61 G CA 0.673 45.592 45.100 -0.302 0.000 0.651 61 G HN 0.699 nan 8.290 nan 0.000 0.523 62 S N -0.803 114.457 115.700 -0.734 0.000 2.607 62 S HA 0.805 5.277 4.470 0.004 0.000 0.303 62 S C -0.496 173.838 174.600 -0.443 0.000 1.086 62 S CA -0.950 56.760 58.200 -0.818 0.000 0.995 62 S CB 2.046 64.289 63.200 -1.595 0.000 1.084 62 S HN 0.453 nan 8.310 nan 0.000 0.507 63 W N 1.167 122.524 121.300 0.094 0.000 2.417 63 W HA 0.438 5.101 4.660 0.004 0.000 0.315 63 W C 1.294 177.881 176.519 0.113 0.000 1.045 63 W CA -0.684 56.711 57.345 0.082 0.000 1.221 63 W CB 1.520 31.029 29.460 0.083 0.000 1.309 63 W HN 1.119 nan 8.180 nan 0.000 0.453 64 K N 1.738 122.270 120.400 0.220 0.000 2.074 64 K HA -0.216 4.106 4.320 0.004 0.000 0.209 64 K C 0.894 177.586 176.600 0.153 0.000 1.048 64 K CA 2.085 58.461 56.287 0.150 0.000 0.926 64 K CB -0.408 32.143 32.500 0.085 0.000 0.713 64 K HN 0.405 nan 8.250 nan 0.000 0.444 65 D N -0.119 120.365 120.400 0.140 0.000 2.352 65 D HA 0.076 4.718 4.640 0.004 0.000 0.232 65 D C -0.460 175.841 176.300 0.003 0.000 1.055 65 D CA 0.228 54.263 54.000 0.058 0.000 0.891 65 D CB 0.138 40.952 40.800 0.023 0.000 0.897 65 D HN 0.225 nan 8.370 nan 0.000 0.529 66 V N 2.491 122.419 119.914 0.023 0.000 2.350 66 V HA 0.186 4.308 4.120 0.004 0.000 0.276 66 V C -2.191 173.745 176.094 -0.263 0.000 1.028 66 V CA -1.564 60.609 62.300 -0.212 0.000 0.860 66 V CB 1.662 33.264 31.823 -0.369 0.000 0.990 66 V HN -0.148 nan 8.190 nan 0.000 0.453 67 P HA 0.205 nan 4.420 nan 0.000 0.244 67 P C 0.065 177.277 177.300 -0.147 0.000 1.769 67 P CA -0.211 62.829 63.100 -0.100 0.000 1.102 67 P CB -0.176 31.472 31.700 -0.087 0.000 1.937 68 Y N 0.669 120.972 120.300 0.006 0.000 2.556 68 Y HA -0.187 4.365 4.550 0.004 0.000 0.290 68 Y C 1.933 177.804 175.900 -0.048 0.000 1.149 68 Y CA 1.092 59.176 58.100 -0.026 0.000 1.329 68 Y CB -0.443 38.045 38.460 0.047 0.000 0.975 68 Y HN 0.136 nan 8.280 nan 0.000 0.561 69 K N 0.278 120.739 120.400 0.102 0.000 2.356 69 K HA -0.002 4.320 4.320 0.004 0.000 0.195 69 K C -0.058 176.586 176.600 0.074 0.000 1.037 69 K CA 0.193 56.526 56.287 0.077 0.000 1.014 69 K CB -0.461 32.080 32.500 0.068 0.000 0.815 69 K HN 0.349 nan 8.250 nan 0.000 0.507 70 D N 2.422 122.836 120.400 0.024 0.000 2.488 70 D HA -0.088 4.554 4.640 0.004 0.000 0.238 70 D C 0.066 176.492 176.300 0.211 0.000 1.138 70 D CA 0.344 54.370 54.000 0.043 0.000 0.873 70 D CB 0.628 41.384 40.800 -0.073 0.000 1.183 70 D HN 0.102 nan 8.370 nan 0.000 0.458 71 D N 2.208 122.766 120.400 0.263 0.000 2.673 71 D HA 0.192 4.834 4.640 0.004 0.000 0.278 71 D C -0.082 176.398 176.300 0.299 0.000 1.393 71 D CA -0.538 53.686 54.000 0.373 0.000 0.805 71 D CB -0.311 40.615 40.800 0.209 0.000 1.110 71 D HN 0.405 nan 8.370 nan 0.000 0.476 72 A N 0.521 123.530 122.820 0.316 0.000 2.555 72 A HA 0.203 4.525 4.320 0.004 0.000 0.233 72 A C 1.426 179.140 177.584 0.216 0.000 1.060 72 A CA 0.029 52.197 52.037 0.220 0.000 0.759 72 A CB 0.301 19.402 19.000 0.170 0.000 0.995 72 A HN 0.298 nan 8.150 nan 0.000 0.506 73 M N 1.794 121.497 119.600 0.170 0.000 2.077 73 M HA -0.029 4.453 4.480 0.004 0.000 0.261 73 M C 1.269 177.727 176.300 0.263 0.000 1.070 73 M CA 2.482 57.892 55.300 0.183 0.000 1.125 73 M CB -0.364 32.322 32.600 0.144 0.000 1.339 73 M HN 0.921 nan 8.290 nan 0.000 0.409 74 T N -2.224 112.451 114.554 0.202 0.000 2.942 74 T HA 0.426 4.778 4.350 0.004 0.000 0.289 74 T C -0.083 174.711 174.700 0.157 0.000 1.044 74 T CA -0.798 61.424 62.100 0.204 0.000 1.023 74 T CB 1.210 70.121 68.868 0.072 0.000 1.123 74 T HN 0.400 nan 8.240 nan 0.000 0.512 75 N N -0.279 118.502 118.700 0.135 0.000 2.727 75 N HA -0.150 4.592 4.740 0.004 0.000 0.251 75 N C -1.250 174.308 175.510 0.079 0.000 1.040 75 N CA 0.501 53.591 53.050 0.066 0.000 0.712 75 N CB -1.259 37.227 38.487 -0.001 0.000 0.912 75 N HN 0.850 nan 8.380 nan 0.000 0.545 76 W N 2.326 123.519 121.300 -0.179 0.000 2.510 76 W HA 0.293 4.955 4.660 0.003 0.000 0.388 76 W C 1.146 177.576 176.519 -0.147 0.000 1.092 76 W CA -0.527 56.649 57.345 -0.282 0.000 1.562 76 W CB -0.452 28.540 29.460 -0.780 0.000 1.603 76 W HN 0.319 nan 8.180 nan 0.000 0.396 77 L N 7.176 128.180 121.223 -0.364 0.000 2.081 77 L HA -0.190 4.152 4.340 0.004 0.000 0.212 77 L C -0.249 176.273 176.870 -0.580 0.000 1.080 77 L CA 1.109 55.715 54.840 -0.391 0.000 0.754 77 L CB -1.849 40.050 42.059 -0.267 0.000 0.893 77 L HN 0.238 nan 8.230 nan 0.000 0.433 78 P HA -0.189 nan 4.420 nan 0.000 0.221 78 P C 1.178 178.197 177.300 -0.468 0.000 1.145 78 P CA 1.315 63.935 63.100 -0.800 0.000 0.795 78 P CB -0.230 30.840 31.700 -1.050 0.000 0.775 79 N N -0.353 117.999 118.700 -0.579 0.000 2.272 79 N HA -0.182 4.560 4.740 0.004 0.000 0.185 79 N C 1.361 176.750 175.510 -0.202 0.000 1.014 79 N CA 0.788 53.724 53.050 -0.190 0.000 0.870 79 N CB -0.302 38.209 38.487 0.041 0.000 0.975 79 N HN 0.063 nan 8.380 nan 0.000 0.433 80 N N 0.404 118.959 118.700 -0.242 0.000 2.272 80 N HA -0.204 4.539 4.740 0.004 0.000 0.185 80 N C 1.478 176.788 175.510 -0.333 0.000 1.014 80 N CA 0.860 53.746 53.050 -0.274 0.000 0.870 80 N CB -0.595 37.721 38.487 -0.285 0.000 0.975 80 N HN 0.575 nan 8.380 nan 0.000 0.433 81 H N 0.881 119.781 119.070 -0.283 0.000 2.321 81 H HA 0.069 4.627 4.556 0.004 0.000 0.300 81 H C 2.158 177.337 175.328 -0.247 0.000 1.087 81 H CA 1.297 57.283 56.048 -0.103 0.000 1.319 81 H CB -0.170 29.814 29.762 0.369 0.000 1.379 81 H HN 0.077 nan 8.280 nan 0.000 0.501 82 L N -0.185 120.834 121.223 -0.340 0.000 2.056 82 L HA -0.155 4.187 4.340 0.004 0.000 0.207 82 L C 2.500 179.161 176.870 -0.348 0.000 1.078 82 L CA 0.926 55.498 54.840 -0.446 0.000 0.749 82 L CB -0.410 41.331 42.059 -0.530 0.000 0.901 82 L HN 0.345 nan 8.230 nan 0.000 0.433 83 L N -0.693 120.348 121.223 -0.304 0.000 1.994 83 L HA -0.259 4.083 4.340 0.004 0.000 0.208 83 L C 2.711 179.384 176.870 -0.328 0.000 1.071 83 L CA 1.494 56.181 54.840 -0.256 0.000 0.745 83 L CB -0.588 41.342 42.059 -0.215 0.000 0.892 83 L HN 0.331 nan 8.230 nan 0.000 0.431 84 Q N -0.425 119.068 119.800 -0.512 0.000 2.084 84 Q HA -0.247 4.095 4.340 0.004 0.000 0.202 84 Q C 2.215 177.951 176.000 -0.440 0.000 0.978 84 Q CA 1.424 56.835 55.803 -0.653 0.000 0.844 84 Q CB -0.266 27.658 28.738 -1.357 0.000 0.898 84 Q HN 0.321 nan 8.270 nan 0.000 0.426 85 L N 1.124 122.109 121.223 -0.396 0.000 2.131 85 L HA -0.166 4.176 4.340 0.004 0.000 0.210 85 L C 2.180 178.920 176.870 -0.217 0.000 1.092 85 L CA 1.760 56.477 54.840 -0.204 0.000 0.759 85 L CB -0.470 41.361 42.059 -0.380 0.000 0.903 85 L HN 0.170 nan 8.230 nan 0.000 0.435 86 E N -0.295 119.770 120.200 -0.224 0.000 2.051 86 E HA -0.250 4.102 4.350 0.004 0.000 0.192 86 E C 2.066 178.611 176.600 -0.091 0.000 0.991 86 E CA 2.053 58.368 56.400 -0.141 0.000 0.799 86 E CB -0.260 29.362 29.700 -0.129 0.000 0.748 86 E HN 0.726 nan 8.360 nan 0.000 0.449 87 T N -0.962 113.526 114.554 -0.110 0.000 2.881 87 T HA -0.090 4.262 4.350 0.004 0.000 0.270 87 T C 2.158 176.834 174.700 -0.040 0.000 1.068 87 T CA 1.298 63.356 62.100 -0.070 0.000 1.131 87 T CB -0.395 68.418 68.868 -0.091 0.000 0.871 87 T HN 0.165 nan 8.240 nan 0.000 0.479 88 I N 0.302 120.837 120.570 -0.058 0.000 2.500 88 I HA 0.074 4.246 4.170 0.004 0.000 0.252 88 I C 2.422 178.545 176.117 0.010 0.000 1.142 88 I CA 0.817 62.087 61.300 -0.050 0.000 1.451 88 I CB -0.259 37.702 38.000 -0.065 0.000 1.093 88 I HN 0.223 nan 8.210 nan 0.000 0.430 89 I N 0.297 120.870 120.570 0.005 0.000 2.315 89 I HA -0.255 3.918 4.170 0.004 0.000 0.248 89 I C 2.638 178.848 176.117 0.155 0.000 1.117 89 I CA 0.974 62.325 61.300 0.086 0.000 1.404 89 I CB -0.404 37.628 38.000 0.053 0.000 1.071 89 I HN 0.300 nan 8.210 nan 0.000 0.419 90 Q N 0.876 120.730 119.800 0.091 0.000 2.002 90 Q HA -0.223 4.119 4.340 0.004 0.000 0.204 90 Q C 2.510 178.590 176.000 0.134 0.000 0.988 90 Q CA 2.166 58.023 55.803 0.091 0.000 0.843 90 Q CB -0.594 28.171 28.738 0.044 0.000 0.908 90 Q HN 0.569 nan 8.270 nan 0.000 0.420 91 A N 0.260 123.167 122.820 0.145 0.000 1.883 91 A HA -0.242 4.080 4.320 0.004 0.000 0.217 91 A C 2.036 179.795 177.584 0.291 0.000 1.186 91 A CA 1.686 53.847 52.037 0.208 0.000 0.624 91 A CB -1.159 17.994 19.000 0.254 0.000 0.822 91 A HN 0.464 nan 8.150 nan 0.000 0.444 92 Y N 1.378 121.784 120.300 0.176 0.000 2.139 92 Y HA -0.266 4.286 4.550 0.004 0.000 0.282 92 Y C 1.974 178.020 175.900 0.243 0.000 1.179 92 Y CA 2.189 60.408 58.100 0.198 0.000 1.161 92 Y CB -0.267 38.277 38.460 0.140 0.000 0.970 92 Y HN 0.469 nan 8.280 nan 0.000 0.511 93 I N -1.601 119.086 120.570 0.196 0.000 3.419 93 I HA 0.126 4.298 4.170 0.004 0.000 0.286 93 I C 0.433 176.700 176.117 0.251 0.000 1.268 93 I CA 0.308 61.706 61.300 0.165 0.000 1.414 93 I CB -0.312 37.820 38.000 0.219 0.000 1.074 93 I HN 0.033 nan 8.210 nan 0.000 0.457 94 E N 2.611 122.927 120.200 0.193 0.000 2.223 94 E HA 0.100 4.453 4.350 0.004 0.000 0.282 94 E C 0.689 177.181 176.600 -0.180 0.000 1.046 94 E CA 0.038 56.459 56.400 0.035 0.000 0.857 94 E CB 1.090 30.803 29.700 0.021 0.000 1.055 94 E HN 0.240 nan 8.360 nan 0.000 0.409 95 K N 3.105 123.158 120.400 -0.578 0.000 2.063 95 K HA -0.127 4.195 4.320 0.004 0.000 0.208 95 K C 0.423 176.649 176.600 -0.624 0.000 1.048 95 K CA 1.592 57.145 56.287 -1.223 0.000 0.928 95 K CB 0.138 32.183 32.500 -0.758 0.000 0.713 95 K HN 0.554 nan 8.250 nan 0.000 0.442 96 D N 0.734 120.946 120.400 -0.313 0.000 2.336 96 D HA -0.023 4.619 4.640 0.004 0.000 0.229 96 D C 0.220 176.434 176.300 -0.143 0.000 1.061 96 D CA 0.311 54.199 54.000 -0.187 0.000 0.875 96 D CB 0.314 41.031 40.800 -0.139 0.000 0.904 96 D HN -0.012 nan 8.370 nan 0.000 0.525 97 S N 0.370 116.007 115.700 -0.105 0.000 2.562 97 S HA 0.034 4.507 4.470 0.004 0.000 0.275 97 S C 1.245 175.854 174.600 0.015 0.000 1.281 97 S CA -0.676 57.491 58.200 -0.056 0.000 1.045 97 S CB 0.513 63.777 63.200 0.106 0.000 0.962 97 S HN 0.334 nan 8.310 nan 0.000 0.503 98 H N 3.176 122.211 119.070 -0.058 0.000 2.553 98 H HA 0.106 4.665 4.556 0.004 0.000 0.269 98 H C 0.003 175.188 175.328 -0.239 0.000 1.011 98 H CA 0.257 56.206 56.048 -0.166 0.000 1.150 98 H CB -0.220 29.387 29.762 -0.258 0.000 1.339 98 H HN 0.762 nan 8.280 nan 0.000 0.604 99 Y N -0.397 120.092 120.300 0.315 0.000 2.481 99 Y HA 0.042 4.594 4.550 0.004 0.000 0.247 99 Y C 0.284 176.316 175.900 0.221 0.000 1.151 99 Y CA -1.088 57.168 58.100 0.260 0.000 1.238 99 Y CB 0.323 38.943 38.460 0.267 0.000 1.179 99 Y HN 0.114 nan 8.280 nan 0.000 0.524 100 Y N 2.235 122.625 120.300 0.150 0.000 2.887 100 Y HA 0.109 4.661 4.550 0.004 0.000 0.350 100 Y C 1.359 177.216 175.900 -0.070 0.000 1.294 100 Y CA 0.770 58.867 58.100 -0.006 0.000 1.622 100 Y CB -0.053 38.393 38.460 -0.024 0.000 1.201 100 Y HN 0.434 nan 8.280 nan 0.000 0.546 101 G N 4.438 112.797 108.800 -0.736 0.000 2.233 101 G HA2 -0.384 3.578 3.960 0.004 0.000 0.270 101 G HA3 -0.384 3.578 3.960 0.004 0.000 0.270 101 G C -0.010 174.851 174.900 -0.065 0.000 1.011 101 G CA 0.401 45.088 45.100 -0.689 0.000 0.762 101 G HN 0.898 nan 8.290 nan 0.000 0.511 102 D N -0.123 120.391 120.400 0.190 0.000 2.401 102 D HA 0.347 4.990 4.640 0.004 0.000 0.254 102 D C 1.434 177.934 176.300 0.334 0.000 1.192 102 D CA -0.032 54.125 54.000 0.261 0.000 0.885 102 D CB 0.456 41.452 40.800 0.326 0.000 1.147 102 D HN 0.111 nan 8.370 nan 0.000 0.478 103 D N 2.995 123.515 120.400 0.200 0.000 2.182 103 D HA -0.177 4.465 4.640 0.004 0.000 0.201 103 D C 1.606 178.027 176.300 0.202 0.000 0.986 103 D CA 0.954 55.059 54.000 0.175 0.000 0.847 103 D CB 0.081 40.926 40.800 0.075 0.000 0.942 103 D HN 0.378 nan 8.370 nan 0.000 0.467 104 K N 0.916 121.412 120.400 0.161 0.000 2.057 104 K HA -0.045 4.277 4.320 0.004 0.000 0.206 104 K C 1.833 178.494 176.600 0.102 0.000 1.050 104 K CA 0.758 57.116 56.287 0.118 0.000 0.935 104 K CB -0.475 32.085 32.500 0.100 0.000 0.715 104 K HN -0.037 nan 8.250 nan 0.000 0.439 105 V N 1.003 121.003 119.914 0.142 0.000 2.427 105 V HA -0.150 3.972 4.120 0.004 0.000 0.248 105 V C 2.048 178.106 176.094 -0.060 0.000 1.051 105 V CA 1.780 64.115 62.300 0.059 0.000 1.048 105 V CB -0.657 31.260 31.823 0.157 0.000 0.666 105 V HN 0.354 nan 8.190 nan 0.000 0.456 106 F N 1.722 121.574 119.950 -0.164 0.000 2.069 106 F HA -0.242 4.287 4.527 0.004 0.000 0.298 106 F C 2.215 177.913 175.800 -0.170 0.000 1.113 106 F CA 2.252 60.042 58.000 -0.349 0.000 1.214 106 F CB -0.398 38.491 39.000 -0.186 0.000 0.978 106 F HN 0.217 nan 8.300 nan 0.000 0.474 107 D N 0.147 120.584 120.400 0.062 0.000 2.116 107 D HA -0.227 4.416 4.640 0.004 0.000 0.193 107 D C 2.233 178.447 176.300 -0.143 0.000 0.998 107 D CA 1.804 55.796 54.000 -0.014 0.000 0.836 107 D CB -0.613 40.232 40.800 0.074 0.000 0.951 107 D HN 0.524 nan 8.370 nan 0.000 0.449 108 Q N -0.065 119.655 119.800 -0.133 0.000 2.124 108 Q HA -0.061 4.281 4.340 0.004 0.000 0.202 108 Q C 2.504 178.374 176.000 -0.216 0.000 0.977 108 Q CA 0.657 56.361 55.803 -0.165 0.000 0.850 108 Q CB 0.019 28.665 28.738 -0.152 0.000 0.901 108 Q HN 0.356 nan 8.270 nan 0.000 0.429 109 I N 0.439 120.844 120.570 -0.275 0.000 2.226 109 I HA -0.273 3.900 4.170 0.004 0.000 0.245 109 I C 2.224 178.243 176.117 -0.164 0.000 1.100 109 I CA 0.927 62.060 61.300 -0.279 0.000 1.374 109 I CB -0.170 37.618 38.000 -0.353 0.000 1.057 109 I HN 0.108 nan 8.210 nan 0.000 0.413 110 S N 0.623 116.156 115.700 -0.277 0.000 2.368 110 S HA -0.238 4.234 4.470 0.004 0.000 0.225 110 S C 2.467 177.067 174.600 0.001 0.000 1.030 110 S CA 1.913 60.023 58.200 -0.149 0.000 0.999 110 S CB -0.501 62.502 63.200 -0.330 0.000 0.844 110 S HN 0.545 nan 8.310 nan 0.000 0.459 111 K N 1.428 121.794 120.400 -0.055 0.000 2.057 111 K HA 0.193 4.515 4.320 0.004 0.000 0.207 111 K C 2.298 178.933 176.600 0.058 0.000 1.049 111 K CA 1.548 57.829 56.287 -0.009 0.000 0.931 111 K CB -1.412 31.047 32.500 -0.070 0.000 0.714 111 K HN 0.440 nan 8.250 nan 0.000 0.440 112 A N -0.261 122.555 122.820 -0.007 0.000 1.933 112 A HA 0.095 4.417 4.320 0.004 0.000 0.218 112 A C 2.289 180.077 177.584 0.340 0.000 1.175 112 A CA 1.460 53.547 52.037 0.085 0.000 0.628 112 A CB -0.506 18.390 19.000 -0.173 0.000 0.814 112 A HN 0.527 nan 8.150 nan 0.000 0.444 113 F N -0.159 119.910 119.950 0.199 0.000 2.113 113 F HA -0.152 4.377 4.527 0.004 0.000 0.297 113 F C 2.406 178.370 175.800 0.274 0.000 1.103 113 F CA 1.681 59.822 58.000 0.235 0.000 1.248 113 F CB 0.010 39.053 39.000 0.072 0.000 0.999 113 F HN 0.129 nan 8.300 nan 0.000 0.475 114 K N 0.082 120.700 120.400 0.365 0.000 2.063 114 K HA -0.270 4.052 4.320 0.004 0.000 0.208 114 K C 1.896 178.643 176.600 0.246 0.000 1.048 114 K CA 1.633 58.069 56.287 0.249 0.000 0.928 114 K CB -1.037 31.545 32.500 0.137 0.000 0.713 114 K HN 0.347 nan 8.250 nan 0.000 0.442 115 Y N -0.524 119.853 120.300 0.129 0.000 2.200 115 Y HA -0.193 4.359 4.550 0.003 0.000 0.290 115 Y C 2.157 178.048 175.900 -0.015 0.000 1.137 115 Y CA 1.979 60.076 58.100 -0.004 0.000 1.163 115 Y CB -0.294 38.113 38.460 -0.087 0.000 0.988 115 Y HN 0.299 nan 8.280 nan 0.000 0.518 116 W N -0.187 121.131 121.300 0.029 0.000 2.358 116 W HA -0.332 4.330 4.660 0.003 0.000 0.303 116 W C 1.919 178.446 176.519 0.012 0.000 1.208 116 W CA 2.095 59.428 57.345 -0.020 0.000 1.274 116 W CB -0.942 28.629 29.460 0.186 0.000 1.138 116 W HN 0.293 nan 8.180 nan 0.000 0.515 117 Y N 2.274 122.635 120.300 0.102 0.000 2.114 117 Y HA -0.283 4.269 4.550 0.004 0.000 0.284 117 Y C 2.256 178.048 175.900 -0.180 0.000 1.143 117 Y CA 2.709 60.799 58.100 -0.016 0.000 1.135 117 Y CB -0.877 37.622 38.460 0.065 0.000 0.980 117 Y HN -0.173 nan 8.280 nan 0.000 0.499 118 D N -0.905 119.402 120.400 -0.155 0.000 2.123 118 D HA -0.191 4.451 4.640 0.004 0.000 0.196 118 D C 2.393 178.414 176.300 -0.465 0.000 0.992 118 D CA 1.686 55.509 54.000 -0.295 0.000 0.833 118 D CB -0.541 40.117 40.800 -0.235 0.000 0.954 118 D HN 0.344 nan 8.370 nan 0.000 0.455 119 S N -0.024 115.300 115.700 -0.626 0.000 2.414 119 S HA -0.160 4.312 4.470 0.004 0.000 0.227 119 S C 0.165 174.468 174.600 -0.494 0.000 1.022 119 S CA 0.802 58.638 58.200 -0.608 0.000 0.958 119 S CB -0.206 62.526 63.200 -0.779 0.000 0.797 119 S HN 0.132 nan 8.310 nan 0.000 0.493 120 D N 1.414 121.447 120.400 -0.611 0.000 2.755 120 D HA -0.097 4.545 4.640 0.004 0.000 0.227 120 D C -2.616 173.447 176.300 -0.395 0.000 1.211 120 D CA 0.212 53.884 54.000 -0.547 0.000 0.663 120 D CB -0.696 39.858 40.800 -0.410 0.000 0.983 120 D HN 0.297 nan 8.370 nan 0.000 0.407 121 P HA 0.172 nan 4.420 nan 0.000 0.268 121 P C -0.346 177.119 177.300 0.276 0.000 1.204 121 P CA 0.286 63.328 63.100 -0.096 0.000 0.768 121 P CB 0.708 32.260 31.700 -0.246 0.000 0.842 122 K N 1.037 121.646 120.400 0.348 0.000 2.435 122 K HA 0.600 4.922 4.320 0.004 0.000 0.251 122 K C -0.521 176.132 176.600 0.088 0.000 0.954 122 K CA -0.769 55.596 56.287 0.130 0.000 0.820 122 K CB 2.221 34.725 32.500 0.008 0.000 1.292 122 K HN 0.288 nan 8.250 nan 0.000 0.436 123 S N 0.225 115.623 115.700 -0.504 0.000 2.638 123 S HA 0.217 4.689 4.470 0.004 0.000 0.298 123 S C 0.891 175.401 174.600 -0.150 0.000 1.111 123 S CA -0.738 57.134 58.200 -0.547 0.000 1.027 123 S CB 0.944 63.435 63.200 -1.182 0.000 1.064 123 S HN 0.717 nan 8.310 nan 0.000 0.525 124 R N 2.014 122.507 120.500 -0.012 0.000 2.235 124 R HA 0.068 4.410 4.340 0.004 0.000 0.213 124 R C 0.175 176.519 176.300 0.073 0.000 1.059 124 R CA 0.485 56.616 56.100 0.051 0.000 0.997 124 R CB -0.504 29.847 30.300 0.085 0.000 0.884 124 R HN 0.399 nan 8.270 nan 0.000 0.462 125 N N 1.978 120.707 118.700 0.048 0.000 2.462 125 N HA -0.033 4.709 4.740 0.004 0.000 0.242 125 N C 0.897 176.382 175.510 -0.041 0.000 1.010 125 N CA -0.967 52.116 53.050 0.054 0.000 0.939 125 N CB 0.453 38.997 38.487 0.095 0.000 1.127 125 N HN 0.408 nan 8.380 nan 0.000 0.509 126 W N 3.580 124.906 121.300 0.043 0.000 2.313 126 W HA -0.225 4.437 4.660 0.003 0.000 0.293 126 W C 1.123 177.661 176.519 0.031 0.000 1.216 126 W CA 0.219 57.573 57.345 0.015 0.000 1.223 126 W CB -1.184 28.283 29.460 0.012 0.000 1.138 126 W HN 0.640 nan 8.180 nan 0.000 0.535 127 W N 2.312 122.671 121.300 -1.568 0.000 2.304 127 W HA -0.271 4.391 4.660 0.004 0.000 0.315 127 W C 2.897 179.012 176.519 -0.675 0.000 1.233 127 W CA 3.213 59.662 57.345 -1.494 0.000 1.261 127 W CB -0.985 27.686 29.460 -1.315 0.000 1.150 127 W HN -0.059 nan 8.180 nan 0.000 0.494 128 H N -0.493 118.426 119.070 -0.251 0.000 2.357 128 H HA -0.110 4.448 4.556 0.004 0.000 0.301 128 H C 1.871 176.956 175.328 -0.404 0.000 1.082 128 H CA 1.751 57.604 56.048 -0.326 0.000 1.342 128 H CB -0.693 28.768 29.762 -0.501 0.000 1.389 128 H HN 0.278 nan 8.280 nan 0.000 0.511 129 N N 0.890 119.453 118.700 -0.229 0.000 2.300 129 N HA -0.086 4.656 4.740 0.004 0.000 0.179 129 N C 1.487 176.968 175.510 -0.048 0.000 1.016 129 N CA 0.671 53.641 53.050 -0.133 0.000 0.876 129 N CB 0.012 38.449 38.487 -0.084 0.000 0.979 129 N HN 0.563 nan 8.380 nan 0.000 0.432 130 E N -0.386 119.802 120.200 -0.020 0.000 2.415 130 E HA 0.236 4.588 4.350 0.004 0.000 0.197 130 E C 1.288 177.922 176.600 0.056 0.000 1.007 130 E CA 0.123 56.590 56.400 0.112 0.000 0.890 130 E CB 0.812 30.737 29.700 0.375 0.000 0.891 130 E HN 0.286 nan 8.360 nan 0.000 0.496 131 I N -0.394 120.007 120.570 -0.282 0.000 3.669 131 I HA 0.097 4.269 4.170 0.004 0.000 0.255 131 I C 2.194 178.071 176.117 -0.401 0.000 1.144 131 I CA 0.401 61.483 61.300 -0.364 0.000 1.447 131 I CB -0.148 37.340 38.000 -0.853 0.000 1.622 131 I HN -0.037 nan 8.210 nan 0.000 0.435 132 A N 1.004 123.404 122.820 -0.699 0.000 1.851 132 A HA -0.203 4.119 4.320 0.004 0.000 0.216 132 A C 2.300 179.865 177.584 -0.032 0.000 1.195 132 A CA 2.887 54.728 52.037 -0.326 0.000 0.622 132 A CB -1.239 17.666 19.000 -0.158 0.000 0.831 132 A HN 0.396 nan 8.150 nan 0.000 0.444 133 T N 0.361 114.942 114.554 0.045 0.000 2.674 133 T HA -0.071 4.282 4.350 0.004 0.000 0.265 133 T C -0.142 174.604 174.700 0.076 0.000 1.039 133 T CA 1.927 64.136 62.100 0.181 0.000 1.150 133 T CB -1.200 67.885 68.868 0.360 0.000 0.864 133 T HN 0.389 nan 8.240 nan 0.000 0.427 134 P HA -0.042 nan 4.420 nan 0.000 0.217 134 P C 1.677 178.944 177.300 -0.055 0.000 1.150 134 P CA 1.079 64.039 63.100 -0.232 0.000 0.832 134 P CB -0.067 31.100 31.700 -0.888 0.000 0.787 135 Q N -0.735 119.094 119.800 0.048 0.000 2.050 135 Q HA -0.136 4.206 4.340 0.004 0.000 0.202 135 Q C 2.245 178.373 176.000 0.213 0.000 0.980 135 Q CA 1.700 57.675 55.803 0.287 0.000 0.840 135 Q CB -0.740 28.148 28.738 0.250 0.000 0.898 135 Q HN 0.168 nan 8.270 nan 0.000 0.424 136 A N 0.748 123.630 122.820 0.104 0.000 1.877 136 A HA -0.191 4.131 4.320 0.004 0.000 0.216 136 A C 2.029 179.634 177.584 0.035 0.000 1.186 136 A CA 1.158 53.220 52.037 0.042 0.000 0.620 136 A CB -0.645 18.353 19.000 -0.005 0.000 0.822 136 A HN 0.244 nan 8.150 nan 0.000 0.443 137 L N -0.009 121.253 121.223 0.065 0.000 2.012 137 L HA -0.124 4.218 4.340 0.004 0.000 0.210 137 L C 2.735 179.652 176.870 0.078 0.000 1.073 137 L CA 2.121 57.029 54.840 0.113 0.000 0.748 137 L CB -1.339 40.808 42.059 0.147 0.000 0.891 137 L HN 0.407 nan 8.230 nan 0.000 0.431 138 G N -1.587 107.265 108.800 0.086 0.000 2.440 138 G HA2 -0.263 3.700 3.960 0.004 0.000 0.218 138 G HA3 -0.263 3.700 3.960 0.004 0.000 0.218 138 G C 1.537 176.308 174.900 -0.215 0.000 1.154 138 G CA 0.811 45.941 45.100 0.049 0.000 0.767 138 G HN 0.450 nan 8.290 nan 0.000 0.552 139 E N -0.191 119.844 120.200 -0.275 0.000 2.051 139 E HA -0.066 4.286 4.350 0.004 0.000 0.192 139 E C 2.652 179.173 176.600 -0.131 0.000 0.991 139 E CA 1.070 57.264 56.400 -0.343 0.000 0.799 139 E CB -0.177 29.404 29.700 -0.199 0.000 0.748 139 E HN 0.426 nan 8.360 nan 0.000 0.449 140 M N 0.329 119.920 119.600 -0.015 0.000 2.159 140 M HA -0.156 4.326 4.480 0.004 0.000 0.263 140 M C 2.226 178.615 176.300 0.149 0.000 1.063 140 M CA 1.245 56.604 55.300 0.098 0.000 1.110 140 M CB -0.175 32.529 32.600 0.174 0.000 1.374 140 M HN 0.104 nan 8.290 nan 0.000 0.411 141 L N -0.198 121.066 121.223 0.068 0.000 2.093 141 L HA -0.174 4.168 4.340 0.004 0.000 0.208 141 L C 2.348 179.207 176.870 -0.019 0.000 1.085 141 L CA 1.071 55.889 54.840 -0.037 0.000 0.755 141 L CB -0.487 41.502 42.059 -0.117 0.000 0.904 141 L HN 0.306 nan 8.230 nan 0.000 0.435 142 I N -0.407 120.141 120.570 -0.036 0.000 2.252 142 I HA -0.298 3.874 4.170 0.004 0.000 0.245 142 I C 2.392 178.591 176.117 0.137 0.000 1.102 142 I CA 1.226 62.526 61.300 0.001 0.000 1.385 142 I CB -0.138 37.800 38.000 -0.103 0.000 1.064 142 I HN 0.221 nan 8.210 nan 0.000 0.414 143 L N -0.319 120.965 121.223 0.102 0.000 2.083 143 L HA -0.224 4.118 4.340 0.004 0.000 0.209 143 L C 2.411 179.434 176.870 0.254 0.000 1.083 143 L CA 1.040 55.981 54.840 0.169 0.000 0.752 143 L CB -0.385 41.736 42.059 0.103 0.000 0.899 143 L HN 0.302 nan 8.230 nan 0.000 0.433 144 M N -0.711 119.005 119.600 0.194 0.000 2.686 144 M HA -0.091 4.391 4.480 0.004 0.000 0.246 144 M C 1.800 178.186 176.300 0.144 0.000 1.096 144 M CA 1.214 56.636 55.300 0.204 0.000 1.076 144 M CB -0.847 31.843 32.600 0.150 0.000 1.504 144 M HN 0.191 nan 8.290 nan 0.000 0.524 145 R N -1.343 119.198 120.500 0.069 0.000 2.310 145 R HA -0.031 4.311 4.340 0.004 0.000 0.202 145 R C 0.098 176.164 176.300 -0.391 0.000 0.933 145 R CA 0.518 56.508 56.100 -0.183 0.000 1.054 145 R CB 0.273 30.369 30.300 -0.340 0.000 0.985 145 R HN 0.332 nan 8.270 nan 0.000 0.489 146 Y N -0.929 119.418 120.300 0.078 0.000 2.716 146 Y HA 0.358 4.910 4.550 0.004 0.000 0.260 146 Y C 0.957 176.910 175.900 0.089 0.000 1.141 146 Y CA -0.659 57.483 58.100 0.070 0.000 1.168 146 Y CB 1.034 39.526 38.460 0.053 0.000 1.189 146 Y HN -0.047 nan 8.280 nan 0.000 0.549 147 G N -0.189 108.740 108.800 0.215 0.000 2.601 147 G HA2 0.454 4.416 3.960 0.004 0.000 0.317 147 G HA3 0.454 4.416 3.960 0.004 0.000 0.317 147 G C 0.973 175.900 174.900 0.044 0.000 1.246 147 G CA 0.012 45.207 45.100 0.158 0.000 1.012 147 G HN 0.157 nan 8.290 nan 0.000 0.494 148 K N -0.222 120.072 120.400 -0.176 0.000 1.980 148 K HA -0.124 4.198 4.320 0.004 0.000 0.223 148 K C 1.321 177.892 176.600 -0.048 0.000 1.052 148 K CA 2.134 58.325 56.287 -0.161 0.000 0.974 148 K CB -1.224 31.123 32.500 -0.256 0.000 0.734 148 K HN 0.861 nan 8.250 nan 0.000 0.447 149 K N 0.852 121.246 120.400 -0.009 0.000 2.203 149 K HA 0.538 4.861 4.320 0.004 0.000 0.251 149 K C -3.012 173.592 176.600 0.007 0.000 0.944 149 K CA -2.326 53.856 56.287 -0.174 0.000 0.829 149 K CB 1.982 34.150 32.500 -0.553 0.000 1.125 149 K HN -0.011 nan 8.250 nan 0.000 0.430 150 P HA 0.131 nan 4.420 nan 0.000 0.275 150 P C -0.490 176.961 177.300 0.252 0.000 1.227 150 P CA -0.461 62.706 63.100 0.112 0.000 0.781 150 P CB 0.546 32.255 31.700 0.016 0.000 0.906 151 L N 1.681 123.057 121.223 0.256 0.000 2.482 151 L HA 0.035 4.377 4.340 0.004 0.000 0.273 151 L C 0.983 177.920 176.870 0.113 0.000 1.228 151 L CA 0.004 54.963 54.840 0.199 0.000 0.827 151 L CB -0.068 41.956 42.059 -0.059 0.000 1.099 151 L HN 0.425 nan 8.230 nan 0.000 0.494 152 D N 1.073 121.526 120.400 0.089 0.000 2.472 152 D HA 0.077 4.720 4.640 0.004 0.000 0.248 152 D C 1.166 177.453 176.300 -0.022 0.000 1.174 152 D CA 0.890 54.911 54.000 0.034 0.000 0.883 152 D CB 1.193 42.002 40.800 0.015 0.000 1.149 152 D HN 0.612 nan 8.370 nan 0.000 0.488 153 E N 3.245 123.434 120.200 -0.020 0.000 2.209 153 E HA -0.164 4.188 4.350 0.004 0.000 0.196 153 E C 1.933 178.515 176.600 -0.031 0.000 0.993 153 E CA 1.617 57.997 56.400 -0.032 0.000 0.819 153 E CB -0.652 29.029 29.700 -0.033 0.000 0.745 153 E HN 0.667 nan 8.360 nan 0.000 0.477 154 A N -0.193 122.602 122.820 -0.041 0.000 1.970 154 A HA 0.280 4.602 4.320 0.004 0.000 0.216 154 A C 2.358 179.898 177.584 -0.073 0.000 1.170 154 A CA 1.383 53.394 52.037 -0.044 0.000 0.645 154 A CB -0.199 nan 19.000 nan 0.000 0.816 154 A HN 0.579 nan 8.150 nan 0.000 0.447 155 L N -0.031 121.129 121.223 -0.106 0.000 2.072 155 L HA -0.052 4.290 4.340 0.004 0.000 0.205 155 L C 2.249 178.996 176.870 -0.204 0.000 1.079 155 L CA 1.834 56.567 54.840 -0.179 0.000 0.752 155 L CB -0.523 41.443 42.059 -0.155 0.000 0.906 155 L HN 0.115 nan 8.230 nan 0.000 0.436 156 V N -0.385 119.431 119.914 -0.162 0.000 2.407 156 V HA -0.325 3.797 4.120 0.004 0.000 0.248 156 V C 2.552 178.579 176.094 -0.113 0.000 1.055 156 V CA 2.074 64.272 62.300 -0.169 0.000 1.049 156 V CB -1.085 30.663 31.823 -0.125 0.000 0.662 156 V HN 0.684 nan 8.190 nan 0.000 0.455 157 H N 0.667 119.654 119.070 -0.138 0.000 2.357 157 H HA -0.105 4.453 4.556 0.004 0.000 0.301 157 H C 2.259 177.521 175.328 -0.109 0.000 1.082 157 H CA 1.874 57.857 56.048 -0.107 0.000 1.342 157 H CB -0.002 29.705 29.762 -0.091 0.000 1.389 157 H HN 0.348 nan 8.280 nan 0.000 0.511 158 K N -0.130 120.176 120.400 -0.157 0.000 2.097 158 K HA -0.098 4.224 4.320 0.004 0.000 0.206 158 K C 2.247 178.753 176.600 -0.156 0.000 1.049 158 K CA 1.432 57.568 56.287 -0.253 0.000 0.933 158 K CB -0.039 32.092 32.500 -0.615 0.000 0.717 158 K HN 0.277 nan 8.250 nan 0.000 0.442 159 L N 0.743 121.871 121.223 -0.157 0.000 2.056 159 L HA -0.170 4.173 4.340 0.004 0.000 0.207 159 L C 2.752 179.607 176.870 -0.025 0.000 1.078 159 L CA 1.614 56.449 54.840 -0.009 0.000 0.749 159 L CB -0.970 41.040 42.059 -0.082 0.000 0.901 159 L HN 0.399 nan 8.230 nan 0.000 0.433 160 T N -3.670 110.809 114.554 -0.125 0.000 2.867 160 T HA -0.145 4.207 4.350 0.004 0.000 0.268 160 T C 1.715 176.327 174.700 -0.147 0.000 1.057 160 T CA 0.835 62.857 62.100 -0.129 0.000 1.136 160 T CB -0.187 68.583 68.868 -0.164 0.000 0.874 160 T HN 0.200 nan 8.240 nan 0.000 0.466 161 E N 1.120 121.192 120.200 -0.213 0.000 2.106 161 E HA -0.046 4.306 4.350 0.004 0.000 0.192 161 E C 2.363 178.940 176.600 -0.038 0.000 0.984 161 E CA 0.837 57.142 56.400 -0.159 0.000 0.806 161 E CB -0.309 29.282 29.700 -0.183 0.000 0.750 161 E HN 0.388 nan 8.360 nan 0.000 0.458 162 R N 0.617 121.140 120.500 0.040 0.000 2.237 162 R HA 0.055 4.397 4.340 0.004 0.000 0.219 162 R C 1.935 178.264 176.300 0.048 0.000 1.080 162 R CA 0.729 56.880 56.100 0.086 0.000 0.995 162 R CB -0.365 30.062 30.300 0.211 0.000 0.875 162 R HN 0.129 nan 8.270 nan 0.000 0.462 163 M N -0.065 119.541 119.600 0.011 0.000 2.619 163 M HA 0.023 4.506 4.480 0.004 0.000 0.251 163 M C 0.236 176.512 176.300 -0.039 0.000 1.106 163 M CA 0.803 56.086 55.300 -0.029 0.000 1.086 163 M CB 0.273 32.859 32.600 -0.024 0.000 1.465 163 M HN -0.145 nan 8.290 nan 0.000 0.506 164 K N 1.889 122.268 120.400 -0.035 0.000 2.449 164 K HA 0.174 4.496 4.320 0.004 0.000 0.237 164 K C -0.629 176.004 176.600 0.054 0.000 1.265 164 K CA 0.273 56.542 56.287 -0.030 0.000 1.193 164 K CB -0.118 32.343 32.500 -0.065 0.000 1.515 164 K HN 0.232 nan 8.250 nan 0.000 0.259 165 R N 0.588 121.165 120.500 0.127 0.000 2.514 165 R HA 0.395 4.737 4.340 0.004 0.000 0.296 165 R C -0.708 175.764 176.300 0.287 0.000 1.012 165 R CA -0.746 55.442 56.100 0.148 0.000 0.897 165 R CB 2.125 32.469 30.300 0.073 0.000 1.184 165 R HN 0.553 nan 8.270 nan 0.000 0.440 166 G N 2.301 111.260 108.800 0.266 0.000 2.906 166 G HA2 -0.138 3.824 3.960 0.004 0.000 0.686 166 G HA3 -0.138 3.824 3.960 0.004 0.000 0.686 166 G C -1.085 173.972 174.900 0.262 0.000 1.170 166 G CA -1.014 44.249 45.100 0.272 0.000 0.775 166 G HN 0.549 nan 8.290 nan 0.000 0.630 167 E N 4.208 124.461 120.200 0.087 0.000 2.220 167 E HA 0.351 4.703 4.350 0.004 0.000 0.256 167 E C -1.525 175.001 176.600 -0.124 0.000 0.881 167 E CA -1.936 54.475 56.400 0.018 0.000 0.766 167 E CB 2.738 32.465 29.700 0.044 0.000 1.187 167 E HN 0.322 nan 8.360 nan 0.000 0.419 168 P HA -0.233 nan 4.420 nan 0.000 0.216 168 P C 0.464 177.647 177.300 -0.195 0.000 1.150 168 P CA 1.405 64.330 63.100 -0.291 0.000 0.843 168 P CB 0.398 31.808 31.700 -0.484 0.000 0.787 169 E N 0.149 120.276 120.200 -0.121 0.000 2.333 169 E HA -0.126 4.226 4.350 0.004 0.000 0.198 169 E C 1.639 178.172 176.600 -0.112 0.000 1.007 169 E CA 0.939 57.270 56.400 -0.115 0.000 0.845 169 E CB -0.671 29.019 29.700 -0.017 0.000 0.766 169 E HN 0.289 nan 8.360 nan 0.000 0.507 170 K N 0.252 120.589 120.400 -0.104 0.000 2.404 170 K HA 0.160 4.482 4.320 0.004 0.000 0.194 170 K C 0.230 176.741 176.600 -0.149 0.000 1.023 170 K CA 0.258 56.474 56.287 -0.118 0.000 1.094 170 K CB 0.510 32.940 32.500 -0.115 0.000 0.841 170 K HN -0.021 nan 8.250 nan 0.000 0.523 171 K N 0.767 121.087 120.400 -0.134 0.000 2.352 171 K HA 0.353 4.675 4.320 0.004 0.000 0.240 171 K C 0.148 176.705 176.600 -0.073 0.000 1.017 171 K CA -0.422 55.796 56.287 -0.115 0.000 0.851 171 K CB 1.843 34.298 32.500 -0.074 0.000 1.261 171 K HN 0.066 nan 8.250 nan 0.000 0.451 172 T N -3.098 111.433 114.554 -0.038 0.000 2.916 172 T HA 0.621 4.973 4.350 0.004 0.000 0.292 172 T C 0.800 175.515 174.700 0.026 0.000 1.055 172 T CA 0.099 62.192 62.100 -0.012 0.000 1.009 172 T CB 1.793 70.635 68.868 -0.043 0.000 1.118 172 T HN 0.720 nan 8.240 nan 0.000 0.497 173 G N 1.767 110.592 108.800 0.042 0.000 2.672 173 G HA2 -0.214 3.749 3.960 0.004 0.000 0.324 173 G HA3 -0.214 3.749 3.960 0.004 0.000 0.324 173 G C 1.386 176.399 174.900 0.188 0.000 1.286 173 G CA 1.378 46.536 45.100 0.097 0.000 1.004 173 G HN 1.884 nan 8.290 nan 0.000 0.548 174 A N -0.511 122.467 122.820 0.264 0.000 1.978 174 A HA -0.089 4.233 4.320 0.004 0.000 0.220 174 A C 2.214 179.961 177.584 0.271 0.000 1.170 174 A CA 2.442 54.661 52.037 0.304 0.000 0.636 174 A CB -0.478 18.780 19.000 0.430 0.000 0.810 174 A HN 0.634 nan 8.150 nan 0.000 0.448 175 N N -0.279 118.578 118.700 0.261 0.000 2.216 175 N HA -0.118 4.624 4.740 0.004 0.000 0.183 175 N C 1.685 177.282 175.510 0.145 0.000 1.017 175 N CA 1.451 54.677 53.050 0.294 0.000 0.861 175 N CB -0.287 38.418 38.487 0.363 0.000 0.986 175 N HN 0.698 nan 8.380 nan 0.000 0.428 176 K N 0.851 121.296 120.400 0.075 0.000 2.057 176 K HA -0.092 4.230 4.320 0.004 0.000 0.206 176 K C 1.919 178.479 176.600 -0.066 0.000 1.050 176 K CA 1.653 57.924 56.287 -0.026 0.000 0.935 176 K CB -0.124 32.363 32.500 -0.022 0.000 0.715 176 K HN 0.270 nan 8.250 nan 0.000 0.439 177 T N -0.546 114.014 114.554 0.011 0.000 2.708 177 T HA -0.152 4.200 4.350 0.004 0.000 0.266 177 T C 1.545 176.190 174.700 -0.091 0.000 1.037 177 T CA 1.510 63.586 62.100 -0.041 0.000 1.146 177 T CB -0.483 68.411 68.868 0.042 0.000 0.865 177 T HN 0.155 nan 8.240 nan 0.000 0.435 178 D N 1.289 121.683 120.400 -0.010 0.000 2.123 178 D HA 0.004 4.646 4.640 0.004 0.000 0.196 178 D C 2.127 178.359 176.300 -0.113 0.000 0.992 178 D CA 0.932 54.923 54.000 -0.016 0.000 0.833 178 D CB -0.317 40.526 40.800 0.072 0.000 0.954 178 D HN 0.454 nan 8.370 nan 0.000 0.455 179 I N 0.966 121.439 120.570 -0.162 0.000 2.202 179 I HA -0.228 3.944 4.170 0.004 0.000 0.242 179 I C 2.478 178.202 176.117 -0.654 0.000 1.091 179 I CA 0.919 61.975 61.300 -0.406 0.000 1.368 179 I CB -0.264 37.585 38.000 -0.253 0.000 1.058 179 I HN -0.086 nan 8.210 nan 0.000 0.410 180 A N 0.743 123.283 122.820 -0.467 0.000 1.986 180 A HA -0.243 4.079 4.320 0.004 0.000 0.220 180 A C 2.251 179.650 177.584 -0.308 0.000 1.171 180 A CA 1.559 53.336 52.037 -0.433 0.000 0.640 180 A CB -0.777 17.988 19.000 -0.391 0.000 0.811 180 A HN 0.400 nan 8.150 nan 0.000 0.451 181 L N 0.233 121.260 121.223 -0.326 0.000 2.012 181 L HA -0.206 4.136 4.340 0.004 0.000 0.210 181 L C 2.425 179.043 176.870 -0.420 0.000 1.073 181 L CA 2.912 57.537 54.840 -0.358 0.000 0.748 181 L CB -0.789 41.095 42.059 -0.292 0.000 0.891 181 L HN 0.759 nan 8.230 nan 0.000 0.431 182 H N -4.010 114.964 119.070 -0.159 0.000 2.529 182 H HA -0.052 4.506 4.556 0.004 0.000 0.277 182 H C 1.828 177.252 175.328 0.160 0.000 0.999 182 H CA 1.223 57.267 56.048 -0.008 0.000 1.256 182 H CB -1.065 28.801 29.762 0.173 0.000 1.402 182 H HN 0.456 nan 8.280 nan 0.000 0.566 183 Y N -0.604 119.638 120.300 -0.096 0.000 2.314 183 Y HA -0.139 4.413 4.550 0.004 0.000 0.293 183 Y C 2.052 177.985 175.900 0.055 0.000 1.129 183 Y CA 0.649 58.774 58.100 0.042 0.000 1.201 183 Y CB -0.099 38.374 38.460 0.022 0.000 0.999 183 Y HN 0.316 nan 8.280 nan 0.000 0.541 184 F N -0.239 119.700 119.950 -0.019 0.000 2.075 184 F HA -0.290 4.239 4.527 0.004 0.000 0.297 184 F C 1.826 177.634 175.800 0.013 0.000 1.113 184 F CA 1.490 59.432 58.000 -0.097 0.000 1.218 184 F CB -1.026 37.822 39.000 -0.253 0.000 0.984 184 F HN 0.052 nan 8.300 nan 0.000 0.472 185 Y N 0.044 120.324 120.300 -0.035 0.000 2.097 185 Y HA -0.301 4.251 4.550 0.004 0.000 0.282 185 Y C 2.833 178.638 175.900 -0.158 0.000 1.152 185 Y CA 1.257 59.258 58.100 -0.165 0.000 1.136 185 Y CB -0.616 37.871 38.460 0.045 0.000 0.975 185 Y HN 0.022 nan 8.280 nan 0.000 0.498 186 R N 0.869 121.439 120.500 0.116 0.000 2.105 186 R HA -0.194 4.148 4.340 0.004 0.000 0.239 186 R C 2.310 178.579 176.300 -0.052 0.000 1.135 186 R CA 1.318 57.427 56.100 0.014 0.000 0.967 186 R CB -0.432 29.864 30.300 -0.008 0.000 0.861 186 R HN 0.311 nan 8.270 nan 0.000 0.442 187 A N 0.598 123.378 122.820 -0.068 0.000 1.969 187 A HA -0.074 4.249 4.320 0.004 0.000 0.218 187 A C 2.101 179.608 177.584 -0.129 0.000 1.169 187 A CA 1.072 53.059 52.037 -0.082 0.000 0.635 187 A CB -0.327 18.639 19.000 -0.056 0.000 0.810 187 A HN 0.357 nan 8.150 nan 0.000 0.445 188 L N -1.031 120.065 121.223 -0.210 0.000 2.095 188 L HA -0.049 4.293 4.340 0.004 0.000 0.204 188 L C 2.396 179.192 176.870 -0.124 0.000 1.080 188 L CA 0.667 55.382 54.840 -0.209 0.000 0.759 188 L CB -0.446 41.416 42.059 -0.327 0.000 0.914 188 L HN 0.321 nan 8.230 nan 0.000 0.439 189 L N -0.372 120.789 121.223 -0.103 0.000 2.141 189 L HA -0.130 4.212 4.340 0.004 0.000 0.209 189 L C 2.240 179.074 176.870 -0.060 0.000 1.094 189 L CA 1.627 56.421 54.840 -0.077 0.000 0.763 189 L CB -0.582 41.437 42.059 -0.067 0.000 0.908 189 L HN 0.417 nan 8.230 nan 0.000 0.437 190 T N -5.485 109.037 114.554 -0.054 0.000 3.145 190 T HA 0.146 4.498 4.350 0.004 0.000 0.255 190 T C 0.750 175.434 174.700 -0.027 0.000 1.039 190 T CA 0.149 62.231 62.100 -0.031 0.000 0.928 190 T CB 0.225 69.078 68.868 -0.025 0.000 1.029 190 T HN 0.131 nan 8.240 nan 0.000 0.554 191 S N 1.917 117.593 115.700 -0.039 0.000 3.559 191 S HA -0.139 4.333 4.470 0.004 0.000 0.369 191 S C -0.281 174.312 174.600 -0.012 0.000 0.987 191 S CA 0.744 58.928 58.200 -0.026 0.000 1.187 191 S CB -1.540 61.649 63.200 -0.018 0.000 0.914 191 S HN 0.800 nan 8.310 nan 0.000 0.480 192 D N 0.859 121.249 120.400 -0.017 0.000 2.479 192 D HA 0.238 4.880 4.640 0.004 0.000 0.247 192 D C 1.168 177.478 176.300 0.018 0.000 1.119 192 D CA -0.591 53.409 54.000 -0.000 0.000 0.922 192 D CB 0.537 41.331 40.800 -0.010 0.000 1.014 192 D HN 0.150 nan 8.370 nan 0.000 0.510 193 E N 1.865 122.091 120.200 0.043 0.000 2.160 193 E HA -0.179 4.173 4.350 0.004 0.000 0.195 193 E C 1.711 178.379 176.600 0.114 0.000 0.991 193 E CA 0.848 57.301 56.400 0.090 0.000 0.810 193 E CB -0.130 29.645 29.700 0.125 0.000 0.742 193 E HN 0.583 nan 8.360 nan 0.000 0.466 194 A N 1.408 124.281 122.820 0.089 0.000 1.898 194 A HA -0.094 4.228 4.320 0.004 0.000 0.216 194 A C 2.284 179.944 177.584 0.127 0.000 1.181 194 A CA 0.968 53.065 52.037 0.100 0.000 0.620 194 A CB -0.658 18.375 19.000 0.055 0.000 0.819 194 A HN 0.260 nan 8.150 nan 0.000 0.442 195 L N -0.948 120.330 121.223 0.091 0.000 2.093 195 L HA -0.118 4.224 4.340 0.004 0.000 0.208 195 L C 2.446 179.431 176.870 0.191 0.000 1.085 195 L CA 1.364 56.286 54.840 0.136 0.000 0.755 195 L CB -0.232 41.858 42.059 0.052 0.000 0.904 195 L HN 0.461 nan 8.230 nan 0.000 0.435 196 L N -0.563 120.713 121.223 0.089 0.000 2.017 196 L HA -0.197 4.146 4.340 0.004 0.000 0.208 196 L C 2.540 179.426 176.870 0.028 0.000 1.073 196 L CA 2.070 56.913 54.840 0.004 0.000 0.745 196 L CB -0.647 41.331 42.059 -0.136 0.000 0.894 196 L HN 0.128 nan 8.230 nan 0.000 0.432 197 S N -0.737 115.052 115.700 0.149 0.000 2.382 197 S HA -0.184 4.288 4.470 0.004 0.000 0.228 197 S C 1.764 176.481 174.600 0.195 0.000 1.027 197 S CA 1.451 59.801 58.200 0.251 0.000 0.991 197 S CB -0.688 62.699 63.200 0.311 0.000 0.823 197 S HN 0.543 nan 8.310 nan 0.000 0.469 198 F N 2.807 122.800 119.950 0.071 0.000 2.051 198 F HA -0.086 4.443 4.527 0.004 0.000 0.296 198 F C 2.383 178.189 175.800 0.009 0.000 1.122 198 F CA 1.073 59.101 58.000 0.047 0.000 1.201 198 F CB -1.003 38.038 39.000 0.068 0.000 0.978 198 F HN 0.165 nan 8.300 nan 0.000 0.472 199 A N 0.236 123.080 122.820 0.040 0.000 1.873 199 A HA -0.207 4.115 4.320 0.004 0.000 0.218 199 A C 2.341 179.758 177.584 -0.278 0.000 1.193 199 A CA 2.549 54.519 52.037 -0.112 0.000 0.629 199 A CB -1.541 17.539 19.000 0.133 0.000 0.826 199 A HN 0.318 nan 8.150 nan 0.000 0.447 200 V N 0.300 120.088 119.914 -0.209 0.000 2.287 200 V HA -0.315 3.807 4.120 0.004 0.000 0.248 200 V C 2.583 178.473 176.094 -0.340 0.000 1.053 200 V CA 2.543 64.622 62.300 -0.368 0.000 1.027 200 V CB -0.705 31.026 31.823 -0.153 0.000 0.646 200 V HN 0.714 nan 8.190 nan 0.000 0.447 201 K N -0.432 119.872 120.400 -0.160 0.000 2.057 201 K HA -0.212 4.111 4.320 0.004 0.000 0.207 201 K C 2.203 178.713 176.600 -0.150 0.000 1.049 201 K CA 1.523 57.765 56.287 -0.075 0.000 0.931 201 K CB -0.087 32.385 32.500 -0.048 0.000 0.714 201 K HN 0.385 nan 8.250 nan 0.000 0.440 202 E N 0.877 120.843 120.200 -0.390 0.000 2.106 202 E HA -0.174 4.178 4.350 0.004 0.000 0.192 202 E C 2.047 178.515 176.600 -0.221 0.000 0.984 202 E CA 0.736 56.895 56.400 -0.403 0.000 0.806 202 E CB -0.141 29.139 29.700 -0.700 0.000 0.750 202 E HN 0.348 nan 8.360 nan 0.000 0.458 203 L N -0.384 120.651 121.223 -0.313 0.000 2.056 203 L HA -0.064 4.278 4.340 0.004 0.000 0.207 203 L C 2.049 178.878 176.870 -0.069 0.000 1.078 203 L CA 1.032 55.701 54.840 -0.286 0.000 0.749 203 L CB -0.124 41.609 42.059 -0.543 0.000 0.901 203 L HN 0.067 nan 8.230 nan 0.000 0.433 204 F N -2.546 117.355 119.950 -0.082 0.000 2.811 204 F HA -0.127 4.402 4.527 0.004 0.000 0.301 204 F C 1.994 177.799 175.800 0.007 0.000 1.151 204 F CA -0.336 57.628 58.000 -0.059 0.000 1.412 204 F CB -0.007 38.948 39.000 -0.075 0.000 1.113 204 F HN 0.151 nan 8.300 nan 0.000 0.579 205 Y N 2.696 123.043 120.300 0.079 0.000 2.097 205 Y HA -0.156 4.396 4.550 0.004 0.000 0.282 205 Y C -0.963 174.952 175.900 0.026 0.000 1.152 205 Y CA 1.632 59.744 58.100 0.020 0.000 1.136 205 Y CB -1.670 36.760 38.460 -0.048 0.000 0.975 205 Y HN -0.088 nan 8.280 nan 0.000 0.498 206 P HA -0.094 nan 4.420 nan 0.000 0.228 206 P C 0.127 177.404 177.300 -0.038 0.000 1.151 206 P CA 1.020 64.092 63.100 -0.047 0.000 0.770 206 P CB -0.077 31.695 31.700 0.119 0.000 0.786 207 V N 1.496 121.456 119.914 0.078 0.000 1.935 207 V HA 0.027 4.149 4.120 0.004 0.000 0.262 207 V C 0.611 176.569 176.094 -0.226 0.000 1.726 207 V CA 0.556 62.891 62.300 0.059 0.000 1.656 207 V CB -2.105 29.738 31.823 0.032 0.000 1.532 207 V HN 0.293 nan 8.190 nan 0.000 0.509 208 Q N 0.271 119.841 119.800 -0.384 0.000 2.522 208 Q HA 0.573 4.915 4.340 0.004 0.000 0.285 208 Q C -1.389 174.226 176.000 -0.642 0.000 0.982 208 Q CA -0.982 54.489 55.803 -0.552 0.000 0.805 208 Q CB 1.359 29.853 28.738 -0.406 0.000 1.457 208 Q HN 0.185 nan 8.270 nan 0.000 0.394 209 F N 1.154 120.828 119.950 -0.460 0.000 2.412 209 F HA 0.525 5.054 4.527 0.004 0.000 0.348 209 F C 0.461 175.917 175.800 -0.572 0.000 1.102 209 F CA -0.541 56.989 58.000 -0.783 0.000 1.196 209 F CB 1.493 39.572 39.000 -1.536 0.000 1.144 209 F HN 0.465 nan 8.300 nan 0.000 0.541 210 V N -0.112 119.677 119.914 -0.209 0.000 3.040 210 V HA 0.441 4.563 4.120 0.004 0.000 0.312 210 V C -1.007 175.213 176.094 0.210 0.000 1.115 210 V CA -0.916 61.401 62.300 0.029 0.000 0.998 210 V CB 1.878 33.663 31.823 -0.065 0.000 1.042 210 V HN 0.850 nan 8.190 nan 0.000 0.433 211 H N 1.883 121.048 119.070 0.157 0.000 2.741 211 H HA 0.373 4.931 4.556 0.003 0.000 0.282 211 H C 0.022 175.423 175.328 0.122 0.000 1.122 211 H CA -0.063 56.056 56.048 0.118 0.000 1.293 211 H CB 0.192 30.030 29.762 0.126 0.000 1.415 211 H HN 0.865 nan 8.280 nan 0.000 0.472 212 Y N 0.916 121.221 120.300 0.007 0.000 4.506 212 Y HA -0.437 4.115 4.550 0.003 0.000 0.297 212 Y C 0.893 176.728 175.900 -0.108 0.000 1.022 212 Y CA 1.536 59.569 58.100 -0.113 0.000 2.099 212 Y CB -0.906 37.407 38.460 -0.245 0.000 1.169 212 Y HN 0.719 nan 8.280 nan 0.000 0.483 213 E N 2.316 122.536 120.200 0.034 0.000 2.392 213 E HA 0.239 4.591 4.350 0.004 0.000 0.256 213 E C -0.156 176.385 176.600 -0.099 0.000 1.145 213 E CA -0.466 55.923 56.400 -0.018 0.000 0.929 213 E CB 0.439 30.135 29.700 -0.006 0.000 0.998 213 E HN 0.306 nan 8.360 nan 0.000 0.442 214 E N 0.487 120.612 120.200 -0.126 0.000 2.568 214 E HA 0.228 4.580 4.350 0.004 0.000 0.262 214 E C 0.357 176.754 176.600 -0.338 0.000 0.961 214 E CA 1.064 57.326 56.400 -0.231 0.000 0.945 214 E CB 0.284 29.875 29.700 -0.180 0.000 0.924 214 E HN 0.770 nan 8.360 nan 0.000 0.467 215 G N 1.321 109.739 108.800 -0.636 0.000 2.318 215 G HA2 -0.098 3.864 3.960 0.004 0.000 0.367 215 G HA3 -0.098 3.864 3.960 0.004 0.000 0.367 215 G C -1.413 172.946 174.900 -0.902 0.000 1.260 215 G CA -0.847 43.771 45.100 -0.803 0.000 1.055 215 G HN 0.434 nan 8.290 nan 0.000 0.484 216 L N 1.261 122.117 121.223 -0.612 0.000 2.410 216 L HA 0.502 4.844 4.340 0.004 0.000 0.273 216 L C 0.744 177.443 176.870 -0.285 0.000 1.144 216 L CA -0.179 54.416 54.840 -0.408 0.000 0.863 216 L CB 0.665 42.481 42.059 -0.405 0.000 1.140 216 L HN 0.597 nan 8.230 nan 0.000 0.463 217 Q N 3.619 123.298 119.800 -0.202 0.000 2.199 217 Q HA 0.105 4.447 4.340 0.004 0.000 0.232 217 Q C 0.454 176.323 176.000 -0.219 0.000 0.969 217 Q CA -0.258 55.432 55.803 -0.189 0.000 0.925 217 Q CB 0.349 28.952 28.738 -0.225 0.000 1.198 217 Q HN 0.663 nan 8.270 nan 0.000 0.494 218 Y N 0.918 121.019 120.300 -0.332 0.000 2.352 218 Y HA -0.168 4.384 4.550 0.003 0.000 0.292 218 Y C 1.578 177.192 175.900 -0.477 0.000 1.136 218 Y CA 1.509 59.257 58.100 -0.587 0.000 1.227 218 Y CB 0.194 38.262 38.460 -0.653 0.000 0.991 218 Y HN 0.623 nan 8.280 nan 0.000 0.545 219 D N -2.350 117.755 120.400 -0.492 0.000 2.319 219 D HA -0.151 4.491 4.640 0.004 0.000 0.230 219 D C -0.045 176.313 176.300 0.097 0.000 1.094 219 D CA -0.048 53.501 54.000 -0.752 0.000 0.856 219 D CB -0.922 38.818 40.800 -1.766 0.000 0.915 219 D HN 0.424 nan 8.370 nan 0.000 0.517 220 Y N -0.295 120.062 120.300 0.095 0.000 4.841 220 Y HA -0.322 4.230 4.550 0.003 0.000 0.242 220 Y C 0.869 177.130 175.900 0.601 0.000 1.002 220 Y CA 0.676 59.010 58.100 0.391 0.000 2.011 220 Y CB -2.233 36.439 38.460 0.353 0.000 1.554 220 Y HN 0.260 nan 8.280 nan 0.000 0.618 221 S N -0.799 115.224 115.700 0.538 0.000 2.655 221 S HA 0.582 5.054 4.470 0.004 0.000 0.265 221 S C -0.761 173.988 174.600 0.249 0.000 1.240 221 S CA -0.351 58.064 58.200 0.358 0.000 0.986 221 S CB 1.896 65.161 63.200 0.108 0.000 0.985 221 S HN 0.315 nan 8.310 nan 0.000 0.562 222 Y N 0.001 120.335 120.300 0.056 0.000 2.373 222 Y HA 0.649 5.201 4.550 0.003 0.000 0.336 222 Y C -1.471 174.375 175.900 -0.090 0.000 0.979 222 Y CA -1.008 57.027 58.100 -0.109 0.000 1.080 222 Y CB 1.120 39.492 38.460 -0.147 0.000 1.190 222 Y HN 0.732 nan 8.280 nan 0.000 0.446 223 L N 5.586 126.407 121.223 -0.671 0.000 2.362 223 L HA 0.686 5.029 4.340 0.004 0.000 0.271 223 L C -1.122 175.455 176.870 -0.488 0.000 1.002 223 L CA -0.983 53.628 54.840 -0.381 0.000 0.818 223 L CB 2.285 44.204 42.059 -0.234 0.000 1.298 223 L HN 0.610 nan 8.230 nan 0.000 0.420 224 Q N 1.305 120.971 119.800 -0.224 0.000 2.320 224 Q HA 0.383 4.725 4.340 0.004 0.000 0.272 224 Q C -1.218 174.713 176.000 -0.115 0.000 1.023 224 Q CA -0.426 55.226 55.803 -0.253 0.000 0.855 224 Q CB 1.314 29.841 28.738 -0.352 0.000 1.367 224 Q HN 0.622 nan 8.270 nan 0.000 0.406 225 H N 2.180 121.119 119.070 -0.219 0.000 3.199 225 H HA -0.083 4.475 4.556 0.003 0.000 0.366 225 H C 0.239 175.540 175.328 -0.047 0.000 1.274 225 H CA 0.222 56.201 56.048 -0.115 0.000 1.239 225 H CB -1.044 28.714 29.762 -0.007 0.000 1.556 225 H HN 1.262 nan 8.280 nan 0.000 0.440 226 G N 1.339 110.157 108.800 0.029 0.000 2.750 226 G HA2 -0.235 3.727 3.960 0.004 0.000 0.228 226 G HA3 -0.235 3.727 3.960 0.004 0.000 0.228 226 G C -2.399 172.507 174.900 0.010 0.000 1.367 226 G CA -0.368 44.742 45.100 0.015 0.000 0.871 226 G HN 0.322 nan 8.290 nan 0.000 0.560 227 P HA 0.157 nan 4.420 nan 0.000 0.230 227 P C -0.371 176.958 177.300 0.049 0.000 1.791 227 P CA 0.460 63.592 63.100 0.052 0.000 1.020 227 P CB 0.250 32.033 31.700 0.138 0.000 1.977 228 Q N 2.149 121.964 119.800 0.024 0.000 2.333 228 Q HA 0.308 4.650 4.340 0.004 0.000 0.265 228 Q C -0.681 175.323 176.000 0.006 0.000 0.989 228 Q CA -1.191 54.633 55.803 0.036 0.000 0.842 228 Q CB 1.276 30.063 28.738 0.083 0.000 1.262 228 Q HN 0.112 nan 8.270 nan 0.000 0.451 229 L N 4.363 125.577 121.223 -0.016 0.000 2.667 229 L HA -0.084 4.258 4.340 0.004 0.000 0.278 229 L C -0.709 176.153 176.870 -0.013 0.000 1.217 229 L CA 1.496 56.298 54.840 -0.064 0.000 0.935 229 L CB 0.207 42.171 42.059 -0.160 0.000 1.193 229 L HN 0.692 nan 8.230 nan 0.000 0.493 230 Q N 6.232 126.070 119.800 0.063 0.000 2.903 230 Q HA 0.168 4.510 4.340 0.004 0.000 0.342 230 Q C 0.714 176.881 176.000 0.279 0.000 0.808 230 Q CA -0.333 55.584 55.803 0.190 0.000 1.004 230 Q CB 0.667 29.610 28.738 0.341 0.000 1.470 230 Q HN 0.689 nan 8.270 nan 0.000 0.387 231 I N -0.566 120.085 120.570 0.136 0.000 2.226 231 I HA -0.140 4.032 4.170 0.004 0.000 0.245 231 I C 1.532 177.844 176.117 0.325 0.000 1.100 231 I CA 1.296 62.742 61.300 0.244 0.000 1.374 231 I CB -0.347 37.658 38.000 0.008 0.000 1.057 231 I HN 0.197 nan 8.210 nan 0.000 0.413 232 S N -1.340 114.483 115.700 0.206 0.000 2.496 232 S HA 0.394 4.867 4.470 0.004 0.000 0.260 232 S C 1.008 175.703 174.600 0.158 0.000 1.122 232 S CA 0.513 58.880 58.200 0.278 0.000 1.019 232 S CB 0.957 64.260 63.200 0.171 0.000 1.226 232 S HN 0.456 nan 8.310 nan 0.000 0.502 233 S N -0.444 115.305 115.700 0.082 0.000 4.112 233 S HA -0.320 4.152 4.470 0.004 0.000 0.602 233 S C 1.084 175.640 174.600 -0.075 0.000 1.939 233 S CA 1.872 60.043 58.200 -0.049 0.000 4.230 233 S CB -2.210 60.972 63.200 -0.031 0.000 0.245 233 S HN 0.751 nan 8.310 nan 0.000 0.530 234 Y N 1.933 122.264 120.300 0.053 0.000 2.207 234 Y HA -0.001 4.551 4.550 0.003 0.000 0.287 234 Y C 2.716 178.592 175.900 -0.041 0.000 1.156 234 Y CA 1.475 59.616 58.100 0.068 0.000 1.182 234 Y CB -0.841 37.704 38.460 0.142 0.000 0.979 234 Y HN 0.620 nan 8.280 nan 0.000 0.521 235 G N -0.607 108.215 108.800 0.036 0.000 2.448 235 G HA2 -0.207 3.755 3.960 0.004 0.000 0.219 235 G HA3 -0.207 3.755 3.960 0.004 0.000 0.219 235 G C 1.824 176.682 174.900 -0.071 0.000 1.127 235 G CA 0.832 45.712 45.100 -0.365 0.000 0.766 235 G HN 0.470 nan 8.290 nan 0.000 0.552 236 A N 0.075 122.895 122.820 -0.000 0.000 1.929 236 A HA 0.193 4.515 4.320 0.004 0.000 0.216 236 A C 2.541 180.060 177.584 -0.109 0.000 1.176 236 A CA 1.484 53.457 52.037 -0.106 0.000 0.628 236 A CB -0.356 18.655 19.000 0.018 0.000 0.816 236 A HN 0.218 nan 8.150 nan 0.000 0.444 237 V N -0.879 119.022 119.914 -0.022 0.000 2.358 237 V HA -0.207 3.916 4.120 0.004 0.000 0.246 237 V C 2.253 178.363 176.094 0.028 0.000 1.047 237 V CA 1.936 64.250 62.300 0.024 0.000 1.035 237 V CB -1.014 30.875 31.823 0.111 0.000 0.658 237 V HN 0.646 nan 8.190 nan 0.000 0.452 238 F N 1.053 120.908 119.950 -0.158 0.000 2.069 238 F HA -0.227 4.302 4.527 0.003 0.000 0.298 238 F C 2.128 177.845 175.800 -0.139 0.000 1.113 238 F CA 1.726 59.608 58.000 -0.195 0.000 1.214 238 F CB -0.475 38.219 39.000 -0.511 0.000 0.978 238 F HN 0.068 nan 8.300 nan 0.000 0.474 239 I N -0.178 120.212 120.570 -0.301 0.000 2.163 239 I HA -0.374 3.798 4.170 0.004 0.000 0.243 239 I C 2.317 178.253 176.117 -0.302 0.000 1.085 239 I CA 1.948 63.039 61.300 -0.349 0.000 1.347 239 I CB -1.035 36.610 38.000 -0.592 0.000 1.044 239 I HN 0.208 nan 8.210 nan 0.000 0.408 240 T N 0.494 114.895 114.554 -0.255 0.000 2.652 240 T HA -0.171 4.181 4.350 0.004 0.000 0.267 240 T C 1.867 176.444 174.700 -0.205 0.000 1.039 240 T CA 1.715 63.700 62.100 -0.192 0.000 1.153 240 T CB -0.852 67.953 68.868 -0.105 0.000 0.863 240 T HN 0.608 nan 8.240 nan 0.000 0.428 241 G N 0.876 109.565 108.800 -0.185 0.000 2.433 241 G HA2 -0.182 3.780 3.960 0.004 0.000 0.216 241 G HA3 -0.182 3.780 3.960 0.004 0.000 0.216 241 G C 1.734 176.450 174.900 -0.308 0.000 1.186 241 G CA 0.971 45.948 45.100 -0.204 0.000 0.779 241 G HN 0.433 nan 8.290 nan 0.000 0.543 242 V N 0.708 120.391 119.914 -0.384 0.000 2.343 242 V HA -0.137 3.985 4.120 0.004 0.000 0.247 242 V C 2.705 178.442 176.094 -0.595 0.000 1.051 242 V CA 1.653 63.687 62.300 -0.444 0.000 1.036 242 V CB -0.447 30.941 31.823 -0.725 0.000 0.654 242 V HN 0.338 nan 8.190 nan 0.000 0.451 243 L N 1.225 122.059 121.223 -0.648 0.000 2.017 243 L HA -0.189 4.153 4.340 0.004 0.000 0.208 243 L C 2.623 179.219 176.870 -0.456 0.000 1.073 243 L CA 2.315 56.821 54.840 -0.556 0.000 0.745 243 L CB -0.851 41.051 42.059 -0.261 0.000 0.894 243 L HN 0.485 nan 8.230 nan 0.000 0.432 244 K N -1.005 119.117 120.400 -0.463 0.000 2.097 244 K HA -0.179 4.143 4.320 0.004 0.000 0.205 244 K C 2.111 178.112 176.600 -0.998 0.000 1.050 244 K CA 1.643 57.500 56.287 -0.716 0.000 0.938 244 K CB -0.922 31.247 32.500 -0.551 0.000 0.718 244 K HN 0.302 nan 8.250 nan 0.000 0.442 245 L N 1.981 122.832 121.223 -0.620 0.000 2.017 245 L HA -0.049 4.293 4.340 0.004 0.000 0.208 245 L C 2.585 179.323 176.870 -0.220 0.000 1.073 245 L CA 2.014 56.544 54.840 -0.517 0.000 0.745 245 L CB -0.834 40.855 42.059 -0.617 0.000 0.894 245 L HN 0.311 nan 8.230 nan 0.000 0.432 246 A N -0.405 122.353 122.820 -0.103 0.000 1.908 246 A HA -0.305 4.017 4.320 0.004 0.000 0.218 246 A C 2.203 179.729 177.584 -0.097 0.000 1.181 246 A CA 2.039 54.047 52.037 -0.048 0.000 0.627 246 A CB -1.052 17.780 19.000 -0.279 0.000 0.818 246 A HN 0.636 nan 8.150 nan 0.000 0.445 247 N N -1.149 117.414 118.700 -0.228 0.000 2.120 247 N HA -0.159 4.583 4.740 0.004 0.000 0.188 247 N C 1.574 177.090 175.510 0.009 0.000 1.024 247 N CA 2.036 54.988 53.050 -0.162 0.000 0.852 247 N CB -0.508 37.813 38.487 -0.277 0.000 1.003 247 N HN 0.688 nan 8.380 nan 0.000 0.424 248 Y N -0.368 119.939 120.300 0.012 0.000 2.181 248 Y HA -0.115 4.437 4.550 0.004 0.000 0.288 248 Y C 1.996 177.969 175.900 0.122 0.000 1.146 248 Y CA 0.948 59.100 58.100 0.086 0.000 1.164 248 Y CB -0.017 38.522 38.460 0.131 0.000 0.982 248 Y HN 0.046 nan 8.280 nan 0.000 0.515 249 V N 0.010 120.080 119.914 0.259 0.000 3.514 249 V HA 0.127 4.249 4.120 0.004 0.000 0.301 249 V C 0.710 176.925 176.094 0.202 0.000 1.346 249 V CA -0.449 62.007 62.300 0.260 0.000 1.156 249 V CB -1.087 30.910 31.823 0.289 0.000 1.029 249 V HN 0.185 nan 8.190 nan 0.000 0.428 250 R N 0.543 121.127 120.500 0.139 0.000 2.640 250 R HA 0.070 4.412 4.340 0.004 0.000 0.270 250 R C -0.107 176.253 176.300 0.100 0.000 1.024 250 R CA 0.685 56.840 56.100 0.092 0.000 1.085 250 R CB -0.252 30.080 30.300 0.053 0.000 0.963 250 R HN 0.441 nan 8.270 nan 0.000 0.426 251 D N 0.053 120.499 120.400 0.078 0.000 2.800 251 D HA -0.160 4.482 4.640 0.004 0.000 0.232 251 D C -0.439 175.911 176.300 0.084 0.000 1.137 251 D CA 1.880 55.922 54.000 0.069 0.000 0.718 251 D CB -1.200 39.637 40.800 0.062 0.000 1.084 251 D HN 0.889 nan 8.370 nan 0.000 0.432 252 T N -4.596 110.021 114.554 0.104 0.000 2.864 252 T HA 0.541 4.893 4.350 0.004 0.000 0.299 252 T C -2.186 172.544 174.700 0.048 0.000 1.166 252 T CA -1.268 60.900 62.100 0.113 0.000 1.007 252 T CB 3.144 72.153 68.868 0.236 0.000 1.219 252 T HN -0.336 nan 8.240 nan 0.000 0.506 253 P HA -0.069 nan 4.420 nan 0.000 0.229 253 P C 0.402 177.546 177.300 -0.260 0.000 1.150 253 P CA 0.997 63.962 63.100 -0.224 0.000 0.765 253 P CB -0.274 31.208 31.700 -0.364 0.000 0.783 254 Y N -0.323 120.041 120.300 0.108 0.000 2.457 254 Y HA 0.399 4.951 4.550 0.003 0.000 0.263 254 Y C 1.654 177.660 175.900 0.178 0.000 1.164 254 Y CA -0.566 57.618 58.100 0.139 0.000 1.274 254 Y CB -0.519 38.029 38.460 0.147 0.000 1.097 254 Y HN -0.112 nan 8.280 nan 0.000 0.523 255 A N 1.158 124.116 122.820 0.230 0.000 2.587 255 A HA 0.073 4.395 4.320 0.004 0.000 0.233 255 A C 0.006 177.640 177.584 0.084 0.000 1.049 255 A CA -0.402 51.728 52.037 0.156 0.000 0.754 255 A CB -0.163 18.886 19.000 0.081 0.000 0.977 255 A HN 0.356 nan 8.150 nan 0.000 0.509 256 L N 3.029 124.215 121.223 -0.062 0.000 2.525 256 L HA 0.212 4.554 4.340 0.004 0.000 0.278 256 L C 1.206 177.963 176.870 -0.189 0.000 1.218 256 L CA 1.169 55.782 54.840 -0.377 0.000 0.878 256 L CB 0.248 41.889 42.059 -0.696 0.000 1.127 256 L HN 0.925 nan 8.230 nan 0.000 0.492 257 S N 1.781 117.380 115.700 -0.169 0.000 2.580 257 S HA 0.077 4.549 4.470 0.004 0.000 0.266 257 S C 1.403 175.964 174.600 -0.065 0.000 1.354 257 S CA 0.049 58.203 58.200 -0.077 0.000 1.008 257 S CB 0.495 63.664 63.200 -0.052 0.000 0.898 257 S HN 0.874 nan 8.310 nan 0.000 0.555 258 T N -0.659 113.884 114.554 -0.017 0.000 2.777 258 T HA -0.131 4.221 4.350 0.004 0.000 0.266 258 T C 1.283 175.998 174.700 0.025 0.000 1.040 258 T CA 1.459 63.567 62.100 0.013 0.000 1.141 258 T CB -0.867 68.019 68.868 0.030 0.000 0.868 258 T HN 0.703 nan 8.240 nan 0.000 0.444 259 E N 1.771 121.981 120.200 0.016 0.000 2.021 259 E HA -0.107 4.245 4.350 0.004 0.000 0.200 259 E C 2.365 178.971 176.600 0.010 0.000 1.015 259 E CA 1.565 57.982 56.400 0.029 0.000 0.824 259 E CB -0.256 29.452 29.700 0.014 0.000 0.762 259 E HN 0.565 nan 8.360 nan 0.000 0.454 260 K N 0.246 120.614 120.400 -0.054 0.000 2.147 260 K HA -0.081 4.241 4.320 0.004 0.000 0.205 260 K C 2.071 178.650 176.600 -0.034 0.000 1.049 260 K CA 0.691 56.921 56.287 -0.095 0.000 0.936 260 K CB -0.200 32.170 32.500 -0.217 0.000 0.722 260 K HN 0.110 nan 8.250 nan 0.000 0.446 261 L N 1.071 122.275 121.223 -0.031 0.000 2.056 261 L HA -0.108 4.234 4.340 0.004 0.000 0.207 261 L C 2.184 179.178 176.870 0.206 0.000 1.078 261 L CA 1.824 56.702 54.840 0.063 0.000 0.749 261 L CB -0.976 41.104 42.059 0.035 0.000 0.901 261 L HN 0.107 nan 8.230 nan 0.000 0.433 262 A N 0.091 123.007 122.820 0.160 0.000 1.898 262 A HA -0.159 4.163 4.320 0.004 0.000 0.216 262 A C 2.228 179.934 177.584 0.203 0.000 1.181 262 A CA 1.500 53.647 52.037 0.183 0.000 0.620 262 A CB -0.513 18.586 19.000 0.165 0.000 0.819 262 A HN 0.471 nan 8.150 nan 0.000 0.442 263 I N -1.657 119.035 120.570 0.204 0.000 2.179 263 I HA -0.234 3.938 4.170 0.004 0.000 0.242 263 I C 2.378 178.697 176.117 0.336 0.000 1.088 263 I CA 1.758 63.216 61.300 0.264 0.000 1.357 263 I CB -0.363 37.640 38.000 0.005 0.000 1.051 263 I HN 0.487 nan 8.210 nan 0.000 0.409 264 F N 1.027 121.056 119.950 0.132 0.000 2.102 264 F HA -0.280 4.250 4.527 0.004 0.000 0.298 264 F C 2.792 178.748 175.800 0.260 0.000 1.105 264 F CA 1.931 60.021 58.000 0.151 0.000 1.239 264 F CB -0.530 38.447 39.000 -0.038 0.000 0.991 264 F HN -0.028 nan 8.300 nan 0.000 0.474 265 S N 0.056 115.843 115.700 0.145 0.000 2.359 265 S HA -0.299 4.174 4.470 0.004 0.000 0.224 265 S C 2.277 176.806 174.600 -0.117 0.000 1.035 265 S CA 1.857 60.103 58.200 0.077 0.000 1.018 265 S CB -0.612 62.691 63.200 0.172 0.000 0.876 265 S HN 0.570 nan 8.310 nan 0.000 0.448 266 K N -0.950 119.408 120.400 -0.070 0.000 2.057 266 K HA -0.152 4.170 4.320 0.004 0.000 0.206 266 K C 2.100 178.641 176.600 -0.098 0.000 1.050 266 K CA 1.513 57.690 56.287 -0.184 0.000 0.935 266 K CB -0.475 31.909 32.500 -0.194 0.000 0.715 266 K HN 0.541 nan 8.250 nan 0.000 0.439 267 Y N 0.416 120.782 120.300 0.110 0.000 2.181 267 Y HA -0.300 4.252 4.550 0.004 0.000 0.288 267 Y C 1.934 177.925 175.900 0.152 0.000 1.146 267 Y CA 1.806 60.063 58.100 0.262 0.000 1.164 267 Y CB -0.579 38.096 38.460 0.358 0.000 0.982 267 Y HN 0.196 nan 8.280 nan 0.000 0.515 268 Y N 0.461 120.574 120.300 -0.311 0.000 2.145 268 Y HA -0.290 4.262 4.550 0.003 0.000 0.286 268 Y C 2.518 178.303 175.900 -0.192 0.000 1.145 268 Y CA 1.459 59.363 58.100 -0.326 0.000 1.148 268 Y CB -0.049 38.175 38.460 -0.394 0.000 0.981 268 Y HN 0.105 nan 8.280 nan 0.000 0.507 269 R N -0.133 120.252 120.500 -0.192 0.000 2.055 269 R HA -0.118 4.225 4.340 0.004 0.000 0.226 269 R C 1.707 177.811 176.300 -0.326 0.000 1.135 269 R CA 1.488 57.361 56.100 -0.377 0.000 0.959 269 R CB -0.212 29.706 30.300 -0.637 0.000 0.854 269 R HN 0.332 nan 8.270 nan 0.000 0.431 270 D N -0.241 119.960 120.400 -0.333 0.000 2.194 270 D HA -0.007 4.635 4.640 0.004 0.000 0.204 270 D C 1.659 177.861 176.300 -0.164 0.000 0.964 270 D CA 1.134 54.933 54.000 -0.335 0.000 0.846 270 D CB 0.185 40.751 40.800 -0.389 0.000 0.962 270 D HN 0.047 nan 8.370 nan 0.000 0.490 271 S N -0.593 115.041 115.700 -0.110 0.000 2.433 271 S HA -0.017 4.455 4.470 0.004 0.000 0.216 271 S C 1.787 176.361 174.600 -0.043 0.000 1.031 271 S CA -0.132 58.099 58.200 0.052 0.000 0.931 271 S CB -0.261 62.948 63.200 0.015 0.000 0.875 271 S HN 0.238 nan 8.310 nan 0.000 0.553 272 Y N 2.563 122.668 120.300 -0.326 0.000 2.109 272 Y HA 0.023 4.575 4.550 0.004 0.000 0.285 272 Y C 1.998 177.874 175.900 -0.039 0.000 1.131 272 Y CA 1.416 59.430 58.100 -0.144 0.000 1.121 272 Y CB -0.473 37.926 38.460 -0.101 0.000 0.987 272 Y HN 0.091 nan 8.280 nan 0.000 0.495 273 L N 0.291 121.561 121.223 0.079 0.000 2.131 273 L HA -0.226 4.116 4.340 0.004 0.000 0.210 273 L C 2.147 178.926 176.870 -0.152 0.000 1.092 273 L CA 1.517 56.325 54.840 -0.055 0.000 0.759 273 L CB -0.487 41.524 42.059 -0.080 0.000 0.903 273 L HN 0.196 nan 8.230 nan 0.000 0.435 274 K N -0.057 120.248 120.400 -0.159 0.000 2.504 274 K HA 0.005 4.327 4.320 0.004 0.000 0.195 274 K C 1.771 178.325 176.600 -0.076 0.000 1.036 274 K CA 0.705 56.897 56.287 -0.159 0.000 0.984 274 K CB 0.060 32.422 32.500 -0.229 0.000 0.788 274 K HN 0.249 nan 8.250 nan 0.000 0.488 275 A N 0.889 123.653 122.820 -0.092 0.000 2.218 275 A HA 0.136 4.459 4.320 0.004 0.000 0.209 275 A C 0.794 178.324 177.584 -0.090 0.000 1.168 275 A CA 0.062 52.065 52.037 -0.055 0.000 0.804 275 A CB 0.048 18.991 19.000 -0.095 0.000 0.834 275 A HN 0.092 nan 8.150 nan 0.000 0.482 276 I N 0.564 121.058 120.570 -0.127 0.000 2.336 276 I HA 0.355 4.527 4.170 0.004 0.000 0.292 276 I C 0.077 176.185 176.117 -0.014 0.000 0.991 276 I CA -0.780 60.472 61.300 -0.079 0.000 1.227 276 I CB 1.404 39.328 38.000 -0.125 0.000 1.366 276 I HN 0.049 nan 8.210 nan 0.000 0.466 277 R N 5.047 125.581 120.500 0.057 0.000 2.229 277 R HA 0.603 4.946 4.340 0.004 0.000 0.332 277 R C 0.460 176.827 176.300 0.112 0.000 0.989 277 R CA 0.588 56.737 56.100 0.082 0.000 0.842 277 R CB 0.653 31.028 30.300 0.125 0.000 1.119 277 R HN 0.873 nan 8.270 nan 0.000 0.456 278 G N 2.536 111.380 108.800 0.072 0.000 2.675 278 G HA2 -0.359 3.603 3.960 0.004 0.000 0.312 278 G HA3 -0.359 3.603 3.960 0.004 0.000 0.312 278 G C 0.429 175.345 174.900 0.026 0.000 1.186 278 G CA 0.537 45.682 45.100 0.076 0.000 0.965 278 G HN 0.583 nan 8.290 nan 0.000 0.548 279 S N 0.163 115.870 115.700 0.011 0.000 2.603 279 S HA 0.471 4.943 4.470 0.004 0.000 0.232 279 S C -0.387 173.922 174.600 -0.486 0.000 1.016 279 S CA 0.029 58.077 58.200 -0.255 0.000 0.976 279 S CB 0.481 63.429 63.200 -0.421 0.000 0.921 279 S HN 0.457 nan 8.310 nan 0.000 0.516 280 Y N 1.195 121.489 120.300 -0.009 0.000 2.377 280 Y HA 0.628 5.180 4.550 0.004 0.000 0.339 280 Y C -0.002 175.921 175.900 0.037 0.000 1.011 280 Y CA -1.363 56.752 58.100 0.024 0.000 1.093 280 Y CB 0.795 39.294 38.460 0.066 0.000 1.201 280 Y HN 0.042 nan 8.280 nan 0.000 0.455 281 M N 2.900 122.591 119.600 0.151 0.000 2.242 281 M HA 0.170 4.652 4.480 0.004 0.000 0.344 281 M C -0.342 176.025 176.300 0.112 0.000 1.140 281 M CA -0.263 55.072 55.300 0.059 0.000 1.160 281 M CB 0.413 33.017 32.600 0.007 0.000 1.491 281 M HN 0.631 nan 8.290 nan 0.000 0.459 282 D N 3.243 123.651 120.400 0.014 0.000 2.417 282 D HA -0.038 4.604 4.640 0.004 0.000 0.250 282 D C 0.592 176.847 176.300 -0.075 0.000 1.166 282 D CA 0.041 53.998 54.000 -0.072 0.000 0.881 282 D CB 0.230 40.981 40.800 -0.081 0.000 1.164 282 D HN 0.530 nan 8.370 nan 0.000 0.467 283 F N 3.136 123.103 119.950 0.030 0.000 2.451 283 F HA -0.001 4.528 4.527 0.003 0.000 0.299 283 F C 1.451 177.249 175.800 -0.004 0.000 1.101 283 F CA 0.141 58.154 58.000 0.021 0.000 1.436 283 F CB -0.752 38.250 39.000 0.003 0.000 1.074 283 F HN 0.210 nan 8.300 nan 0.000 0.553 284 N N 1.225 119.777 118.700 -0.246 0.000 2.381 284 N HA -0.092 4.650 4.740 0.004 0.000 0.182 284 N C 1.776 177.158 175.510 -0.213 0.000 1.025 284 N CA 1.712 54.659 53.050 -0.172 0.000 0.888 284 N CB -0.063 38.233 38.487 -0.318 0.000 0.965 284 N HN 0.506 nan 8.380 nan 0.000 0.438 285 V N -2.175 117.613 119.914 -0.209 0.000 3.376 285 V HA 0.313 4.436 4.120 0.004 0.000 0.313 285 V C 0.840 176.908 176.094 -0.045 0.000 1.393 285 V CA 0.131 62.308 62.300 -0.205 0.000 1.125 285 V CB 0.251 31.913 31.823 -0.268 0.000 1.037 285 V HN -0.104 nan 8.190 nan 0.000 0.440 286 E N 1.572 121.785 120.200 0.022 0.000 2.444 286 E HA 0.319 4.671 4.350 0.004 0.000 0.191 286 E C 1.525 178.153 176.600 0.046 0.000 1.041 286 E CA 0.603 57.034 56.400 0.051 0.000 0.883 286 E CB 0.597 30.350 29.700 0.087 0.000 1.024 286 E HN 0.803 nan 8.360 nan 0.000 0.470 287 G N 3.021 111.852 108.800 0.051 0.000 2.581 287 G HA2 -0.437 3.525 3.960 0.004 0.000 0.291 287 G HA3 -0.437 3.525 3.960 0.004 0.000 0.291 287 G C 0.863 175.804 174.900 0.068 0.000 1.277 287 G CA 0.801 45.940 45.100 0.065 0.000 0.959 287 G HN 0.439 nan 8.290 nan 0.000 0.554 288 R N 0.537 121.072 120.500 0.060 0.000 2.237 288 R HA 0.186 4.528 4.340 0.004 0.000 0.219 288 R C 2.414 178.728 176.300 0.024 0.000 1.080 288 R CA 1.797 57.918 56.100 0.035 0.000 0.995 288 R CB -0.616 29.699 30.300 0.026 0.000 0.875 288 R HN 0.964 nan 8.270 nan 0.000 0.462 289 G N 0.909 109.714 108.800 0.007 0.000 2.776 289 G HA2 -0.136 3.826 3.960 0.004 0.000 0.209 289 G HA3 -0.136 3.826 3.960 0.004 0.000 0.209 289 G C 1.226 176.158 174.900 0.054 0.000 1.145 289 G CA 0.294 45.394 45.100 -0.001 0.000 0.791 289 G HN 0.229 nan 8.290 nan 0.000 0.530 290 V N 1.732 121.708 119.914 0.103 0.000 2.867 290 V HA -0.101 4.021 4.120 0.004 0.000 0.260 290 V C 2.578 178.803 176.094 0.218 0.000 1.099 290 V CA 2.371 64.772 62.300 0.168 0.000 1.122 290 V CB -0.177 31.780 31.823 0.223 0.000 0.708 290 V HN 0.474 nan 8.190 nan 0.000 0.490 291 S N -0.609 115.206 115.700 0.190 0.000 2.634 291 S HA 0.268 4.740 4.470 0.004 0.000 0.221 291 S C 0.707 175.461 174.600 0.256 0.000 0.952 291 S CA -0.421 57.933 58.200 0.257 0.000 0.930 291 S CB -0.227 63.029 63.200 0.093 0.000 0.780 291 S HN 0.617 nan 8.310 nan 0.000 0.498 292 R N 1.829 122.364 120.500 0.058 0.000 2.428 292 R HA 0.481 4.823 4.340 0.004 0.000 0.294 292 R C -3.004 172.931 176.300 -0.608 0.000 1.000 292 R CA -2.336 53.590 56.100 -0.291 0.000 0.960 292 R CB 0.401 30.602 30.300 -0.165 0.000 1.076 292 R HN 0.138 nan 8.270 nan 0.000 0.475 293 P HA -0.044 nan 4.420 nan 0.000 0.265 293 P C -0.680 176.316 177.300 -0.506 0.000 1.193 293 P CA 0.440 62.696 63.100 -1.405 0.000 0.765 293 P CB 0.458 31.259 31.700 -1.499 0.000 0.823 294 D N 0.572 120.824 120.400 -0.247 0.000 3.006 294 D HA -0.227 4.416 4.640 0.004 0.000 0.208 294 D C 1.073 177.501 176.300 0.212 0.000 1.116 294 D CA 0.685 54.745 54.000 0.100 0.000 0.998 294 D CB -1.600 39.265 40.800 0.108 0.000 1.124 294 D HN 0.307 nan 8.370 nan 0.000 0.413 295 I N 0.847 121.465 120.570 0.080 0.000 2.236 295 I HA -0.252 3.920 4.170 0.004 0.000 0.249 295 I C 2.069 178.303 176.117 0.195 0.000 1.102 295 I CA 1.630 62.993 61.300 0.106 0.000 1.365 295 I CB -0.155 37.884 38.000 0.065 0.000 1.051 295 I HN 0.251 nan 8.210 nan 0.000 0.420 296 L N 0.114 121.533 121.223 0.327 0.000 2.551 296 L HA -0.048 4.295 4.340 0.004 0.000 0.228 296 L C 0.828 177.870 176.870 0.286 0.000 1.153 296 L CA 0.083 55.142 54.840 0.364 0.000 0.851 296 L CB -1.027 41.339 42.059 0.512 0.000 0.959 296 L HN 0.277 nan 8.230 nan 0.000 0.451 297 N N 1.759 120.611 118.700 0.254 0.000 2.405 297 N HA 0.004 4.747 4.740 0.004 0.000 0.260 297 N C -0.018 175.401 175.510 -0.152 0.000 1.152 297 N CA 0.234 53.186 53.050 -0.164 0.000 0.948 297 N CB 0.707 39.161 38.487 -0.054 0.000 1.111 297 N HN -0.015 nan 8.380 nan 0.000 0.485 298 K N 3.617 123.855 120.400 -0.270 0.000 2.861 298 K HA 0.165 4.487 4.320 0.004 0.000 0.210 298 K C 0.702 177.219 176.600 -0.139 0.000 1.112 298 K CA -0.213 56.003 56.287 -0.119 0.000 1.076 298 K CB 0.445 32.914 32.500 -0.052 0.000 0.853 298 K HN 0.528 nan 8.250 nan 0.000 0.463 299 K N 0.359 120.642 120.400 -0.196 0.000 2.283 299 K HA -0.006 4.316 4.320 0.004 0.000 0.202 299 K C 1.431 177.991 176.600 -0.066 0.000 1.048 299 K CA 1.028 57.227 56.287 -0.147 0.000 0.948 299 K CB 0.158 32.562 32.500 -0.161 0.000 0.742 299 K HN 0.095 nan 8.250 nan 0.000 0.458 300 A N 0.951 123.747 122.820 -0.040 0.000 2.337 300 A HA -0.008 4.314 4.320 0.004 0.000 0.227 300 A C 1.579 179.174 177.584 0.019 0.000 1.259 300 A CA 0.254 52.286 52.037 -0.009 0.000 0.870 300 A CB -0.070 18.929 19.000 -0.002 0.000 0.927 300 A HN 0.128 nan 8.150 nan 0.000 0.497 301 E N 1.836 122.057 120.200 0.035 0.000 2.160 301 E HA -0.237 4.115 4.350 0.004 0.000 0.195 301 E C 1.933 178.577 176.600 0.073 0.000 0.991 301 E CA 1.789 58.244 56.400 0.091 0.000 0.810 301 E CB -0.307 29.473 29.700 0.133 0.000 0.742 301 E HN 0.762 nan 8.360 nan 0.000 0.466 302 K N -0.188 120.234 120.400 0.035 0.000 2.281 302 K HA -0.179 4.143 4.320 0.004 0.000 0.203 302 K C 2.223 178.828 176.600 0.009 0.000 1.046 302 K CA 1.858 58.157 56.287 0.020 0.000 0.938 302 K CB -0.469 32.035 32.500 0.006 0.000 0.737 302 K HN 0.095 nan 8.250 nan 0.000 0.458 303 K N 2.131 122.538 120.400 0.012 0.000 2.063 303 K HA -0.122 4.200 4.320 0.004 0.000 0.208 303 K C 2.104 178.701 176.600 -0.006 0.000 1.048 303 K CA 1.827 58.115 56.287 0.002 0.000 0.928 303 K CB -0.661 31.843 32.500 0.006 0.000 0.713 303 K HN 0.477 nan 8.250 nan 0.000 0.442 304 R N -0.591 119.919 120.500 0.018 0.000 2.112 304 R HA 0.275 4.617 4.340 0.004 0.000 0.216 304 R C 2.550 178.852 176.300 0.004 0.000 1.080 304 R CA 0.773 56.885 56.100 0.019 0.000 0.996 304 R CB -0.247 30.086 30.300 0.056 0.000 0.902 304 R HN 0.328 nan 8.270 nan 0.000 0.449 305 L N 0.590 121.818 121.223 0.008 0.000 2.083 305 L HA -0.198 4.144 4.340 0.004 0.000 0.209 305 L C 2.104 178.859 176.870 -0.191 0.000 1.083 305 L CA 0.763 55.534 54.840 -0.114 0.000 0.752 305 L CB -0.373 41.681 42.059 -0.009 0.000 0.899 305 L HN 0.147 nan 8.230 nan 0.000 0.433 306 L N -0.657 120.507 121.223 -0.100 0.000 2.079 306 L HA -0.176 4.166 4.340 0.004 0.000 0.210 306 L C 2.398 179.185 176.870 -0.140 0.000 1.081 306 L CA 1.512 56.296 54.840 -0.094 0.000 0.752 306 L CB -0.732 41.298 42.059 -0.048 0.000 0.896 306 L HN 0.006 nan 8.230 nan 0.000 0.433 307 V N -0.774 119.052 119.914 -0.148 0.000 2.323 307 V HA -0.194 3.929 4.120 0.004 0.000 0.244 307 V C 2.688 178.629 176.094 -0.255 0.000 1.041 307 V CA 1.323 63.528 62.300 -0.158 0.000 1.025 307 V CB -1.164 30.578 31.823 -0.134 0.000 0.656 307 V HN 0.468 nan 8.190 nan 0.000 0.451 308 A N -0.281 122.305 122.820 -0.391 0.000 1.948 308 A HA -0.300 4.022 4.320 0.004 0.000 0.220 308 A C 2.343 179.368 177.584 -0.931 0.000 1.177 308 A CA 2.288 53.898 52.037 -0.712 0.000 0.636 308 A CB -0.546 17.671 19.000 -1.306 0.000 0.815 308 A HN 0.482 nan 8.150 nan 0.000 0.449 309 K N -1.099 118.810 120.400 -0.818 0.000 2.283 309 K HA -0.016 4.306 4.320 0.004 0.000 0.202 309 K C 1.878 178.389 176.600 -0.150 0.000 1.048 309 K CA 1.239 57.259 56.287 -0.444 0.000 0.948 309 K CB -0.184 32.228 32.500 -0.147 0.000 0.742 309 K HN 0.585 nan 8.250 nan 0.000 0.458 310 M N -0.178 119.330 119.600 -0.154 0.000 2.287 310 M HA -0.022 4.460 4.480 0.004 0.000 0.266 310 M C 1.881 178.155 176.300 -0.042 0.000 1.079 310 M CA 1.112 56.372 55.300 -0.067 0.000 1.146 310 M CB 0.089 32.651 32.600 -0.062 0.000 1.374 310 M HN 0.067 nan 8.290 nan 0.000 0.435 311 I N -0.727 119.798 120.570 -0.075 0.000 2.703 311 I HA -0.091 4.081 4.170 0.004 0.000 0.259 311 I C 0.421 176.568 176.117 0.051 0.000 1.151 311 I CA 0.671 61.954 61.300 -0.028 0.000 1.470 311 I CB 0.040 38.001 38.000 -0.065 0.000 1.112 311 I HN 0.120 nan 8.210 nan 0.000 0.437 312 D N 0.523 120.985 120.400 0.104 0.000 2.483 312 D HA 0.199 4.841 4.640 0.004 0.000 0.281 312 D C 0.797 177.325 176.300 0.379 0.000 1.174 312 D CA -0.257 53.932 54.000 0.316 0.000 0.938 312 D CB 0.664 41.815 40.800 0.586 0.000 1.002 312 D HN -0.136 nan 8.370 nan 0.000 0.501 313 L N 2.091 123.437 121.223 0.204 0.000 2.265 313 L HA -0.028 4.314 4.340 0.004 0.000 0.215 313 L C 2.145 179.075 176.870 0.100 0.000 1.117 313 L CA 1.262 56.194 54.840 0.153 0.000 0.782 313 L CB -0.405 41.701 42.059 0.079 0.000 0.914 313 L HN 0.349 nan 8.230 nan 0.000 0.441 314 K N -0.903 119.528 120.400 0.051 0.000 2.281 314 K HA -0.134 4.188 4.320 0.004 0.000 0.203 314 K C 0.327 176.651 176.600 -0.461 0.000 1.046 314 K CA 1.174 57.341 56.287 -0.200 0.000 0.938 314 K CB -0.179 32.160 32.500 -0.270 0.000 0.737 314 K HN 0.474 nan 8.250 nan 0.000 0.458 315 H N -0.908 118.176 119.070 0.023 0.000 2.528 315 H HA 0.154 4.712 4.556 0.004 0.000 0.256 315 H C 0.721 175.951 175.328 -0.165 0.000 1.204 315 H CA -0.258 55.663 56.048 -0.210 0.000 0.955 315 H CB 0.628 30.057 29.762 -0.556 0.000 1.817 315 H HN 0.005 nan 8.280 nan 0.000 0.579 316 T N -0.457 114.182 114.554 0.142 0.000 2.635 316 T HA -0.264 4.089 4.350 0.004 0.000 0.267 316 T C 1.921 176.695 174.700 0.124 0.000 1.040 316 T CA 1.819 64.056 62.100 0.229 0.000 1.156 316 T CB 0.150 69.096 68.868 0.131 0.000 0.863 316 T HN 0.593 nan 8.240 nan 0.000 0.430 317 E N 0.931 121.140 120.200 0.017 0.000 2.058 317 E HA -0.216 4.136 4.350 0.004 0.000 0.194 317 E C 2.224 178.792 176.600 -0.053 0.000 0.997 317 E CA 1.354 57.746 56.400 -0.013 0.000 0.801 317 E CB -0.050 29.620 29.700 -0.050 0.000 0.746 317 E HN 0.590 nan 8.360 nan 0.000 0.450 318 E N -0.457 119.644 120.200 -0.165 0.000 2.077 318 E HA -0.194 4.158 4.350 0.004 0.000 0.193 318 E C 1.854 178.332 176.600 -0.203 0.000 0.989 318 E CA 1.288 57.523 56.400 -0.275 0.000 0.800 318 E CB -0.219 29.194 29.700 -0.478 0.000 0.746 318 E HN 0.476 nan 8.360 nan 0.000 0.452 319 W N 0.800 122.064 121.300 -0.061 0.000 2.358 319 W HA -0.173 4.489 4.660 0.004 0.000 0.303 319 W C 2.620 179.108 176.519 -0.052 0.000 1.208 319 W CA 0.504 57.799 57.345 -0.084 0.000 1.274 319 W CB -0.162 29.267 29.460 -0.050 0.000 1.138 319 W HN 0.101 nan 8.180 nan 0.000 0.515 320 A N 0.646 123.589 122.820 0.205 0.000 1.877 320 A HA -0.226 4.096 4.320 0.004 0.000 0.216 320 A C 1.642 179.295 177.584 0.115 0.000 1.186 320 A CA 2.132 54.248 52.037 0.132 0.000 0.620 320 A CB -0.927 18.136 19.000 0.106 0.000 0.822 320 A HN 0.162 nan 8.150 nan 0.000 0.443 321 D N 0.236 120.694 120.400 0.098 0.000 2.123 321 D HA -0.081 4.561 4.640 0.004 0.000 0.196 321 D C 2.194 178.556 176.300 0.104 0.000 0.992 321 D CA 1.598 55.680 54.000 0.137 0.000 0.833 321 D CB -0.519 40.285 40.800 0.007 0.000 0.954 321 D HN 0.437 nan 8.370 nan 0.000 0.455 322 A N 0.689 123.535 122.820 0.043 0.000 1.933 322 A HA -0.118 4.204 4.320 0.004 0.000 0.218 322 A C 2.387 179.999 177.584 0.048 0.000 1.175 322 A CA 0.786 52.838 52.037 0.026 0.000 0.628 322 A CB -0.667 18.335 19.000 0.003 0.000 0.814 322 A HN 0.182 nan 8.150 nan 0.000 0.444 323 I N -0.315 120.296 120.570 0.067 0.000 2.179 323 I HA -0.287 3.885 4.170 0.004 0.000 0.242 323 I C 3.005 179.137 176.117 0.024 0.000 1.088 323 I CA 1.003 62.330 61.300 0.045 0.000 1.357 323 I CB -0.378 37.651 38.000 0.049 0.000 1.051 323 I HN 0.372 nan 8.210 nan 0.000 0.409 324 A N 1.022 123.862 122.820 0.034 0.000 1.865 324 A HA -0.237 4.085 4.320 0.004 0.000 0.217 324 A C 2.413 179.988 177.584 -0.016 0.000 1.191 324 A CA 1.717 53.747 52.037 -0.011 0.000 0.623 324 A CB -0.654 18.331 19.000 -0.024 0.000 0.826 324 A HN 0.307 nan 8.150 nan 0.000 0.444 325 R N -0.800 119.723 120.500 0.038 0.000 2.070 325 R HA -0.118 4.224 4.340 0.004 0.000 0.233 325 R C 2.555 178.853 176.300 -0.002 0.000 1.137 325 R CA 2.076 58.195 56.100 0.032 0.000 0.945 325 R CB -0.959 29.375 30.300 0.058 0.000 0.845 325 R HN 0.773 nan 8.270 nan 0.000 0.430 326 T N -1.469 113.080 114.554 -0.009 0.000 2.867 326 T HA -0.131 4.222 4.350 0.004 0.000 0.268 326 T C 1.460 176.127 174.700 -0.054 0.000 1.057 326 T CA 1.577 63.653 62.100 -0.039 0.000 1.136 326 T CB -0.126 68.729 68.868 -0.021 0.000 0.874 326 T HN 0.051 nan 8.240 nan 0.000 0.466 327 D N 0.836 121.215 120.400 -0.035 0.000 2.339 327 D HA 0.138 4.780 4.640 0.004 0.000 0.217 327 D C 0.416 176.690 176.300 -0.042 0.000 1.050 327 D CA 0.244 54.221 54.000 -0.039 0.000 0.856 327 D CB -0.480 40.304 40.800 -0.027 0.000 0.922 327 D HN 0.309 nan 8.370 nan 0.000 0.518 328 S N -0.447 115.228 115.700 -0.042 0.000 3.436 328 S HA -0.201 4.271 4.470 0.004 0.000 0.393 328 S C 1.003 175.568 174.600 -0.059 0.000 0.914 328 S CA 0.884 59.059 58.200 -0.042 0.000 1.317 328 S CB -1.558 61.625 63.200 -0.027 0.000 0.920 328 S HN 0.492 nan 8.310 nan 0.000 0.564 329 T N -1.498 113.004 114.554 -0.087 0.000 3.054 329 T HA 0.500 4.852 4.350 0.004 0.000 0.255 329 T C 0.638 175.233 174.700 -0.174 0.000 1.035 329 T CA 0.425 62.460 62.100 -0.109 0.000 0.941 329 T CB 0.363 69.168 68.868 -0.106 0.000 1.026 329 T HN 1.346 nan 8.240 nan 0.000 0.533 330 V N -2.426 117.373 119.914 -0.191 0.000 3.181 330 V HA 0.966 5.089 4.120 0.004 0.000 0.308 330 V C -0.121 175.910 176.094 -0.104 0.000 1.214 330 V CA -1.695 60.448 62.300 -0.263 0.000 1.053 330 V CB 1.089 32.527 31.823 -0.641 0.000 1.069 330 V HN 0.314 nan 8.190 nan 0.000 0.441 331 A N 0.656 123.447 122.820 -0.049 0.000 2.406 331 A HA 0.730 5.052 4.320 0.004 0.000 0.243 331 A C 1.668 179.289 177.584 0.062 0.000 1.082 331 A CA 0.303 52.352 52.037 0.020 0.000 0.786 331 A CB 0.285 19.310 19.000 0.040 0.000 1.029 331 A HN 2.295 nan 8.150 nan 0.000 0.495 332 A N 1.003 123.859 122.820 0.060 0.000 1.978 332 A HA 0.058 4.380 4.320 0.004 0.000 0.220 332 A C 1.863 179.489 177.584 0.069 0.000 1.170 332 A CA 2.107 54.185 52.037 0.069 0.000 0.636 332 A CB -0.874 18.171 19.000 0.074 0.000 0.810 332 A HN 1.543 nan 8.150 nan 0.000 0.448 333 G N -2.582 106.259 108.800 0.068 0.000 3.233 333 G HA2 0.247 4.209 3.960 0.004 0.000 0.227 333 G HA3 0.247 4.209 3.960 0.004 0.000 0.227 333 G C 0.207 175.138 174.900 0.052 0.000 1.175 333 G CA -0.276 44.846 45.100 0.037 0.000 0.781 333 G HN 0.424 nan 8.290 nan 0.000 0.542 334 Y N 2.081 122.360 120.300 -0.034 0.000 2.804 334 Y HA 0.047 4.599 4.550 0.004 0.000 0.338 334 Y C 1.247 177.113 175.900 -0.056 0.000 1.252 334 Y CA 0.089 58.166 58.100 -0.039 0.000 1.576 334 Y CB 0.030 38.472 38.460 -0.031 0.000 1.223 334 Y HN 0.358 nan 8.280 nan 0.000 0.536 335 K N 4.164 124.255 120.400 -0.514 0.000 3.020 335 K HA -0.203 4.119 4.320 0.004 0.000 0.266 335 K C -0.698 175.732 176.600 -0.283 0.000 1.067 335 K CA 0.489 56.485 56.287 -0.485 0.000 0.780 335 K CB -1.233 30.829 32.500 -0.729 0.000 1.220 335 K HN 0.445 nan 8.250 nan 0.000 0.483 336 I N 2.351 122.802 120.570 -0.198 0.000 2.322 336 I HA 0.078 4.250 4.170 0.004 0.000 0.292 336 I C 0.971 176.986 176.117 -0.171 0.000 1.060 336 I CA 0.196 61.391 61.300 -0.175 0.000 1.309 336 I CB 0.772 38.688 38.000 -0.139 0.000 1.415 336 I HN 0.049 nan 8.210 nan 0.000 0.492 337 E N 7.887 127.982 120.200 -0.175 0.000 2.319 337 E HA 0.355 4.707 4.350 0.004 0.000 0.268 337 E C -2.200 174.313 176.600 -0.145 0.000 1.050 337 E CA -1.917 54.394 56.400 -0.148 0.000 0.878 337 E CB 0.664 30.285 29.700 -0.133 0.000 1.066 337 E HN 0.239 nan 8.360 nan 0.000 0.406 338 P HA -0.019 nan 4.420 nan 0.000 0.261 338 P C -1.098 176.113 177.300 -0.149 0.000 1.183 338 P CA 0.797 63.767 63.100 -0.217 0.000 0.761 338 P CB 0.001 31.560 31.700 -0.235 0.000 0.785 339 Y N 2.792 122.871 120.300 -0.369 0.000 2.581 339 Y HA 0.591 5.143 4.550 0.004 0.000 0.337 339 Y C -1.362 174.367 175.900 -0.284 0.000 1.108 339 Y CA -0.922 57.004 58.100 -0.291 0.000 1.033 339 Y CB 1.887 40.197 38.460 -0.249 0.000 1.318 339 Y HN 0.456 nan 8.280 nan 0.000 0.459 340 H N 2.737 121.181 119.070 -1.044 0.000 3.086 340 H HA 0.484 5.042 4.556 0.004 0.000 0.353 340 H C -2.217 172.606 175.328 -0.841 0.000 1.134 340 H CA -0.521 55.095 56.048 -0.721 0.000 1.248 340 H CB 1.267 30.784 29.762 -0.409 0.000 1.878 340 H HN 0.771 nan 8.280 nan 0.000 0.527 341 H N 2.683 121.141 119.070 -1.020 0.000 3.083 341 H HA 0.267 4.825 4.556 0.004 0.000 0.339 341 H C -1.539 173.404 175.328 -0.642 0.000 1.020 341 H CA -0.679 54.934 56.048 -0.724 0.000 1.360 341 H CB 1.481 30.839 29.762 -0.673 0.000 1.811 341 H HN 0.595 nan 8.280 nan 0.000 0.493 342 Q N 4.797 124.126 119.800 -0.785 0.000 2.331 342 Q HA 0.292 4.634 4.340 0.004 0.000 0.257 342 Q C -1.423 174.174 176.000 -0.672 0.000 0.957 342 Q CA -0.348 55.159 55.803 -0.493 0.000 0.923 342 Q CB 0.148 28.816 28.738 -0.117 0.000 1.212 342 Q HN 0.511 nan 8.270 nan 0.000 0.443 343 F N 5.324 125.007 119.950 -0.445 0.000 2.509 343 F HA 0.165 4.694 4.527 0.003 0.000 0.350 343 F C 0.480 176.169 175.800 -0.185 0.000 1.220 343 F CA -0.570 57.209 58.000 -0.369 0.000 1.151 343 F CB -0.042 38.892 39.000 -0.109 0.000 1.379 343 F HN 0.775 nan 8.300 nan 0.000 0.610 344 W N 1.370 122.697 121.300 0.044 0.000 2.392 344 W HA -0.128 4.534 4.660 0.003 0.000 0.279 344 W C 0.855 177.462 176.519 0.147 0.000 1.225 344 W CA 1.272 58.668 57.345 0.086 0.000 1.233 344 W CB -1.004 28.492 29.460 0.062 0.000 1.122 344 W HN 0.313 nan 8.180 nan 0.000 0.561 345 N N 0.231 118.737 118.700 -0.323 0.000 2.251 345 N HA 0.056 4.798 4.740 0.004 0.000 0.181 345 N C 2.115 177.619 175.510 -0.012 0.000 1.019 345 N CA 1.249 54.124 53.050 -0.291 0.000 0.862 345 N CB -0.657 37.435 38.487 -0.657 0.000 0.992 345 N HN 0.302 nan 8.380 nan 0.000 0.429 346 G N -0.221 108.582 108.800 0.004 0.000 2.712 346 G HA2 -0.084 3.878 3.960 0.004 0.000 0.212 346 G HA3 -0.084 3.878 3.960 0.004 0.000 0.212 346 G C -0.289 174.687 174.900 0.126 0.000 1.142 346 G CA -0.010 45.128 45.100 0.064 0.000 0.789 346 G HN 0.104 nan 8.290 nan 0.000 0.535 347 D N -1.790 118.718 120.400 0.180 0.000 2.705 347 D HA -0.178 4.464 4.640 0.004 0.000 0.240 347 D C -0.725 175.685 176.300 0.183 0.000 1.137 347 D CA 1.056 55.159 54.000 0.172 0.000 0.677 347 D CB -1.227 39.656 40.800 0.139 0.000 1.049 347 D HN 0.481 nan 8.370 nan 0.000 0.427 348 Y N -1.076 119.248 120.300 0.040 0.000 2.552 348 Y HA 0.559 5.111 4.550 0.004 0.000 0.337 348 Y C -1.808 174.166 175.900 0.123 0.000 1.094 348 Y CA -1.032 57.061 58.100 -0.012 0.000 1.028 348 Y CB 1.730 40.096 38.460 -0.156 0.000 1.321 348 Y HN -0.107 nan 8.280 nan 0.000 0.456 349 V N 5.828 125.474 119.914 -0.446 0.000 2.808 349 V HA 0.566 4.688 4.120 0.004 0.000 0.308 349 V C -1.704 173.977 176.094 -0.687 0.000 1.099 349 V CA -0.329 61.672 62.300 -0.499 0.000 0.920 349 V CB 2.152 33.758 31.823 -0.362 0.000 1.014 349 V HN 0.918 nan 8.190 nan 0.000 0.425 350 Q N 3.870 123.318 119.800 -0.587 0.000 2.342 350 Q HA 0.566 4.908 4.340 0.004 0.000 0.267 350 Q C -1.633 174.147 176.000 -0.365 0.000 1.038 350 Q CA -0.702 54.893 55.803 -0.346 0.000 0.832 350 Q CB 2.558 31.246 28.738 -0.083 0.000 1.323 350 Q HN 0.841 nan 8.270 nan 0.000 0.448 351 H N 1.632 120.581 119.070 -0.202 0.000 3.013 351 H HA 0.441 5.000 4.556 0.004 0.000 0.326 351 H C -1.909 173.435 175.328 0.027 0.000 0.973 351 H CA -0.458 55.530 56.048 -0.100 0.000 1.369 351 H CB 0.576 30.379 29.762 0.068 0.000 1.598 351 H HN 0.380 nan 8.280 nan 0.000 0.518 352 L N 4.904 125.947 121.223 -0.300 0.000 2.329 352 L HA 0.647 4.989 4.340 0.004 0.000 0.279 352 L C -0.275 176.298 176.870 -0.496 0.000 1.014 352 L CA -0.573 54.091 54.840 -0.293 0.000 0.814 352 L CB 1.362 43.344 42.059 -0.128 0.000 1.257 352 L HN 0.579 nan 8.230 nan 0.000 0.424 353 R N 2.313 122.466 120.500 -0.580 0.000 2.799 353 R HA 0.441 4.783 4.340 0.004 0.000 0.270 353 R C -2.057 174.040 176.300 -0.339 0.000 1.010 353 R CA -1.991 53.794 56.100 -0.524 0.000 0.916 353 R CB 0.952 30.799 30.300 -0.754 0.000 1.228 353 R HN 0.151 nan 8.270 nan 0.000 0.469 354 P HA -0.121 nan 4.420 nan 0.000 0.216 354 P C 0.677 177.946 177.300 -0.051 0.000 1.153 354 P CA 1.840 64.878 63.100 -0.105 0.000 0.858 354 P CB 0.284 31.947 31.700 -0.063 0.000 0.789 355 A N -2.899 119.918 122.820 -0.006 0.000 2.251 355 A HA 0.207 4.529 4.320 0.004 0.000 0.209 355 A C 0.381 178.101 177.584 0.227 0.000 1.187 355 A CA 0.420 52.527 52.037 0.116 0.000 0.823 355 A CB -0.772 18.337 19.000 0.182 0.000 0.846 355 A HN 0.374 nan 8.150 nan 0.000 0.486 356 Y N -4.895 115.447 120.300 0.070 0.000 2.814 356 Y HA 0.638 5.190 4.550 0.004 0.000 0.348 356 Y C -0.999 174.978 175.900 0.129 0.000 1.245 356 Y CA -1.268 56.898 58.100 0.110 0.000 1.086 356 Y CB 0.178 38.729 38.460 0.152 0.000 1.373 356 Y HN -0.186 nan 8.280 nan 0.000 0.451 357 S N 1.384 117.294 115.700 0.350 0.000 2.547 357 S HA 0.657 5.129 4.470 0.004 0.000 0.281 357 S C -2.110 172.839 174.600 0.581 0.000 1.118 357 S CA -0.599 57.774 58.200 0.288 0.000 0.947 357 S CB 1.398 64.685 63.200 0.146 0.000 1.053 357 S HN 0.701 nan 8.310 nan 0.000 0.482 358 F N 4.034 124.269 119.950 0.474 0.000 2.771 358 F HA 0.470 4.999 4.527 0.004 0.000 0.365 358 F C -0.968 175.034 175.800 0.337 0.000 1.169 358 F CA -0.563 57.708 58.000 0.452 0.000 1.093 358 F CB 0.720 40.072 39.000 0.587 0.000 1.363 358 F HN 0.453 nan 8.300 nan 0.000 0.496 359 N N 4.664 123.503 118.700 0.232 0.000 2.361 359 N HA 0.607 5.349 4.740 0.004 0.000 0.302 359 N C -1.331 174.177 175.510 -0.004 0.000 1.074 359 N CA -0.579 52.528 53.050 0.096 0.000 0.850 359 N CB 2.732 41.229 38.487 0.017 0.000 1.228 359 N HN 0.229 nan 8.380 nan 0.000 0.491 360 V N 0.960 120.846 119.914 -0.047 0.000 2.588 360 V HA 0.460 4.582 4.120 0.004 0.000 0.304 360 V C 0.130 176.197 176.094 -0.044 0.000 1.042 360 V CA -0.886 61.308 62.300 -0.176 0.000 0.877 360 V CB 2.270 33.767 31.823 -0.543 0.000 0.996 360 V HN 0.570 nan 8.190 nan 0.000 0.425 361 R N 4.071 124.543 120.500 -0.047 0.000 2.338 361 R HA 0.820 5.163 4.340 0.004 0.000 0.317 361 R C -0.771 175.451 176.300 -0.129 0.000 0.968 361 R CA -0.336 55.768 56.100 0.008 0.000 0.849 361 R CB 1.191 31.481 30.300 -0.017 0.000 1.128 361 R HN 0.793 nan 8.270 nan 0.000 0.448 362 M N 2.472 121.990 119.600 -0.136 0.000 2.752 362 M HA 0.612 5.094 4.480 0.004 0.000 0.285 362 M C -1.192 174.982 176.300 -0.210 0.000 1.140 362 M CA -1.113 53.977 55.300 -0.349 0.000 0.767 362 M CB 2.010 34.474 32.600 -0.227 0.000 1.736 362 M HN 0.387 nan 8.290 nan 0.000 0.452 363 V N -0.355 119.443 119.914 -0.193 0.000 3.258 363 V HA 0.883 5.005 4.120 0.004 0.000 0.299 363 V C -1.755 174.470 176.094 0.218 0.000 1.376 363 V CA 0.009 62.331 62.300 0.038 0.000 1.063 363 V CB 2.514 34.355 31.823 0.030 0.000 1.103 363 V HN 1.093 nan 8.190 nan 0.000 0.451 364 S N 2.144 117.956 115.700 0.186 0.000 2.703 364 S HA 0.477 4.949 4.470 0.004 0.000 0.273 364 S C 0.116 174.786 174.600 0.117 0.000 1.178 364 S CA -0.285 58.034 58.200 0.199 0.000 0.838 364 S CB 1.619 64.931 63.200 0.187 0.000 1.178 364 S HN 0.761 nan 8.310 nan 0.000 0.494 365 K N 0.264 120.717 120.400 0.088 0.000 2.360 365 K HA 0.046 4.368 4.320 0.004 0.000 0.201 365 K C 1.672 178.253 176.600 -0.032 0.000 1.046 365 K CA 0.917 57.226 56.287 0.036 0.000 0.945 365 K CB -0.210 32.306 32.500 0.026 0.000 0.750 365 K HN 0.419 nan 8.250 nan 0.000 0.464 366 R N 0.353 120.816 120.500 -0.061 0.000 2.280 366 R HA 0.015 4.357 4.340 0.004 0.000 0.195 366 R C 0.792 177.039 176.300 -0.087 0.000 0.935 366 R CA 0.681 56.646 56.100 -0.224 0.000 1.033 366 R CB 0.353 30.433 30.300 -0.366 0.000 0.964 366 R HN 0.201 nan 8.270 nan 0.000 0.489 367 T N -1.997 112.576 114.554 0.032 0.000 2.742 367 T HA 0.522 4.874 4.350 0.004 0.000 0.282 367 T C -0.414 174.320 174.700 0.056 0.000 1.025 367 T CA -1.118 61.029 62.100 0.078 0.000 1.020 367 T CB 2.148 71.084 68.868 0.113 0.000 1.317 367 T HN -0.214 nan 8.240 nan 0.000 0.538 368 R N 0.366 120.899 120.500 0.055 0.000 2.711 368 R HA 0.547 4.889 4.340 0.004 0.000 0.284 368 R C -0.051 176.265 176.300 0.028 0.000 0.968 368 R CA -0.806 55.322 56.100 0.047 0.000 0.924 368 R CB 1.818 32.156 30.300 0.063 0.000 1.162 368 R HN 0.658 nan 8.270 nan 0.000 0.465 369 R N 0.131 120.634 120.500 0.006 0.000 2.679 369 R HA 0.119 4.461 4.340 0.004 0.000 0.269 369 R C 0.405 176.699 176.300 -0.011 0.000 1.076 369 R CA -0.196 55.882 56.100 -0.036 0.000 1.160 369 R CB 0.482 30.713 30.300 -0.115 0.000 1.054 369 R HN 0.465 nan 8.270 nan 0.000 0.507 370 S N 1.189 116.878 115.700 -0.017 0.000 2.563 370 S HA -0.078 4.394 4.470 0.004 0.000 0.294 370 S C 0.018 174.619 174.600 0.001 0.000 1.279 370 S CA -0.261 57.947 58.200 0.012 0.000 1.069 370 S CB 0.108 63.325 63.200 0.028 0.000 0.828 370 S HN 0.506 nan 8.310 nan 0.000 0.497 371 E N 2.919 123.144 120.200 0.042 0.000 2.318 371 E HA 0.520 4.872 4.350 0.004 0.000 0.265 371 E C -0.523 176.034 176.600 -0.072 0.000 1.069 371 E CA -0.867 55.547 56.400 0.023 0.000 0.893 371 E CB 1.128 30.931 29.700 0.171 0.000 1.076 371 E HN 0.355 nan 8.360 nan 0.000 0.414 372 S N 0.760 116.343 115.700 -0.194 0.000 2.500 372 S HA 0.771 5.243 4.470 0.004 0.000 0.301 372 S C -0.717 173.538 174.600 -0.575 0.000 1.092 372 S CA 0.091 58.113 58.200 -0.297 0.000 1.030 372 S CB 1.304 64.335 63.200 -0.282 0.000 1.031 372 S HN 0.848 nan 8.310 nan 0.000 0.483 373 G N 2.436 110.865 108.800 -0.619 0.000 2.616 373 G HA2 0.423 4.385 3.960 0.004 0.000 0.294 373 G HA3 0.423 4.385 3.960 0.004 0.000 0.294 373 G C -0.905 173.716 174.900 -0.464 0.000 1.489 373 G CA -0.791 43.632 45.100 -1.129 0.000 0.836 373 G HN 0.714 nan 8.290 nan 0.000 0.527 374 N N 0.396 118.948 118.700 -0.247 0.000 2.721 374 N HA -0.183 4.559 4.740 0.004 0.000 0.249 374 N C 0.632 176.096 175.510 -0.076 0.000 1.072 374 N CA 1.556 54.608 53.050 0.002 0.000 0.710 374 N CB -0.727 37.835 38.487 0.125 0.000 0.993 374 N HN 1.005 nan 8.380 nan 0.000 0.547 375 K N -2.134 118.173 120.400 -0.154 0.000 3.160 375 K HA -0.250 4.072 4.320 0.004 0.000 0.280 375 K C -0.495 175.994 176.600 -0.185 0.000 1.154 375 K CA 1.234 57.417 56.287 -0.172 0.000 0.822 375 K CB -1.074 31.344 32.500 -0.136 0.000 1.239 375 K HN 0.561 nan 8.250 nan 0.000 0.489 376 E N 0.592 120.684 120.200 -0.179 0.000 2.221 376 E HA 0.241 4.593 4.350 0.004 0.000 0.268 376 E C 0.099 176.589 176.600 -0.184 0.000 0.933 376 E CA -1.109 55.207 56.400 -0.141 0.000 0.809 376 E CB 1.098 30.752 29.700 -0.076 0.000 1.190 376 E HN 0.192 nan 8.360 nan 0.000 0.406 377 N N 1.491 120.084 118.700 -0.178 0.000 2.725 377 N HA -0.208 4.534 4.740 0.004 0.000 0.251 377 N C 0.128 175.435 175.510 -0.338 0.000 1.031 377 N CA 0.292 53.201 53.050 -0.235 0.000 0.720 377 N CB -1.111 37.302 38.487 -0.123 0.000 0.930 377 N HN 0.596 nan 8.380 nan 0.000 0.543 378 L N -0.795 120.194 121.223 -0.390 0.000 2.187 378 L HA -0.134 4.208 4.340 0.004 0.000 0.213 378 L C 1.725 178.326 176.870 -0.448 0.000 1.100 378 L CA 1.079 55.689 54.840 -0.383 0.000 0.765 378 L CB -0.197 41.646 42.059 -0.360 0.000 0.904 378 L HN 0.365 nan 8.230 nan 0.000 0.437 379 L N -0.859 119.945 121.223 -0.698 0.000 2.808 379 L HA 0.222 4.564 4.340 0.004 0.000 0.246 379 L C 1.604 178.158 176.870 -0.526 0.000 1.153 379 L CA -0.173 54.230 54.840 -0.729 0.000 0.956 379 L CB 0.020 41.381 42.059 -1.164 0.000 1.270 379 L HN 0.116 nan 8.230 nan 0.000 0.528 380 G N 0.157 108.713 108.800 -0.407 0.000 3.375 380 G HA2 -0.055 3.907 3.960 0.004 0.000 0.247 380 G HA3 -0.055 3.907 3.960 0.004 0.000 0.247 380 G C 1.296 176.154 174.900 -0.070 0.000 1.343 380 G CA -0.274 44.814 45.100 -0.021 0.000 1.368 380 G HN 0.232 nan 8.290 nan 0.000 0.549 381 R N -0.645 119.734 120.500 -0.202 0.000 2.152 381 R HA -0.079 4.263 4.340 0.004 0.000 0.232 381 R C 0.533 176.478 176.300 -0.592 0.000 1.117 381 R CA 1.080 56.910 56.100 -0.450 0.000 0.981 381 R CB -0.017 29.875 30.300 -0.680 0.000 0.870 381 R HN 0.573 nan 8.270 nan 0.000 0.451 382 Y N -0.922 119.431 120.300 0.089 0.000 2.660 382 Y HA 0.195 4.748 4.550 0.004 0.000 0.254 382 Y C 1.186 177.115 175.900 0.047 0.000 1.176 382 Y CA -0.460 57.682 58.100 0.069 0.000 1.195 382 Y CB 0.478 39.006 38.460 0.114 0.000 1.190 382 Y HN -0.064 nan 8.280 nan 0.000 0.535 383 L N -0.712 120.594 121.223 0.137 0.000 2.265 383 L HA -0.190 4.153 4.340 0.004 0.000 0.215 383 L C 1.591 178.518 176.870 0.096 0.000 1.117 383 L CA 1.286 56.206 54.840 0.132 0.000 0.782 383 L CB -0.134 42.027 42.059 0.170 0.000 0.914 383 L HN 0.181 nan 8.230 nan 0.000 0.441 384 S N -1.785 113.940 115.700 0.042 0.000 2.556 384 S HA 0.033 4.506 4.470 0.004 0.000 0.216 384 S C 0.397 174.952 174.600 -0.075 0.000 0.970 384 S CA -0.095 58.090 58.200 -0.025 0.000 0.912 384 S CB 0.051 63.216 63.200 -0.057 0.000 0.790 384 S HN 0.277 nan 8.310 nan 0.000 0.504 385 D N 2.366 122.810 120.400 0.073 0.000 2.994 385 D HA 0.330 4.972 4.640 0.004 0.000 0.240 385 D C 0.947 177.416 176.300 0.281 0.000 1.195 385 D CA 0.098 54.228 54.000 0.218 0.000 0.957 385 D CB -0.255 40.791 40.800 0.410 0.000 1.105 385 D HN 0.390 nan 8.370 nan 0.000 0.477 386 G N 0.719 109.557 108.800 0.064 0.000 2.248 386 G HA2 -0.153 3.809 3.960 0.004 0.000 0.252 386 G HA3 -0.153 3.809 3.960 0.004 0.000 0.252 386 G C 0.401 175.430 174.900 0.215 0.000 1.085 386 G CA -0.171 45.092 45.100 0.272 0.000 0.845 386 G HN 0.605 nan 8.290 nan 0.000 0.494 387 A N 0.745 123.613 122.820 0.081 0.000 2.404 387 A HA 0.711 5.033 4.320 0.004 0.000 0.273 387 A C 0.996 178.583 177.584 0.005 0.000 1.144 387 A CA 0.869 52.974 52.037 0.114 0.000 0.806 387 A CB 0.255 19.375 19.000 0.201 0.000 1.080 387 A HN 1.831 nan 8.150 nan 0.000 0.509 388 T N 0.867 115.443 114.554 0.035 0.000 2.781 388 T HA 0.377 4.729 4.350 0.004 0.000 0.305 388 T C -0.274 174.284 174.700 -0.237 0.000 1.001 388 T CA -0.696 61.298 62.100 -0.177 0.000 0.950 388 T CB 0.098 68.900 68.868 -0.111 0.000 0.955 388 T HN 0.597 nan 8.240 nan 0.000 0.471 389 N N 4.094 122.549 118.700 -0.409 0.000 2.406 389 N HA 0.336 5.078 4.740 0.004 0.000 0.251 389 N C -0.724 174.691 175.510 -0.158 0.000 1.069 389 N CA -0.620 52.164 53.050 -0.443 0.000 0.947 389 N CB 0.179 38.226 38.487 -0.733 0.000 1.111 389 N HN 0.684 nan 8.380 nan 0.000 0.497 390 I N 2.903 123.585 120.570 0.188 0.000 2.390 390 I HA 0.242 4.414 4.170 0.004 0.000 0.283 390 I C -0.425 175.892 176.117 0.334 0.000 1.016 390 I CA -0.615 60.796 61.300 0.184 0.000 1.151 390 I CB 1.285 39.371 38.000 0.143 0.000 1.293 390 I HN 0.402 nan 8.210 nan 0.000 0.458 391 Q N 5.016 124.987 119.800 0.285 0.000 2.340 391 Q HA 0.477 4.819 4.340 0.004 0.000 0.268 391 Q C -0.388 175.743 176.000 0.218 0.000 1.031 391 Q CA -0.641 55.302 55.803 0.233 0.000 0.804 391 Q CB 3.121 31.998 28.738 0.232 0.000 1.286 391 Q HN 0.562 nan 8.270 nan 0.000 0.448 392 L N 1.008 122.322 121.223 0.152 0.000 2.614 392 L HA 0.227 4.569 4.340 0.004 0.000 0.185 392 L C 1.837 178.766 176.870 0.098 0.000 1.098 392 L CA 0.834 55.761 54.840 0.145 0.000 0.852 392 L CB -0.085 42.036 42.059 0.103 0.000 1.213 392 L HN 0.457 nan 8.230 nan 0.000 0.491 393 R N -0.721 119.814 120.500 0.058 0.000 2.100 393 R HA 0.258 4.600 4.340 0.004 0.000 0.220 393 R C 1.323 177.664 176.300 0.069 0.000 1.091 393 R CA 1.035 57.160 56.100 0.042 0.000 0.986 393 R CB -0.005 30.294 30.300 -0.002 0.000 0.888 393 R HN 0.502 nan 8.270 nan 0.000 0.444 394 G N -0.101 108.737 108.800 0.062 0.000 3.151 394 G HA2 -0.168 3.794 3.960 0.004 0.000 0.197 394 G HA3 -0.168 3.794 3.960 0.004 0.000 0.197 394 G C -1.799 173.032 174.900 -0.115 0.000 1.682 394 G CA -0.144 45.031 45.100 0.125 0.000 1.205 394 G HN 0.228 nan 8.290 nan 0.000 0.510 395 P HA 0.289 nan 4.420 nan 0.000 0.255 395 P C 0.620 177.869 177.300 -0.086 0.000 1.427 395 P CA 0.548 63.231 63.100 -0.696 0.000 0.863 395 P CB 0.428 31.501 31.700 -1.044 0.000 1.444 396 E N -0.253 119.896 120.200 -0.086 0.000 2.219 396 E HA -0.181 4.171 4.350 0.004 0.000 0.198 396 E C 0.415 176.820 176.600 -0.325 0.000 0.998 396 E CA 1.678 57.960 56.400 -0.195 0.000 0.818 396 E CB -0.692 28.743 29.700 -0.442 0.000 0.741 396 E HN 0.540 nan 8.360 nan 0.000 0.477 397 Y N -2.598 117.787 120.300 0.141 0.000 2.641 397 Y HA 0.184 4.736 4.550 0.003 0.000 0.248 397 Y C -0.247 175.661 175.900 0.013 0.000 1.170 397 Y CA -0.946 57.102 58.100 -0.087 0.000 1.201 397 Y CB -0.033 38.424 38.460 -0.005 0.000 1.232 397 Y HN -0.075 nan 8.280 nan 0.000 0.537 398 Y N 3.416 123.869 120.300 0.256 0.000 2.770 398 Y HA -0.014 4.538 4.550 0.003 0.000 0.342 398 Y C 0.621 176.785 175.900 0.439 0.000 1.221 398 Y CA -0.069 58.208 58.100 0.294 0.000 1.560 398 Y CB -0.363 38.167 38.460 0.116 0.000 1.213 398 Y HN 0.327 nan 8.280 nan 0.000 0.525 399 N N 3.934 122.530 118.700 -0.174 0.000 2.714 399 N HA -0.321 4.421 4.740 0.004 0.000 0.250 399 N C 0.907 176.423 175.510 0.010 0.000 1.117 399 N CA 1.317 54.345 53.050 -0.036 0.000 0.719 399 N CB -1.464 36.928 38.487 -0.157 0.000 1.081 399 N HN 0.862 nan 8.380 nan 0.000 0.557 400 I N -0.494 119.894 120.570 -0.303 0.000 3.059 400 I HA -0.074 4.098 4.170 0.004 0.000 0.270 400 I C 1.742 177.258 176.117 -1.002 0.000 1.238 400 I CA 0.342 61.109 61.300 -0.888 0.000 1.478 400 I CB 0.131 37.161 38.000 -1.616 0.000 1.097 400 I HN 0.039 nan 8.210 nan 0.000 0.455 401 M N 1.553 120.595 119.600 -0.929 0.000 2.103 401 M HA -0.189 4.293 4.480 0.004 0.000 0.255 401 M C -0.631 175.485 176.300 -0.306 0.000 1.074 401 M CA 2.408 57.310 55.300 -0.664 0.000 1.090 401 M CB -1.980 30.486 32.600 -0.223 0.000 1.325 401 M HN 0.137 nan 8.290 nan 0.000 0.403 402 P HA -0.074 nan 4.420 nan 0.000 0.222 402 P C 1.024 178.302 177.300 -0.037 0.000 1.147 402 P CA 1.610 64.443 63.100 -0.445 0.000 0.790 402 P CB -0.223 30.828 31.700 -1.081 0.000 0.780 403 V N -7.065 112.774 119.914 -0.126 0.000 3.319 403 V HA 0.349 4.472 4.120 0.004 0.000 0.317 403 V C 0.363 176.467 176.094 0.017 0.000 1.411 403 V CA -0.867 61.426 62.300 -0.011 0.000 1.112 403 V CB -1.069 30.746 31.823 -0.013 0.000 1.031 403 V HN -0.172 nan 8.190 nan 0.000 0.448 404 W N 1.946 123.093 121.300 -0.254 0.000 2.202 404 W HA 0.420 5.083 4.660 0.004 0.000 0.332 404 W C 0.583 176.899 176.519 -0.338 0.000 1.263 404 W CA -0.847 56.194 57.345 -0.507 0.000 1.223 404 W CB 0.940 29.732 29.460 -1.113 0.000 1.128 404 W HN 0.327 nan 8.180 nan 0.000 0.573 405 E N 2.925 123.013 120.200 -0.187 0.000 2.046 405 E HA 0.076 4.428 4.350 0.004 0.000 0.279 405 E C 0.026 176.446 176.600 -0.301 0.000 0.989 405 E CA -0.452 55.872 56.400 -0.127 0.000 0.798 405 E CB 0.243 29.817 29.700 -0.211 0.000 1.086 405 E HN 0.475 nan 8.360 nan 0.000 0.399 406 W N 2.733 123.968 121.300 -0.109 0.000 2.611 406 W HA -0.071 4.591 4.660 0.004 0.000 0.251 406 W C 1.026 177.501 176.519 -0.074 0.000 1.265 406 W CA 0.531 57.797 57.345 -0.131 0.000 1.295 406 W CB 0.133 29.579 29.460 -0.022 0.000 1.129 406 W HN 0.589 nan 8.180 nan 0.000 0.630 407 D N -0.692 119.756 120.400 0.080 0.000 2.358 407 D HA 0.030 4.672 4.640 0.004 0.000 0.224 407 D C 0.502 176.664 176.300 -0.229 0.000 1.123 407 D CA 0.145 54.147 54.000 0.004 0.000 0.833 407 D CB -0.529 40.316 40.800 0.074 0.000 0.946 407 D HN 0.037 nan 8.370 nan 0.000 0.505 408 K N 0.708 120.903 120.400 -0.341 0.000 3.165 408 K HA 0.181 4.503 4.320 0.004 0.000 0.206 408 K C -0.434 175.819 176.600 -0.579 0.000 1.123 408 K CA -0.661 55.356 56.287 -0.450 0.000 0.978 408 K CB 0.971 33.146 32.500 -0.542 0.000 0.749 408 K HN 0.032 nan 8.250 nan 0.000 0.454 409 I N 2.529 122.758 120.570 -0.568 0.000 2.710 409 I HA 0.025 4.197 4.170 0.004 0.000 0.286 409 I C -2.106 173.769 176.117 -0.402 0.000 1.181 409 I CA -2.529 58.310 61.300 -0.768 0.000 1.430 409 I CB -0.357 37.360 38.000 -0.472 0.000 1.367 409 I HN -0.065 nan 8.210 nan 0.000 0.577 410 P HA 0.028 nan 4.420 nan 0.000 0.260 410 P C 0.895 178.257 177.300 0.103 0.000 1.172 410 P CA 1.187 64.281 63.100 -0.011 0.000 0.760 410 P CB 0.353 32.149 31.700 0.159 0.000 0.773 411 G N 2.888 111.794 108.800 0.176 0.000 2.253 411 G HA2 -0.276 3.686 3.960 0.004 0.000 0.251 411 G HA3 -0.276 3.686 3.960 0.004 0.000 0.251 411 G C 0.323 175.424 174.900 0.334 0.000 0.998 411 G CA 0.237 45.545 45.100 0.347 0.000 0.621 411 G HN 0.685 nan 8.290 nan 0.000 0.524 412 I N -0.109 120.574 120.570 0.187 0.000 2.612 412 I HA 0.729 4.902 4.170 0.004 0.000 0.295 412 I C 0.043 176.238 176.117 0.130 0.000 1.011 412 I CA -0.446 60.972 61.300 0.197 0.000 1.326 412 I CB 1.451 39.528 38.000 0.128 0.000 1.427 412 I HN -0.024 nan 8.210 nan 0.000 0.537 413 T N 4.422 119.086 114.554 0.183 0.000 2.795 413 T HA 0.529 4.881 4.350 0.004 0.000 0.282 413 T C -0.292 174.431 174.700 0.038 0.000 0.980 413 T CA -0.417 61.767 62.100 0.140 0.000 1.012 413 T CB 1.117 70.115 68.868 0.216 0.000 0.936 413 T HN 0.804 nan 8.240 nan 0.000 0.457 414 S N 2.073 117.735 115.700 -0.063 0.000 2.611 414 S HA 0.465 4.937 4.470 0.004 0.000 0.268 414 S C -1.313 173.133 174.600 -0.257 0.000 1.156 414 S CA -0.982 57.083 58.200 -0.225 0.000 0.817 414 S CB 1.131 64.067 63.200 -0.440 0.000 1.122 414 S HN 0.623 nan 8.310 nan 0.000 0.466 415 R N 1.338 121.613 120.500 -0.375 0.000 2.543 415 R HA 0.233 4.576 4.340 0.004 0.000 0.277 415 R C -0.915 175.024 176.300 -0.602 0.000 1.074 415 R CA -0.350 55.455 56.100 -0.491 0.000 1.076 415 R CB 0.325 30.204 30.300 -0.702 0.000 0.993 415 R HN 0.527 nan 8.270 nan 0.000 0.459 416 D N 3.237 123.359 120.400 -0.463 0.000 2.500 416 D HA 0.076 4.718 4.640 0.004 0.000 0.219 416 D C -0.705 175.411 176.300 -0.307 0.000 1.137 416 D CA -0.348 53.444 54.000 -0.347 0.000 0.946 416 D CB -0.106 40.537 40.800 -0.261 0.000 1.022 416 D HN 0.245 nan 8.370 nan 0.000 0.518 417 Y N 1.647 121.904 120.300 -0.070 0.000 2.379 417 Y HA 0.015 4.567 4.550 0.004 0.000 0.337 417 Y C 1.449 177.330 175.900 -0.031 0.000 1.238 417 Y CA -0.771 57.313 58.100 -0.026 0.000 1.405 417 Y CB 0.661 39.132 38.460 0.018 0.000 1.310 417 Y HN 0.237 nan 8.280 nan 0.000 0.569 418 L N 1.321 122.630 121.223 0.143 0.000 1.976 418 L HA -0.052 4.290 4.340 0.004 0.000 0.209 418 L C 1.013 177.932 176.870 0.082 0.000 1.071 418 L CA 1.986 56.870 54.840 0.074 0.000 0.746 418 L CB -0.738 41.358 42.059 0.061 0.000 0.890 418 L HN 0.805 nan 8.230 nan 0.000 0.432 419 T N -2.246 112.369 114.554 0.102 0.000 2.888 419 T HA 0.318 4.670 4.350 0.004 0.000 0.284 419 T C -0.334 174.422 174.700 0.094 0.000 1.017 419 T CA -0.979 61.169 62.100 0.080 0.000 1.022 419 T CB 1.051 69.948 68.868 0.048 0.000 1.013 419 T HN 0.055 nan 8.240 nan 0.000 0.465 420 D N 1.832 122.291 120.400 0.100 0.000 2.493 420 D HA 0.043 4.685 4.640 0.004 0.000 0.240 420 D C 0.347 176.618 176.300 -0.048 0.000 1.142 420 D CA 0.314 54.369 54.000 0.092 0.000 0.872 420 D CB 0.628 41.522 40.800 0.156 0.000 1.173 420 D HN 0.511 nan 8.370 nan 0.000 0.467 421 R N 3.909 124.310 120.500 -0.166 0.000 2.210 421 R HA 0.213 4.555 4.340 0.004 0.000 0.338 421 R C -2.204 173.970 176.300 -0.211 0.000 1.062 421 R CA -1.327 54.588 56.100 -0.307 0.000 0.902 421 R CB 0.769 30.656 30.300 -0.688 0.000 1.050 421 R HN 0.246 nan 8.270 nan 0.000 0.461 422 P HA 0.019 nan 4.420 nan 0.000 0.274 422 P C -0.411 176.768 177.300 -0.202 0.000 1.246 422 P CA -0.272 62.703 63.100 -0.209 0.000 0.795 422 P CB 0.917 32.508 31.700 -0.182 0.000 1.006 423 L N 0.932 122.027 121.223 -0.214 0.000 2.417 423 L HA 0.141 4.483 4.340 0.004 0.000 0.268 423 L C 1.877 178.658 176.870 -0.147 0.000 1.158 423 L CA 0.321 55.053 54.840 -0.181 0.000 0.819 423 L CB 0.528 42.470 42.059 -0.196 0.000 1.112 423 L HN 0.560 nan 8.230 nan 0.000 0.458 424 T N -2.446 112.044 114.554 -0.107 0.000 3.019 424 T HA 0.179 4.531 4.350 0.004 0.000 0.247 424 T C 0.684 175.335 174.700 -0.082 0.000 0.992 424 T CA -0.395 61.653 62.100 -0.088 0.000 1.036 424 T CB 0.297 69.129 68.868 -0.061 0.000 1.063 424 T HN 0.157 nan 8.240 nan 0.000 0.476 425 K N 1.939 122.303 120.400 -0.061 0.000 2.237 425 K HA 0.446 4.768 4.320 0.004 0.000 0.270 425 K C -0.493 176.040 176.600 -0.112 0.000 1.015 425 K CA -0.463 55.796 56.287 -0.048 0.000 0.949 425 K CB 0.692 33.193 32.500 0.001 0.000 0.976 425 K HN 0.215 nan 8.250 nan 0.000 0.472 426 L N 1.716 122.865 121.223 -0.123 0.000 2.334 426 L HA 0.307 4.649 4.340 0.004 0.000 0.276 426 L C 0.062 176.846 176.870 -0.144 0.000 1.014 426 L CA -0.378 54.264 54.840 -0.331 0.000 0.815 426 L CB 0.654 42.412 42.059 -0.502 0.000 1.268 426 L HN 0.823 nan 8.230 nan 0.000 0.428 427 W N 2.149 123.466 121.300 0.028 0.000 3.382 427 W HA -0.057 4.605 4.660 0.004 0.000 0.323 427 W C 0.975 177.531 176.519 0.061 0.000 1.237 427 W CA 0.526 57.902 57.345 0.051 0.000 0.652 427 W CB -1.714 27.716 29.460 -0.051 0.000 2.310 427 W HN 1.006 nan 8.180 nan 0.000 1.304 428 G N 0.813 109.715 108.800 0.171 0.000 3.436 428 G HA2 -0.046 3.916 3.960 0.004 0.000 0.685 428 G HA3 -0.046 3.916 3.960 0.004 0.000 0.685 428 G C -0.627 174.326 174.900 0.088 0.000 1.039 428 G CA -0.418 44.757 45.100 0.124 0.000 0.879 428 G HN 0.429 nan 8.290 nan 0.000 0.478 429 E N 1.738 121.969 120.200 0.051 0.000 2.227 429 E HA 0.412 4.764 4.350 0.004 0.000 0.282 429 E C 0.736 177.367 176.600 0.052 0.000 1.015 429 E CA -0.667 55.766 56.400 0.055 0.000 0.823 429 E CB 0.704 30.440 29.700 0.061 0.000 1.081 429 E HN 0.665 nan 8.360 nan 0.000 0.396 430 Q N 2.975 122.810 119.800 0.058 0.000 2.361 430 Q HA 0.141 4.483 4.340 0.004 0.000 0.276 430 Q C 0.077 176.120 176.000 0.072 0.000 1.022 430 Q CA -0.028 55.807 55.803 0.054 0.000 0.898 430 Q CB 0.700 29.463 28.738 0.042 0.000 1.246 430 Q HN 0.714 nan 8.270 nan 0.000 0.410 431 G N 1.446 110.291 108.800 0.075 0.000 2.664 431 G HA2 0.067 4.029 3.960 0.004 0.000 0.242 431 G HA3 0.067 4.029 3.960 0.004 0.000 0.242 431 G C 0.630 175.608 174.900 0.130 0.000 1.225 431 G CA 0.100 45.268 45.100 0.113 0.000 0.849 431 G HN 0.814 nan 8.290 nan 0.000 0.581 432 S N -0.630 115.172 115.700 0.170 0.000 2.506 432 S HA 0.050 4.523 4.470 0.004 0.000 0.219 432 S C 0.789 175.470 174.600 0.136 0.000 1.031 432 S CA -0.008 58.284 58.200 0.153 0.000 0.911 432 S CB -0.118 63.194 63.200 0.187 0.000 0.812 432 S HN 0.760 nan 8.310 nan 0.000 0.497 433 N N 1.388 120.187 118.700 0.165 0.000 2.487 433 N HA 0.257 5.000 4.740 0.004 0.000 0.292 433 N C -0.653 174.963 175.510 0.176 0.000 1.108 433 N CA -0.411 52.736 53.050 0.162 0.000 0.956 433 N CB 1.306 39.892 38.487 0.165 0.000 1.176 433 N HN -0.054 nan 8.380 nan 0.000 0.484 434 D N 0.195 120.698 120.400 0.172 0.000 2.240 434 D HA 0.007 4.649 4.640 0.004 0.000 0.206 434 D C -0.348 176.067 176.300 0.193 0.000 0.963 434 D CA 0.617 54.707 54.000 0.150 0.000 0.863 434 D CB 0.193 41.067 40.800 0.124 0.000 0.973 434 D HN 0.449 nan 8.370 nan 0.000 0.501 435 F N 1.234 121.270 119.950 0.143 0.000 2.404 435 F HA 0.403 4.932 4.527 0.004 0.000 0.359 435 F C -0.241 175.717 175.800 0.263 0.000 1.134 435 F CA -0.308 57.806 58.000 0.190 0.000 1.160 435 F CB 0.517 39.656 39.000 0.231 0.000 1.186 435 F HN -0.205 nan 8.300 nan 0.000 0.526 436 A N 4.311 127.278 122.820 0.245 0.000 2.530 436 A HA 0.709 5.031 4.320 0.004 0.000 0.297 436 A C -0.566 177.122 177.584 0.173 0.000 1.059 436 A CA 0.099 52.363 52.037 0.379 0.000 0.782 436 A CB 0.649 19.906 19.000 0.428 0.000 1.301 436 A HN 1.248 nan 8.150 nan 0.000 0.394 437 G N -0.102 108.824 108.800 0.211 0.000 2.360 437 G HA2 0.841 4.803 3.960 0.004 0.000 0.276 437 G HA3 0.841 4.803 3.960 0.004 0.000 0.276 437 G C -0.170 174.831 174.900 0.167 0.000 1.256 437 G CA 0.455 45.641 45.100 0.143 0.000 0.890 437 G HN 2.534 nan 8.290 nan 0.000 0.486 438 G N -2.109 106.766 108.800 0.124 0.000 2.387 438 G HA2 0.625 4.588 3.960 0.004 0.000 0.294 438 G HA3 0.625 4.588 3.960 0.004 0.000 0.294 438 G C -1.727 173.236 174.900 0.106 0.000 1.509 438 G CA 0.413 45.590 45.100 0.129 0.000 0.806 438 G HN 1.769 nan 8.290 nan 0.000 0.546 439 V N -0.115 119.856 119.914 0.095 0.000 2.612 439 V HA 0.906 5.028 4.120 0.004 0.000 0.301 439 V C -0.069 176.039 176.094 0.022 0.000 1.046 439 V CA 0.167 62.519 62.300 0.086 0.000 0.946 439 V CB 1.734 33.628 31.823 0.118 0.000 1.003 439 V HN 1.567 nan 8.190 nan 0.000 0.459 440 S N 2.864 118.565 115.700 0.000 0.000 2.533 440 S HA 0.448 4.920 4.470 0.004 0.000 0.271 440 S C -0.567 173.914 174.600 -0.198 0.000 1.143 440 S CA -0.079 58.071 58.200 -0.084 0.000 0.891 440 S CB 1.821 65.072 63.200 0.085 0.000 1.105 440 S HN 1.018 nan 8.310 nan 0.000 0.468 441 D N 2.097 122.242 120.400 -0.425 0.000 2.440 441 D HA 0.283 4.925 4.640 0.004 0.000 0.216 441 D C 1.259 177.389 176.300 -0.284 0.000 1.150 441 D CA 0.581 54.218 54.000 -0.605 0.000 0.832 441 D CB -0.032 39.939 40.800 -1.381 0.000 0.992 441 D HN 1.181 nan 8.370 nan 0.000 0.502 442 G N -0.590 108.078 108.800 -0.219 0.000 2.217 442 G HA2 -0.310 3.652 3.960 0.004 0.000 0.246 442 G HA3 -0.310 3.652 3.960 0.004 0.000 0.246 442 G C 0.796 175.496 174.900 -0.332 0.000 0.990 442 G CA 0.385 45.335 45.100 -0.250 0.000 0.627 442 G HN 0.391 nan 8.290 nan 0.000 0.522 443 V N -1.663 118.065 119.914 -0.310 0.000 3.141 443 V HA 0.409 4.531 4.120 0.004 0.000 0.225 443 V C 0.680 176.461 176.094 -0.522 0.000 1.352 443 V CA 0.866 62.920 62.300 -0.410 0.000 1.316 443 V CB 0.104 31.681 31.823 -0.409 0.000 1.126 443 V HN 0.277 nan 8.190 nan 0.000 0.493 444 Y N -0.088 120.005 120.300 -0.346 0.000 2.587 444 Y HA 0.836 5.388 4.550 0.004 0.000 0.337 444 Y C 0.577 175.985 175.900 -0.820 0.000 1.065 444 Y CA -0.012 57.816 58.100 -0.453 0.000 1.126 444 Y CB 2.057 40.304 38.460 -0.355 0.000 1.279 444 Y HN 0.227 nan 8.280 nan 0.000 0.489 445 G N -0.440 107.940 108.800 -0.700 0.000 2.328 445 G HA2 0.581 4.543 3.960 0.004 0.000 0.295 445 G HA3 0.581 4.543 3.960 0.004 0.000 0.295 445 G C -2.285 172.473 174.900 -0.237 0.000 1.413 445 G CA -0.255 44.473 45.100 -0.619 0.000 0.817 445 G HN 0.857 nan 8.290 nan 0.000 0.546 446 A N -0.425 122.373 122.820 -0.036 0.000 2.486 446 A HA 0.940 5.262 4.320 0.004 0.000 0.300 446 A C -0.319 177.330 177.584 0.109 0.000 1.048 446 A CA -0.194 51.854 52.037 0.018 0.000 0.696 446 A CB 1.809 20.690 19.000 -0.198 0.000 1.278 446 A HN 1.489 nan 8.150 nan 0.000 0.405 447 S N -0.482 115.365 115.700 0.244 0.000 2.599 447 S HA 0.939 5.411 4.470 0.004 0.000 0.294 447 S C -0.318 174.519 174.600 0.395 0.000 1.094 447 S CA 0.009 58.416 58.200 0.346 0.000 0.931 447 S CB 1.908 65.380 63.200 0.453 0.000 1.093 447 S HN 1.891 nan 8.310 nan 0.000 0.488 448 A N 1.282 124.385 122.820 0.471 0.000 2.587 448 A HA 0.808 5.130 4.320 0.004 0.000 0.293 448 A C -2.218 175.815 177.584 0.749 0.000 1.087 448 A CA -0.545 51.799 52.037 0.512 0.000 0.692 448 A CB 1.452 20.678 19.000 0.378 0.000 1.291 448 A HN 0.850 nan 8.150 nan 0.000 0.407 449 Y N 0.790 121.415 120.300 0.541 0.000 2.362 449 Y HA 0.588 5.140 4.550 0.003 0.000 0.326 449 Y C -0.428 175.686 175.900 0.356 0.000 1.083 449 Y CA -0.735 57.669 58.100 0.506 0.000 1.073 449 Y CB 1.575 40.386 38.460 0.584 0.000 1.211 449 Y HN 1.096 nan 8.280 nan 0.000 0.433 450 A N 7.313 130.120 122.820 -0.021 0.000 2.774 450 A HA 0.482 4.804 4.320 0.004 0.000 0.326 450 A C -0.928 176.325 177.584 -0.553 0.000 1.478 450 A CA -0.558 51.333 52.037 -0.244 0.000 1.099 450 A CB -0.639 18.338 19.000 -0.038 0.000 1.148 450 A HN 0.778 nan 8.150 nan 0.000 0.519 451 L N 1.723 122.485 121.223 -0.768 0.000 2.456 451 L HA 0.466 4.808 4.340 0.004 0.000 0.272 451 L C -0.399 176.381 176.870 -0.150 0.000 1.189 451 L CA 0.791 55.295 54.840 -0.560 0.000 0.846 451 L CB 0.695 42.614 42.059 -0.232 0.000 1.111 451 L HN 0.568 nan 8.230 nan 0.000 0.475 452 D N 3.472 123.888 120.400 0.027 0.000 2.362 452 D HA 0.228 4.870 4.640 0.004 0.000 0.232 452 D C -2.117 174.333 176.300 0.249 0.000 1.329 452 D CA -0.131 53.925 54.000 0.093 0.000 0.944 452 D CB 0.022 40.856 40.800 0.057 0.000 1.471 452 D HN 0.433 nan 8.370 nan 0.000 0.533 453 Y N 1.733 122.094 120.300 0.102 0.000 2.521 453 Y HA 0.323 4.874 4.550 0.003 0.000 0.332 453 Y C -0.723 175.277 175.900 0.167 0.000 1.121 453 Y CA -0.853 57.337 58.100 0.151 0.000 1.037 453 Y CB 1.447 40.041 38.460 0.223 0.000 1.330 453 Y HN 0.120 nan 8.280 nan 0.000 0.452 454 D N 3.522 123.640 120.400 -0.471 0.000 2.689 454 D HA -0.200 4.442 4.640 0.004 0.000 0.237 454 D C 0.215 176.492 176.300 -0.037 0.000 1.148 454 D CA 1.852 55.703 54.000 -0.247 0.000 0.656 454 D CB -1.216 39.565 40.800 -0.032 0.000 1.050 454 D HN 0.705 nan 8.370 nan 0.000 0.426 455 S N -2.084 113.592 115.700 -0.039 0.000 3.587 455 S HA -0.240 4.232 4.470 0.004 0.000 0.337 455 S C -0.085 174.516 174.600 0.001 0.000 1.119 455 S CA 0.841 59.034 58.200 -0.012 0.000 0.976 455 S CB -0.753 62.439 63.200 -0.012 0.000 0.922 455 S HN 0.558 nan 8.310 nan 0.000 0.503 456 L N 1.026 122.265 121.223 0.027 0.000 2.438 456 L HA 0.743 5.085 4.340 0.004 0.000 0.270 456 L C -0.789 176.098 176.870 0.028 0.000 0.972 456 L CA -0.093 54.760 54.840 0.022 0.000 0.831 456 L CB 1.867 43.949 42.059 0.038 0.000 1.273 456 L HN 0.079 nan 8.230 nan 0.000 0.405 457 Q N 3.488 123.278 119.800 -0.017 0.000 2.387 457 Q HA 1.001 5.343 4.340 0.004 0.000 0.273 457 Q C -1.193 174.757 176.000 -0.084 0.000 1.089 457 Q CA -0.283 55.491 55.803 -0.048 0.000 0.824 457 Q CB 2.428 31.127 28.738 -0.066 0.000 1.367 457 Q HN 0.953 nan 8.270 nan 0.000 0.443 458 A N 1.047 123.791 122.820 -0.126 0.000 2.590 458 A HA 0.654 4.977 4.320 0.004 0.000 0.294 458 A C -1.750 175.701 177.584 -0.221 0.000 1.046 458 A CA -0.939 51.007 52.037 -0.152 0.000 0.684 458 A CB 1.194 20.154 19.000 -0.066 0.000 1.279 458 A HN 0.334 nan 8.150 nan 0.000 0.415 459 K N 1.752 121.989 120.400 -0.272 0.000 2.367 459 K HA 0.463 4.785 4.320 0.004 0.000 0.263 459 K C -0.978 175.500 176.600 -0.202 0.000 1.000 459 K CA -0.129 55.959 56.287 -0.332 0.000 0.891 459 K CB 1.404 33.530 32.500 -0.623 0.000 1.117 459 K HN 0.635 nan 8.250 nan 0.000 0.443 460 K N 1.264 121.604 120.400 -0.101 0.000 2.221 460 K HA 0.716 5.039 4.320 0.004 0.000 0.258 460 K C -0.714 175.590 176.600 -0.493 0.000 0.944 460 K CA -0.694 55.443 56.287 -0.250 0.000 0.823 460 K CB 2.113 34.587 32.500 -0.044 0.000 1.113 460 K HN 0.605 nan 8.250 nan 0.000 0.431 461 A N 2.672 125.050 122.820 -0.737 0.000 2.515 461 A HA 0.747 5.069 4.320 0.004 0.000 0.296 461 A C -1.792 175.214 177.584 -0.964 0.000 1.094 461 A CA -0.770 50.876 52.037 -0.653 0.000 0.718 461 A CB 1.270 20.112 19.000 -0.263 0.000 1.307 461 A HN 0.680 nan 8.150 nan 0.000 0.408 462 W N 0.971 122.036 121.300 -0.393 0.000 2.900 462 W HA 0.529 5.192 4.660 0.006 0.000 0.336 462 W C -2.043 173.952 176.519 -0.873 0.000 1.064 462 W CA -0.618 56.410 57.345 -0.530 0.000 1.237 462 W CB 1.774 30.932 29.460 -0.504 0.000 1.391 462 W HN 0.537 nan 8.180 nan 0.000 0.468 463 F N 3.000 122.762 119.950 -0.314 0.000 2.375 463 F HA 0.390 4.921 4.527 0.008 0.000 0.361 463 F C -0.333 175.133 175.800 -0.558 0.000 1.117 463 F CA -0.949 56.881 58.000 -0.284 0.000 1.037 463 F CB 0.393 39.351 39.000 -0.069 0.000 1.192 463 F HN -0.019 nan 8.300 nan 0.000 0.452 464 F N 3.955 123.594 119.950 -0.518 0.000 2.411 464 F HA 0.542 5.072 4.527 0.005 0.000 0.355 464 F C -0.129 175.254 175.800 -0.694 0.000 1.117 464 F CA -0.790 56.801 58.000 -0.682 0.000 1.139 464 F CB 0.291 38.661 39.000 -1.051 0.000 1.120 464 F HN 0.282 nan 8.300 nan 0.000 0.493 465 F N 0.673 120.752 119.950 0.214 0.000 2.977 465 F HA 0.363 4.894 4.527 0.006 0.000 0.317 465 F C 1.301 177.371 175.800 0.450 0.000 1.425 465 F CA -0.611 57.606 58.000 0.363 0.000 1.038 465 F CB 0.299 39.422 39.000 0.204 0.000 1.797 465 F HN 0.219 nan 8.300 nan 0.000 0.442 466 D N -0.195 120.557 120.400 0.587 0.000 2.320 466 D HA 0.031 4.673 4.640 0.004 0.000 0.228 466 D C 1.541 178.088 176.300 0.412 0.000 0.978 466 D CA 1.053 55.304 54.000 0.417 0.000 0.905 466 D CB -0.143 40.827 40.800 0.283 0.000 1.051 466 D HN 0.321 nan 8.370 nan 0.000 0.471 467 K N 0.538 121.124 120.400 0.310 0.000 2.418 467 K HA 0.007 4.329 4.320 0.004 0.000 0.195 467 K C 0.707 177.371 176.600 0.108 0.000 1.035 467 K CA 0.531 56.933 56.287 0.191 0.000 1.003 467 K CB 0.525 33.097 32.500 0.120 0.000 0.793 467 K HN 0.281 nan 8.250 nan 0.000 0.494 468 E N 0.388 120.715 120.200 0.212 0.000 2.423 468 E HA 0.269 4.621 4.350 0.004 0.000 0.280 468 E C -1.324 175.374 176.600 0.163 0.000 1.030 468 E CA -0.857 55.606 56.400 0.106 0.000 0.812 468 E CB 1.025 30.783 29.700 0.096 0.000 1.313 468 E HN -0.139 nan 8.360 nan 0.000 0.456 469 I N 0.817 121.355 120.570 -0.054 0.000 2.439 469 I HA 0.235 4.407 4.170 0.004 0.000 0.285 469 I C -0.526 175.505 176.117 -0.143 0.000 1.021 469 I CA -0.800 60.330 61.300 -0.284 0.000 1.091 469 I CB 1.960 39.388 38.000 -0.953 0.000 1.242 469 I HN 0.333 nan 8.210 nan 0.000 0.439 470 V N 5.250 125.182 119.914 0.030 0.000 2.432 470 V HA 0.242 4.364 4.120 0.004 0.000 0.271 470 V C -0.295 175.804 176.094 0.009 0.000 1.046 470 V CA -0.334 62.005 62.300 0.065 0.000 0.945 470 V CB 0.913 32.834 31.823 0.164 0.000 0.992 470 V HN 0.812 nan 8.190 nan 0.000 0.471 471 C N 7.223 126.391 119.300 -0.220 0.000 2.264 471 C HA 0.686 5.148 4.460 0.004 0.000 0.324 471 C C 0.041 174.927 174.990 -0.173 0.000 1.267 471 C CA -0.920 57.889 59.018 -0.349 0.000 1.618 471 C CB -0.461 26.808 27.740 -0.785 0.000 2.278 471 C HN 0.713 nan 8.230 nan 0.000 0.499 472 L N 2.852 124.000 121.223 -0.124 0.000 2.354 472 L HA 0.886 5.228 4.340 0.004 0.000 0.269 472 L C 0.414 176.875 176.870 -0.682 0.000 1.005 472 L CA -0.198 54.494 54.840 -0.246 0.000 0.819 472 L CB 1.922 43.930 42.059 -0.084 0.000 1.311 472 L HN 0.825 nan 8.230 nan 0.000 0.423 473 G N 0.937 108.960 108.800 -1.296 0.000 2.662 473 G HA2 0.810 4.772 3.960 0.004 0.000 0.302 473 G HA3 0.810 4.772 3.960 0.004 0.000 0.302 473 G C -1.586 172.921 174.900 -0.655 0.000 1.389 473 G CA -0.288 44.029 45.100 -1.305 0.000 0.998 473 G HN 0.812 nan 8.290 nan 0.000 0.502 474 A N 0.149 122.728 122.820 -0.401 0.000 2.593 474 A HA 0.887 5.209 4.320 0.004 0.000 0.290 474 A C 0.747 178.180 177.584 -0.253 0.000 1.126 474 A CA 0.188 52.061 52.037 -0.274 0.000 0.695 474 A CB 1.008 19.877 19.000 -0.217 0.000 1.290 474 A HN 2.588 nan 8.150 nan 0.000 0.414 475 G N -0.271 108.407 108.800 -0.204 0.000 2.283 475 G HA2 -0.190 3.772 3.960 0.004 0.000 0.280 475 G HA3 -0.190 3.772 3.960 0.004 0.000 0.280 475 G C 0.036 174.831 174.900 -0.176 0.000 1.029 475 G CA 0.561 45.547 45.100 -0.190 0.000 0.840 475 G HN 0.993 nan 8.290 nan 0.000 0.505 476 I N 1.126 121.589 120.570 -0.179 0.000 2.421 476 I HA 0.189 4.362 4.170 0.004 0.000 0.291 476 I C 0.203 176.243 176.117 -0.129 0.000 1.089 476 I CA -0.125 61.069 61.300 -0.177 0.000 1.354 476 I CB 0.230 38.054 38.000 -0.293 0.000 1.413 476 I HN 0.115 nan 8.210 nan 0.000 0.513 477 N N 4.544 123.185 118.700 -0.099 0.000 2.284 477 N HA 0.548 5.290 4.740 0.004 0.000 0.289 477 N C -1.249 174.230 175.510 -0.051 0.000 1.179 477 N CA -0.595 52.413 53.050 -0.070 0.000 0.774 477 N CB 2.471 40.918 38.487 -0.065 0.000 1.548 477 N HN 0.463 nan 8.380 nan 0.000 0.473 478 S N 0.318 115.994 115.700 -0.040 0.000 2.560 478 S HA 0.230 4.702 4.470 0.004 0.000 0.283 478 S C -1.225 173.359 174.600 -0.028 0.000 1.141 478 S CA -0.731 57.449 58.200 -0.032 0.000 0.902 478 S CB 0.379 63.557 63.200 -0.036 0.000 1.104 478 S HN 0.662 nan 8.310 nan 0.000 0.454 479 N N 2.340 121.027 118.700 -0.023 0.000 2.273 479 N HA 0.399 5.141 4.740 0.004 0.000 0.231 479 N C 0.116 175.616 175.510 -0.017 0.000 1.134 479 N CA -0.031 53.008 53.050 -0.019 0.000 0.856 479 N CB 0.644 39.122 38.487 -0.015 0.000 1.068 479 N HN 0.606 nan 8.380 nan 0.000 0.510 480 A N 1.359 124.165 122.820 -0.023 0.000 2.257 480 A HA 0.539 4.861 4.320 0.004 0.000 0.289 480 A C -1.237 176.328 177.584 -0.032 0.000 1.095 480 A CA -1.278 50.745 52.037 -0.024 0.000 0.836 480 A CB 0.895 19.875 19.000 -0.033 0.000 1.111 480 A HN 0.116 nan 8.150 nan 0.000 0.497 481 P HA 0.023 nan 4.420 nan 0.000 0.219 481 P C 0.015 177.282 177.300 -0.054 0.000 1.154 481 P CA 0.575 63.656 63.100 -0.031 0.000 0.826 481 P CB 0.018 31.710 31.700 -0.013 0.000 0.795 482 E N 1.238 121.381 120.200 -0.095 0.000 2.436 482 E HA 0.044 4.396 4.350 0.004 0.000 0.262 482 E C 0.546 177.074 176.600 -0.120 0.000 1.063 482 E CA 0.022 56.336 56.400 -0.144 0.000 0.944 482 E CB -0.279 29.236 29.700 -0.308 0.000 0.950 482 E HN 0.109 nan 8.360 nan 0.000 0.444 483 N N 1.308 119.945 118.700 -0.104 0.000 2.482 483 N HA 0.027 4.770 4.740 0.004 0.000 0.260 483 N C -0.996 174.466 175.510 -0.081 0.000 1.236 483 N CA -0.124 52.888 53.050 -0.062 0.000 0.938 483 N CB 0.406 38.871 38.487 -0.037 0.000 1.128 483 N HN 0.253 nan 8.380 nan 0.000 0.448 484 I N 1.904 122.467 120.570 -0.011 0.000 2.377 484 I HA 0.292 4.464 4.170 0.004 0.000 0.293 484 I C 0.403 176.593 176.117 0.122 0.000 0.987 484 I CA -0.373 60.943 61.300 0.027 0.000 1.185 484 I CB 0.445 38.486 38.000 0.070 0.000 1.341 484 I HN 0.738 nan 8.210 nan 0.000 0.455 485 T N 1.308 115.904 114.554 0.070 0.000 2.916 485 T HA 0.683 5.035 4.350 0.004 0.000 0.292 485 T C -0.292 174.475 174.700 0.111 0.000 1.055 485 T CA -0.649 61.494 62.100 0.072 0.000 1.009 485 T CB 2.067 70.883 68.868 -0.086 0.000 1.118 485 T HN 0.447 nan 8.240 nan 0.000 0.497 486 T N 2.249 116.854 114.554 0.086 0.000 2.864 486 T HA 0.487 4.839 4.350 0.004 0.000 0.299 486 T C -0.390 174.295 174.700 -0.025 0.000 1.011 486 T CA -0.476 61.651 62.100 0.046 0.000 0.975 486 T CB 1.184 70.052 68.868 -0.000 0.000 0.962 486 T HN 0.783 nan 8.240 nan 0.000 0.448 487 T N 4.526 119.059 114.554 -0.034 0.000 2.780 487 T HA 0.226 4.578 4.350 0.004 0.000 0.294 487 T C 1.286 175.951 174.700 -0.058 0.000 0.949 487 T CA -0.485 61.591 62.100 -0.039 0.000 1.074 487 T CB 0.748 69.540 68.868 -0.126 0.000 0.910 487 T HN 0.258 nan 8.240 nan 0.000 0.501 488 L N 3.043 124.174 121.223 -0.152 0.000 2.131 488 L HA 0.282 4.624 4.340 0.004 0.000 0.206 488 L C 1.171 178.098 176.870 0.094 0.000 1.087 488 L CA 1.108 55.829 54.840 -0.198 0.000 0.767 488 L CB -0.195 41.606 42.059 -0.430 0.000 0.917 488 L HN 0.524 nan 8.230 nan 0.000 0.441 489 N N -1.357 117.358 118.700 0.026 0.000 3.127 489 N HA 0.211 4.953 4.740 0.004 0.000 0.239 489 N C -1.689 173.849 175.510 0.047 0.000 1.407 489 N CA -0.508 52.648 53.050 0.178 0.000 0.891 489 N CB 1.201 39.943 38.487 0.425 0.000 1.447 489 N HN -0.031 nan 8.380 nan 0.000 0.507 490 Q N 1.454 121.378 119.800 0.206 0.000 3.660 490 Q HA 0.372 4.714 4.340 0.004 0.000 0.194 490 Q C -1.592 174.637 176.000 0.381 0.000 0.872 490 Q CA -0.311 55.577 55.803 0.142 0.000 0.756 490 Q CB 0.120 28.801 28.738 -0.095 0.000 1.443 490 Q HN 0.715 nan 8.270 nan 0.000 0.460 491 S N 0.252 116.124 115.700 0.286 0.000 2.751 491 S HA 0.648 5.120 4.470 0.004 0.000 0.310 491 S C -0.523 174.133 174.600 0.093 0.000 1.128 491 S CA -0.840 57.395 58.200 0.057 0.000 0.931 491 S CB 0.722 63.888 63.200 -0.056 0.000 1.177 491 S HN 0.466 nan 8.310 nan 0.000 0.530 492 W N 0.661 122.013 121.300 0.087 0.000 2.210 492 W HA 0.380 5.042 4.660 0.004 0.000 0.330 492 W C 0.357 176.998 176.519 0.204 0.000 1.334 492 W CA -0.605 56.801 57.345 0.102 0.000 1.227 492 W CB 0.373 29.850 29.460 0.028 0.000 1.178 492 W HN 0.512 nan 8.180 nan 0.000 0.560 493 L N 4.296 125.814 121.223 0.491 0.000 2.453 493 L HA 0.076 4.418 4.340 0.004 0.000 0.272 493 L C -0.227 176.872 176.870 0.381 0.000 1.182 493 L CA 0.639 55.729 54.840 0.416 0.000 0.858 493 L CB 0.102 42.333 42.059 0.286 0.000 1.120 493 L HN 0.491 nan 8.230 nan 0.000 0.474 494 N N 3.441 122.412 118.700 0.451 0.000 2.732 494 N HA 0.582 5.324 4.740 0.004 0.000 0.247 494 N C -0.572 174.973 175.510 0.059 0.000 1.305 494 N CA 0.603 53.737 53.050 0.142 0.000 0.762 494 N CB 0.756 39.248 38.487 0.010 0.000 1.361 494 N HN 1.043 nan 8.380 nan 0.000 0.545 495 G N 2.488 111.348 108.800 0.100 0.000 2.710 495 G HA2 -0.138 3.824 3.960 0.004 0.000 0.668 495 G HA3 -0.138 3.824 3.960 0.004 0.000 0.668 495 G C -2.842 172.144 174.900 0.144 0.000 1.320 495 G CA -0.721 44.424 45.100 0.075 0.000 0.860 495 G HN 0.454 nan 8.290 nan 0.000 0.538 496 P HA 0.482 nan 4.420 nan 0.000 0.274 496 P C -0.279 177.126 177.300 0.175 0.000 1.237 496 P CA -0.251 62.926 63.100 0.129 0.000 0.793 496 P CB 1.343 33.097 31.700 0.091 0.000 0.977 497 V N 3.925 123.940 119.914 0.167 0.000 2.328 497 V HA 0.292 4.414 4.120 0.004 0.000 0.278 497 V C 0.645 176.837 176.094 0.163 0.000 1.021 497 V CA -0.461 61.952 62.300 0.189 0.000 0.838 497 V CB 0.579 32.519 31.823 0.195 0.000 0.999 497 V HN 0.387 nan 8.190 nan 0.000 0.447 498 I N 4.821 125.509 120.570 0.197 0.000 2.437 498 I HA 0.640 4.812 4.170 0.004 0.000 0.298 498 I C 0.488 176.688 176.117 0.137 0.000 0.984 498 I CA 0.151 61.562 61.300 0.185 0.000 1.214 498 I CB 1.986 40.150 38.000 0.273 0.000 1.365 498 I HN 0.777 nan 8.210 nan 0.000 0.469 499 S N 2.198 117.802 115.700 -0.161 0.000 2.840 499 S HA 0.634 5.106 4.470 0.004 0.000 0.307 499 S C -0.058 173.870 174.600 -1.121 0.000 1.180 499 S CA -0.572 57.221 58.200 -0.678 0.000 0.846 499 S CB 1.034 64.098 63.200 -0.227 0.000 1.233 499 S HN 0.758 nan 8.310 nan 0.000 0.548 500 T N 0.688 114.465 114.554 -1.294 0.000 2.734 500 T HA 0.515 4.867 4.350 0.004 0.000 0.269 500 T C 0.819 175.355 174.700 -0.273 0.000 0.964 500 T CA 0.457 62.092 62.100 -0.775 0.000 1.226 500 T CB -1.840 nan 68.868 nan 0.000 0.910 500 T HN 2.289 nan 8.240 nan 0.000 0.534 501 A N 2.395 125.108 122.820 -0.179 0.000 1.900 501 A HA 0.423 4.745 4.320 0.004 0.000 0.251 501 A C 1.052 178.582 177.584 -0.091 0.000 1.334 501 A CA 0.982 52.976 52.037 -0.072 0.000 0.728 501 A CB -1.292 nan 19.000 nan 0.000 1.197 501 A HN 2.937 nan 8.150 nan 0.000 0.278 502 G N -0.819 107.936 108.800 -0.075 0.000 2.226 502 G HA2 0.729 4.691 3.960 0.004 0.000 0.257 502 G HA3 0.729 4.691 3.960 0.004 0.000 0.257 502 G C -0.986 173.892 174.900 -0.035 0.000 1.732 502 G CA 0.305 45.363 45.100 -0.069 0.000 0.914 502 G HN 2.188 nan 8.290 nan 0.000 0.742 503 K N 0.410 120.804 120.400 -0.010 0.000 2.244 503 K HA 0.933 5.255 4.320 0.004 0.000 0.260 503 K C -0.064 176.549 176.600 0.021 0.000 0.951 503 K CA -0.447 55.854 56.287 0.023 0.000 0.826 503 K CB 1.853 nan 32.500 nan 0.000 1.108 503 K HN 0.975 nan 8.250 nan 0.000 0.433 504 T N 1.540 116.122 114.554 0.048 0.000 2.779 504 T HA 0.624 4.976 4.350 0.004 0.000 0.280 504 T C 0.605 175.346 174.700 0.069 0.000 0.987 504 T CA -0.158 61.971 62.100 0.049 0.000 0.966 504 T CB 1.473 70.380 68.868 0.066 0.000 0.933 504 T HN 0.868 nan 8.240 nan 0.000 0.442 505 G N 1.452 110.285 108.800 0.055 0.000 2.557 505 G HA2 0.525 4.487 3.960 0.004 0.000 0.302 505 G HA3 0.525 4.487 3.960 0.004 0.000 0.302 505 G C -0.150 174.791 174.900 0.069 0.000 1.311 505 G CA -0.862 44.275 45.100 0.063 0.000 1.030 505 G HN 0.718 nan 8.290 nan 0.000 0.509 506 R N -0.827 119.716 120.500 0.072 0.000 2.756 506 R HA 0.282 4.624 4.340 0.004 0.000 0.264 506 R C 1.221 177.558 176.300 0.063 0.000 1.026 506 R CA 1.165 57.311 56.100 0.076 0.000 1.121 506 R CB -0.172 30.172 30.300 0.072 0.000 0.999 506 R HN 1.388 nan 8.270 nan 0.000 0.449 507 G N 0.536 109.377 108.800 0.068 0.000 2.225 507 G HA2 -0.313 3.649 3.960 0.004 0.000 0.267 507 G HA3 -0.313 3.649 3.960 0.004 0.000 0.267 507 G C -0.132 174.795 174.900 0.045 0.000 1.024 507 G CA 0.885 46.018 45.100 0.056 0.000 0.784 507 G HN 0.878 nan 8.290 nan 0.000 0.507 508 K N -0.559 119.868 120.400 0.045 0.000 2.295 508 K HA 0.923 5.245 4.320 0.004 0.000 0.239 508 K C -0.446 176.169 176.600 0.026 0.000 0.991 508 K CA -0.503 55.803 56.287 0.031 0.000 0.845 508 K CB 2.347 34.862 32.500 0.025 0.000 1.197 508 K HN 1.077 nan 8.250 nan 0.000 0.441 509 I N 1.451 122.028 120.570 0.013 0.000 2.571 509 I HA 0.650 4.822 4.170 0.004 0.000 0.289 509 I C -1.277 174.828 176.117 -0.021 0.000 1.115 509 I CA -0.101 61.197 61.300 -0.003 0.000 1.045 509 I CB 1.792 39.806 38.000 0.023 0.000 1.238 509 I HN 0.793 nan 8.210 nan 0.000 0.424 510 T N 5.386 119.913 114.554 -0.045 0.000 2.952 510 T HA 0.639 4.991 4.350 0.004 0.000 0.305 510 T C -1.050 173.624 174.700 -0.043 0.000 1.064 510 T CA -0.097 61.997 62.100 -0.009 0.000 1.008 510 T CB 1.099 69.991 68.868 0.040 0.000 1.078 510 T HN 0.670 nan 8.240 nan 0.000 0.459 511 T N 5.610 120.139 114.554 -0.043 0.000 2.809 511 T HA 0.755 5.107 4.350 0.004 0.000 0.284 511 T C -1.100 173.564 174.700 -0.060 0.000 0.992 511 T CA -0.480 61.508 62.100 -0.188 0.000 0.957 511 T CB 0.165 68.910 68.868 -0.204 0.000 0.942 511 T HN 0.571 nan 8.240 nan 0.000 0.439 512 F N -0.194 119.569 119.950 -0.313 0.000 2.668 512 F HA 0.670 5.198 4.527 0.002 0.000 0.309 512 F C -0.817 174.772 175.800 -0.351 0.000 1.117 512 F CA -1.541 56.275 58.000 -0.307 0.000 0.951 512 F CB 1.628 40.430 39.000 -0.330 0.000 1.323 512 F HN 0.293 nan 8.300 nan 0.000 0.451 513 K N 2.392 122.676 120.400 -0.193 0.000 2.263 513 K HA 0.711 5.033 4.320 0.004 0.000 0.282 513 K C -0.390 176.070 176.600 -0.235 0.000 1.089 513 K CA -0.382 55.746 56.287 -0.264 0.000 0.907 513 K CB 0.675 33.077 32.500 -0.163 0.000 1.148 513 K HN 0.934 nan 8.250 nan 0.000 0.470 514 A N 4.276 126.845 122.820 -0.419 0.000 2.440 514 A HA 0.157 4.479 4.320 0.004 0.000 0.251 514 A C -0.165 177.290 177.584 -0.216 0.000 1.089 514 A CA -0.424 51.349 52.037 -0.439 0.000 0.779 514 A CB 0.445 19.053 19.000 -0.653 0.000 1.022 514 A HN 0.730 nan 8.150 nan 0.000 0.492 515 Q N 0.728 120.451 119.800 -0.128 0.000 2.237 515 Q HA 0.408 4.750 4.340 0.004 0.000 0.219 515 Q C 0.775 176.812 176.000 0.061 0.000 0.999 515 Q CA 0.080 55.868 55.803 -0.024 0.000 0.959 515 Q CB 0.476 29.208 28.738 -0.011 0.000 1.173 515 Q HN 0.899 nan 8.270 nan 0.000 0.527 516 G N 0.317 109.151 108.800 0.057 0.000 2.391 516 G HA2 0.025 3.987 3.960 0.004 0.000 0.234 516 G HA3 0.025 3.987 3.960 0.004 0.000 0.234 516 G C -0.108 174.851 174.900 0.097 0.000 1.284 516 G CA 0.090 45.233 45.100 0.071 0.000 0.873 516 G HN 0.712 nan 8.290 nan 0.000 0.549 517 Q N -0.948 118.860 119.800 0.013 0.000 2.460 517 Q HA -0.246 4.097 4.340 0.004 0.000 0.248 517 Q C 0.246 176.355 176.000 0.181 0.000 0.847 517 Q CA 0.612 56.397 55.803 -0.031 0.000 1.214 517 Q CB -1.832 27.037 28.738 0.217 0.000 1.523 517 Q HN 0.563 nan 8.270 nan 0.000 0.602 518 F N 2.074 122.069 119.950 0.076 0.000 2.496 518 F HA 0.359 4.887 4.527 0.001 0.000 0.344 518 F C 0.263 176.306 175.800 0.406 0.000 1.155 518 F CA 0.130 58.208 58.000 0.130 0.000 1.302 518 F CB 0.526 39.541 39.000 0.026 0.000 1.159 518 F HN 0.145 nan 8.300 nan 0.000 0.595 519 W N 6.150 126.981 121.300 -0.781 0.000 3.217 519 W HA 0.660 5.320 4.660 0.000 0.000 0.323 519 W C -2.666 173.542 176.519 -0.519 0.000 1.216 519 W CA -1.341 55.814 57.345 -0.317 0.000 1.194 519 W CB 0.722 30.230 29.460 0.080 0.000 1.397 519 W HN 0.527 nan 8.180 nan 0.000 0.537 520 L N 3.149 124.584 121.223 0.354 0.000 2.370 520 L HA 0.680 5.023 4.340 0.004 0.000 0.266 520 L C -1.148 176.104 176.870 0.636 0.000 1.002 520 L CA -1.160 53.917 54.840 0.394 0.000 0.818 520 L CB 2.255 44.579 42.059 0.442 0.000 1.325 520 L HN 0.371 nan 8.230 nan 0.000 0.418 521 L N 2.802 124.341 121.223 0.527 0.000 2.409 521 L HA 0.579 4.921 4.340 0.004 0.000 0.272 521 L C -1.264 175.781 176.870 0.293 0.000 0.980 521 L CA 0.024 55.094 54.840 0.384 0.000 0.826 521 L CB 1.469 43.713 42.059 0.308 0.000 1.268 521 L HN 0.605 nan 8.230 nan 0.000 0.407 522 H N 4.305 123.415 119.070 0.066 0.000 3.026 522 H HA 0.240 4.798 4.556 0.003 0.000 0.352 522 H C -0.856 174.385 175.328 -0.145 0.000 1.090 522 H CA -0.250 55.709 56.048 -0.150 0.000 1.268 522 H CB 1.713 31.095 29.762 -0.634 0.000 1.816 522 H HN 0.774 nan 8.280 nan 0.000 0.518 523 D N 4.143 124.097 120.400 -0.744 0.000 2.708 523 D HA -0.228 4.414 4.640 0.004 0.000 0.236 523 D C 0.864 177.017 176.300 -0.245 0.000 1.146 523 D CA 1.949 55.617 54.000 -0.554 0.000 0.662 523 D CB -1.425 38.930 40.800 -0.742 0.000 1.059 523 D HN 1.102 nan 8.370 nan 0.000 0.428 524 A N -1.500 121.223 122.820 -0.162 0.000 3.172 524 A HA -0.285 4.037 4.320 0.004 0.000 0.263 524 A C 0.702 178.220 177.584 -0.110 0.000 1.215 524 A CA 1.270 53.246 52.037 -0.102 0.000 1.065 524 A CB -2.044 16.913 19.000 -0.072 0.000 1.148 524 A HN 0.567 nan 8.150 nan 0.000 0.904 525 I N 0.379 120.876 120.570 -0.122 0.000 2.339 525 I HA 0.551 4.723 4.170 0.004 0.000 0.290 525 I C 0.934 176.891 176.117 -0.267 0.000 0.994 525 I CA -0.059 61.116 61.300 -0.209 0.000 1.191 525 I CB 1.772 39.651 38.000 -0.202 0.000 1.343 525 I HN 0.356 nan 8.210 nan 0.000 0.458 526 G N 5.321 113.926 108.800 -0.325 0.000 2.367 526 G HA2 0.560 4.522 3.960 0.004 0.000 0.314 526 G HA3 0.560 4.522 3.960 0.004 0.000 0.314 526 G C -1.446 173.262 174.900 -0.319 0.000 1.130 526 G CA -0.226 44.758 45.100 -0.193 0.000 0.864 526 G HN 0.458 nan 8.290 nan 0.000 0.486 527 Y N 0.758 121.178 120.300 0.200 0.000 2.363 527 Y HA 0.328 4.880 4.550 0.002 0.000 0.325 527 Y C -0.721 175.264 175.900 0.142 0.000 0.984 527 Y CA -0.945 57.245 58.100 0.149 0.000 1.248 527 Y CB 1.632 40.217 38.460 0.209 0.000 1.116 527 Y HN 0.589 nan 8.280 nan 0.000 0.470 528 Y N 3.808 124.123 120.300 0.025 0.000 2.341 528 Y HA 0.610 5.161 4.550 0.000 0.000 0.337 528 Y C -1.567 174.303 175.900 -0.049 0.000 1.014 528 Y CA -1.887 56.298 58.100 0.142 0.000 1.111 528 Y CB 0.640 39.247 38.460 0.245 0.000 1.194 528 Y HN 0.453 nan 8.280 nan 0.000 0.462 529 F N 8.579 128.436 119.950 -0.154 0.000 2.311 529 F HA 0.391 4.918 4.527 0.001 0.000 0.371 529 F C -1.834 173.781 175.800 -0.308 0.000 1.083 529 F CA -2.458 55.502 58.000 -0.066 0.000 1.113 529 F CB 1.179 40.247 39.000 0.113 0.000 1.349 529 F HN 0.470 nan 8.300 nan 0.000 0.470 530 P HA -0.191 nan 4.420 nan 0.000 0.215 530 P C 0.596 177.915 177.300 0.032 0.000 1.157 530 P CA 1.734 64.812 63.100 -0.037 0.000 0.874 530 P CB 0.285 32.041 31.700 0.093 0.000 0.790 531 E N -1.283 118.971 120.200 0.091 0.000 2.499 531 E HA 0.328 4.680 4.350 0.004 0.000 0.199 531 E C 0.835 177.490 176.600 0.092 0.000 1.016 531 E CA -0.049 56.400 56.400 0.082 0.000 0.933 531 E CB 0.133 29.879 29.700 0.077 0.000 1.050 531 E HN 0.117 nan 8.360 nan 0.000 0.462 532 G N 1.436 110.317 108.800 0.136 0.000 2.693 532 G HA2 0.005 3.967 3.960 0.004 0.000 0.226 532 G HA3 0.005 3.967 3.960 0.004 0.000 0.226 532 G C -0.352 174.577 174.900 0.048 0.000 1.354 532 G CA -0.560 44.584 45.100 0.074 0.000 0.873 532 G HN 0.708 nan 8.290 nan 0.000 0.562 533 A N -1.341 121.398 122.820 -0.134 0.000 2.519 533 A HA 0.577 4.899 4.320 0.004 0.000 0.298 533 A C -0.789 176.587 177.584 -0.346 0.000 0.963 533 A CA 0.124 52.062 52.037 -0.165 0.000 0.624 533 A CB 0.202 19.156 19.000 -0.076 0.000 1.356 533 A HN 1.407 nan 8.150 nan 0.000 0.441 534 N N 1.366 119.881 118.700 -0.309 0.000 2.482 534 N HA 0.439 5.181 4.740 0.004 0.000 0.242 534 N C -0.674 174.509 175.510 -0.546 0.000 1.100 534 N CA 0.219 53.034 53.050 -0.392 0.000 0.946 534 N CB 0.455 38.783 38.487 -0.266 0.000 1.227 534 N HN 0.547 nan 8.380 nan 0.000 0.508 535 L N 0.580 121.309 121.223 -0.823 0.000 2.387 535 L HA 0.461 4.803 4.340 0.004 0.000 0.266 535 L C 0.521 176.767 176.870 -1.039 0.000 1.059 535 L CA -0.467 53.784 54.840 -0.982 0.000 0.801 535 L CB 1.209 42.532 42.059 -1.228 0.000 1.223 535 L HN 0.235 nan 8.230 nan 0.000 0.456 536 S N 2.044 117.051 115.700 -1.155 0.000 2.736 536 S HA 0.500 4.972 4.470 0.004 0.000 0.285 536 S C -1.229 172.647 174.600 -1.207 0.000 1.163 536 S CA -0.411 57.019 58.200 -1.284 0.000 1.025 536 S CB 1.535 63.531 63.200 -2.006 0.000 1.030 536 S HN 0.345 nan 8.310 nan 0.000 0.486 537 L N 3.797 124.640 121.223 -0.634 0.000 2.313 537 L HA 0.831 5.173 4.340 0.004 0.000 0.283 537 L C -0.361 176.374 176.870 -0.226 0.000 1.013 537 L CA 0.168 54.784 54.840 -0.373 0.000 0.816 537 L CB 1.670 43.681 42.059 -0.081 0.000 1.236 537 L HN 0.544 nan 8.230 nan 0.000 0.419 538 S N 1.944 117.546 115.700 -0.165 0.000 2.513 538 S HA 0.717 5.189 4.470 0.004 0.000 0.299 538 S C 0.241 174.840 174.600 -0.003 0.000 1.087 538 S CA 0.185 58.375 58.200 -0.017 0.000 1.012 538 S CB 1.316 64.590 63.200 0.123 0.000 1.044 538 S HN 0.835 nan 8.310 nan 0.000 0.485 539 T N 1.017 115.602 114.554 0.052 0.000 3.275 539 T HA 0.337 4.689 4.350 0.004 0.000 0.298 539 T C 0.120 174.878 174.700 0.097 0.000 0.988 539 T CA -0.424 61.734 62.100 0.096 0.000 0.936 539 T CB -0.169 68.764 68.868 0.108 0.000 1.159 539 T HN 0.644 nan 8.240 nan 0.000 0.519 540 Q N 1.494 121.343 119.800 0.082 0.000 2.443 540 Q HA 0.463 4.805 4.340 0.004 0.000 0.232 540 Q C 0.126 176.183 176.000 0.096 0.000 1.026 540 Q CA -0.409 55.442 55.803 0.079 0.000 0.924 540 Q CB 0.675 29.453 28.738 0.067 0.000 1.256 540 Q HN 0.342 nan 8.270 nan 0.000 0.519 541 S N 0.483 116.237 115.700 0.090 0.000 2.548 541 S HA 0.120 4.592 4.470 0.004 0.000 0.277 541 S C -0.789 173.866 174.600 0.092 0.000 1.315 541 S CA -0.370 57.893 58.200 0.105 0.000 1.050 541 S CB 0.455 63.706 63.200 0.086 0.000 0.918 541 S HN 0.427 nan 8.310 nan 0.000 0.497 542 Q N 1.822 121.687 119.800 0.109 0.000 2.387 542 Q HA 0.629 4.971 4.340 0.004 0.000 0.273 542 Q C -1.240 174.810 176.000 0.084 0.000 1.089 542 Q CA -1.128 54.721 55.803 0.078 0.000 0.824 542 Q CB 2.041 30.814 28.738 0.058 0.000 1.367 542 Q HN 0.705 nan 8.270 nan 0.000 0.443 543 K N -0.871 119.563 120.400 0.056 0.000 2.495 543 K HA 0.934 5.256 4.320 0.004 0.000 0.268 543 K C -0.668 175.944 176.600 0.019 0.000 1.008 543 K CA -0.716 55.598 56.287 0.045 0.000 0.882 543 K CB 1.599 34.121 32.500 0.037 0.000 1.443 543 K HN 0.754 nan 8.250 nan 0.000 0.447 544 G N 0.124 108.926 108.800 0.003 0.000 2.321 544 G HA2 0.330 4.292 3.960 0.004 0.000 0.298 544 G HA3 0.330 4.292 3.960 0.004 0.000 0.298 544 G C -1.961 172.944 174.900 0.009 0.000 1.385 544 G CA -0.651 44.422 45.100 -0.044 0.000 0.856 544 G HN 1.044 nan 8.290 nan 0.000 0.584 545 N N -1.710 117.033 118.700 0.071 0.000 2.471 545 N HA 0.575 5.317 4.740 0.004 0.000 0.288 545 N C 0.427 176.107 175.510 0.284 0.000 1.220 545 N CA -1.168 51.989 53.050 0.179 0.000 0.893 545 N CB 1.068 39.700 38.487 0.242 0.000 1.256 545 N HN 0.578 nan 8.380 nan 0.000 0.534 546 W N -1.072 120.388 121.300 0.267 0.000 2.436 546 W HA 0.130 4.792 4.660 0.004 0.000 0.284 546 W C 1.708 178.353 176.519 0.210 0.000 1.225 546 W CA -0.077 57.383 57.345 0.191 0.000 1.271 546 W CB -0.416 29.126 29.460 0.136 0.000 1.114 546 W HN 0.572 nan 8.180 nan 0.000 0.559 547 F N 1.769 121.941 119.950 0.371 0.000 2.091 547 F HA -0.366 4.163 4.527 0.004 0.000 0.299 547 F C 2.970 178.878 175.800 0.180 0.000 1.103 547 F CA 2.426 60.572 58.000 0.242 0.000 1.228 547 F CB -0.886 38.225 39.000 0.185 0.000 0.984 547 F HN 0.077 nan 8.300 nan 0.000 0.477 548 H N 0.715 119.836 119.070 0.085 0.000 2.561 548 H HA -0.079 4.479 4.556 0.003 0.000 0.278 548 H C 1.613 176.820 175.328 -0.202 0.000 1.014 548 H CA 1.705 57.704 56.048 -0.081 0.000 1.211 548 H CB -1.064 28.716 29.762 0.030 0.000 1.365 548 H HN 0.573 nan 8.280 nan 0.000 0.594 549 I N -3.241 117.028 120.570 -0.502 0.000 4.288 549 I HA 0.322 4.494 4.170 0.004 0.000 0.331 549 I C -0.055 175.888 176.117 -0.290 0.000 1.322 549 I CA -0.242 60.727 61.300 -0.553 0.000 1.149 549 I CB 0.525 38.154 38.000 -0.618 0.000 1.112 549 I HN -0.045 nan 8.210 nan 0.000 0.403 550 N N 1.859 120.459 118.700 -0.166 0.000 2.699 550 N HA 0.185 4.927 4.740 0.004 0.000 0.271 550 N C -0.753 174.685 175.510 -0.120 0.000 1.216 550 N CA -0.269 52.739 53.050 -0.070 0.000 0.844 550 N CB 0.802 39.377 38.487 0.147 0.000 1.462 550 N HN 0.150 nan 8.380 nan 0.000 0.555 551 N N 0.179 118.674 118.700 -0.342 0.000 2.585 551 N HA -0.059 4.683 4.740 0.004 0.000 0.188 551 N C 0.527 176.036 175.510 -0.002 0.000 1.102 551 N CA 0.515 53.289 53.050 -0.459 0.000 0.920 551 N CB 0.285 38.511 38.487 -0.434 0.000 0.963 551 N HN 0.326 nan 8.380 nan 0.000 0.447 552 S N -0.424 115.247 115.700 -0.049 0.000 2.593 552 S HA 0.065 4.537 4.470 0.004 0.000 0.217 552 S C 0.012 174.325 174.600 -0.479 0.000 0.966 552 S CA 0.241 58.317 58.200 -0.205 0.000 0.914 552 S CB 0.075 63.102 63.200 -0.288 0.000 0.776 552 S HN 0.346 nan 8.310 nan 0.000 0.523 553 H N 0.177 119.351 119.070 0.174 0.000 2.855 553 H HA 0.342 4.900 4.556 0.004 0.000 0.363 553 H C -0.048 175.461 175.328 0.302 0.000 1.185 553 H CA -0.827 55.327 56.048 0.177 0.000 1.174 553 H CB 1.128 30.944 29.762 0.089 0.000 1.857 553 H HN 0.072 nan 8.280 nan 0.000 0.565 554 S N 0.219 116.131 115.700 0.354 0.000 2.599 554 S HA -0.086 4.386 4.470 0.004 0.000 0.303 554 S C 0.949 175.744 174.600 0.325 0.000 1.267 554 S CA 0.068 58.432 58.200 0.274 0.000 1.055 554 S CB 0.183 63.522 63.200 0.231 0.000 0.790 554 S HN 0.528 nan 8.310 nan 0.000 0.500 555 K N 2.234 122.724 120.400 0.151 0.000 2.444 555 K HA 0.089 4.411 4.320 0.004 0.000 0.193 555 K C -0.226 176.437 176.600 0.105 0.000 1.024 555 K CA -0.060 56.282 56.287 0.093 0.000 1.077 555 K CB 0.087 32.472 32.500 -0.192 0.000 0.833 555 K HN 0.594 nan 8.250 nan 0.000 0.517 556 D N 2.644 123.122 120.400 0.130 0.000 2.424 556 D HA -0.050 4.592 4.640 0.004 0.000 0.244 556 D C -0.053 176.322 176.300 0.125 0.000 1.134 556 D CA 0.329 54.394 54.000 0.109 0.000 0.881 556 D CB 0.758 41.626 40.800 0.113 0.000 1.191 556 D HN 0.154 nan 8.370 nan 0.000 0.445 557 E N 1.119 121.367 120.200 0.079 0.000 2.360 557 E HA 0.249 4.601 4.350 0.004 0.000 0.269 557 E C -0.626 176.017 176.600 0.071 0.000 1.022 557 E CA -0.663 55.775 56.400 0.063 0.000 0.887 557 E CB 0.799 30.521 29.700 0.036 0.000 0.990 557 E HN 0.239 nan 8.360 nan 0.000 0.426 558 V N 1.035 120.983 119.914 0.057 0.000 2.715 558 V HA 0.790 4.912 4.120 0.004 0.000 0.310 558 V C -0.474 175.658 176.094 0.064 0.000 1.054 558 V CA -0.602 61.736 62.300 0.064 0.000 0.928 558 V CB 1.894 33.746 31.823 0.048 0.000 1.007 558 V HN 0.612 nan 8.190 nan 0.000 0.437 559 S N 1.096 116.844 115.700 0.080 0.000 2.618 559 S HA 1.027 5.499 4.470 0.004 0.000 0.277 559 S C -0.109 174.568 174.600 0.128 0.000 1.138 559 S CA -0.163 58.098 58.200 0.102 0.000 0.844 559 S CB 1.886 65.127 63.200 0.070 0.000 1.127 559 S HN 1.854 nan 8.310 nan 0.000 0.474 560 G N 0.789 109.709 108.800 0.200 0.000 2.404 560 G HA2 0.420 4.382 3.960 0.004 0.000 0.298 560 G HA3 0.420 4.382 3.960 0.004 0.000 0.298 560 G C -2.439 172.660 174.900 0.332 0.000 1.577 560 G CA -0.877 44.361 45.100 0.229 0.000 0.847 560 G HN 0.490 nan 8.290 nan 0.000 0.598 561 D N 0.135 120.694 120.400 0.265 0.000 2.383 561 D HA 0.411 5.053 4.640 0.004 0.000 0.252 561 D C 0.148 176.671 176.300 0.371 0.000 1.166 561 D CA 0.317 54.469 54.000 0.254 0.000 0.879 561 D CB 1.934 42.845 40.800 0.185 0.000 1.164 561 D HN 0.206 nan 8.370 nan 0.000 0.462 562 V N 3.459 123.525 119.914 0.253 0.000 2.540 562 V HA 0.229 4.352 4.120 0.004 0.000 0.302 562 V C -0.364 175.835 176.094 0.175 0.000 1.035 562 V CA -1.048 61.372 62.300 0.200 0.000 0.873 562 V CB 1.562 33.424 31.823 0.065 0.000 0.992 562 V HN 0.354 nan 8.190 nan 0.000 0.428 563 F N 5.591 125.557 119.950 0.027 0.000 2.413 563 F HA 0.548 5.076 4.527 0.003 0.000 0.359 563 F C 0.084 175.874 175.800 -0.017 0.000 1.122 563 F CA -0.234 57.711 58.000 -0.090 0.000 1.160 563 F CB 0.328 39.139 39.000 -0.315 0.000 1.146 563 F HN 0.445 nan 8.300 nan 0.000 0.514 564 K N 7.207 127.319 120.400 -0.480 0.000 2.463 564 K HA 0.605 4.927 4.320 0.004 0.000 0.255 564 K C -2.261 174.092 176.600 -0.413 0.000 0.942 564 K CA -0.956 55.129 56.287 -0.337 0.000 0.814 564 K CB 1.389 33.874 32.500 -0.025 0.000 1.122 564 K HN 0.705 nan 8.250 nan 0.000 0.425 565 L N 6.176 127.131 121.223 -0.447 0.000 2.409 565 L HA 0.719 5.061 4.340 0.004 0.000 0.272 565 L C -1.905 174.915 176.870 -0.085 0.000 0.980 565 L CA -0.074 54.520 54.840 -0.410 0.000 0.826 565 L CB 0.963 42.611 42.059 -0.684 0.000 1.268 565 L HN 0.800 nan 8.230 nan 0.000 0.407 566 W N 4.189 125.283 121.300 -0.343 0.000 3.042 566 W HA 0.814 5.476 4.660 0.004 0.000 0.342 566 W C -1.957 174.375 176.519 -0.311 0.000 1.240 566 W CA -1.125 56.035 57.345 -0.308 0.000 1.166 566 W CB 0.665 29.962 29.460 -0.272 0.000 1.469 566 W HN 0.385 nan 8.180 nan 0.000 0.579 567 I N 2.996 123.510 120.570 -0.095 0.000 2.412 567 I HA 0.256 4.428 4.170 0.004 0.000 0.296 567 I C -0.457 175.507 176.117 -0.255 0.000 0.987 567 I CA -1.114 60.019 61.300 -0.278 0.000 1.180 567 I CB 1.295 39.135 38.000 -0.267 0.000 1.340 567 I HN 0.364 nan 8.210 nan 0.000 0.455 568 N N 5.385 123.900 118.700 -0.307 0.000 2.437 568 N HA 0.244 4.987 4.740 0.004 0.000 0.259 568 N C 0.223 175.573 175.510 -0.268 0.000 0.983 568 N CA -0.428 52.509 53.050 -0.189 0.000 0.937 568 N CB 1.307 39.720 38.487 -0.123 0.000 1.122 568 N HN 0.569 nan 8.380 nan 0.000 0.499 569 H N 1.096 120.182 119.070 0.026 0.000 2.592 569 H HA 0.177 4.734 4.556 0.003 0.000 0.265 569 H C 1.362 176.688 175.328 -0.003 0.000 0.955 569 H CA 0.508 56.569 56.048 0.020 0.000 1.175 569 H CB 0.685 30.471 29.762 0.041 0.000 1.433 569 H HN 0.833 nan 8.280 nan 0.000 0.537 570 G N 0.633 109.475 108.800 0.070 0.000 2.756 570 G HA2 -0.051 3.911 3.960 0.004 0.000 0.678 570 G HA3 -0.051 3.911 3.960 0.004 0.000 0.678 570 G C -0.254 174.661 174.900 0.025 0.000 1.349 570 G CA -0.409 44.709 45.100 0.029 0.000 0.847 570 G HN 0.546 nan 8.290 nan 0.000 0.548 571 A N 0.142 122.962 122.820 -0.000 0.000 2.351 571 A HA 0.747 5.069 4.320 0.004 0.000 0.257 571 A C 1.387 178.965 177.584 -0.009 0.000 1.087 571 A CA 0.896 52.924 52.037 -0.014 0.000 0.798 571 A CB 0.071 19.058 19.000 -0.022 0.000 1.033 571 A HN 1.891 nan 8.150 nan 0.000 0.488 572 R N -0.562 119.927 120.500 -0.017 0.000 3.225 572 R HA -0.131 4.211 4.340 0.004 0.000 0.245 572 R C -2.233 174.059 176.300 -0.013 0.000 0.928 572 R CA 0.634 56.724 56.100 -0.017 0.000 0.632 572 R CB -1.928 28.362 30.300 -0.017 0.000 1.038 572 R HN 0.709 nan 8.270 nan 0.000 0.461 573 P HA 0.008 nan 4.420 nan 0.000 0.272 573 P C -0.562 176.722 177.300 -0.028 0.000 1.230 573 P CA 0.189 63.285 63.100 -0.007 0.000 0.788 573 P CB 0.814 32.513 31.700 -0.002 0.000 0.949 574 E N 1.630 121.813 120.200 -0.028 0.000 2.283 574 E HA 0.159 4.511 4.350 0.004 0.000 0.258 574 E C -0.329 176.244 176.600 -0.045 0.000 0.893 574 E CA -0.576 55.802 56.400 -0.037 0.000 0.798 574 E CB 0.067 29.751 29.700 -0.028 0.000 1.242 574 E HN 0.402 nan 8.360 nan 0.000 0.414 575 N N 2.323 120.984 118.700 -0.065 0.000 2.725 575 N HA -0.242 4.500 4.740 0.004 0.000 0.249 575 N C -0.904 174.562 175.510 -0.074 0.000 1.103 575 N CA 1.042 54.046 53.050 -0.076 0.000 0.707 575 N CB -0.968 37.483 38.487 -0.061 0.000 1.043 575 N HN 0.619 nan 8.380 nan 0.000 0.553 576 A N -0.138 122.635 122.820 -0.079 0.000 2.366 576 A HA 0.502 4.824 4.320 0.004 0.000 0.250 576 A C 0.661 178.185 177.584 -0.099 0.000 1.099 576 A CA 0.758 52.761 52.037 -0.057 0.000 0.794 576 A CB 0.394 19.367 19.000 -0.046 0.000 1.056 576 A HN 0.609 nan 8.150 nan 0.000 0.499 577 Q N -1.355 118.434 119.800 -0.018 0.000 2.707 577 Q HA 0.717 5.059 4.340 0.004 0.000 0.307 577 Q C -1.630 174.480 176.000 0.182 0.000 0.934 577 Q CA -0.835 54.937 55.803 -0.052 0.000 0.753 577 Q CB 1.566 30.257 28.738 -0.078 0.000 1.478 577 Q HN 1.241 nan 8.270 nan 0.000 0.458 578 Y N -2.528 117.864 120.300 0.154 0.000 2.656 578 Y HA 0.891 5.443 4.550 0.003 0.000 0.334 578 Y C -2.112 173.893 175.900 0.176 0.000 1.179 578 Y CA -0.750 57.498 58.100 0.246 0.000 1.050 578 Y CB 1.411 40.112 38.460 0.402 0.000 1.308 578 Y HN 0.998 nan 8.280 nan 0.000 0.456 579 A N 2.438 125.567 122.820 0.515 0.000 2.480 579 A HA 0.698 5.020 4.320 0.004 0.000 0.289 579 A C -2.260 175.558 177.584 0.391 0.000 1.044 579 A CA -0.572 51.656 52.037 0.317 0.000 0.761 579 A CB 0.419 19.503 19.000 0.140 0.000 1.289 579 A HN 1.582 nan 8.150 nan 0.000 0.401 580 Y N 0.185 120.609 120.300 0.206 0.000 2.544 580 Y HA 0.834 5.385 4.550 0.003 0.000 0.342 580 Y C -1.357 174.579 175.900 0.060 0.000 1.062 580 Y CA -1.554 56.532 58.100 -0.022 0.000 1.023 580 Y CB 1.121 39.475 38.460 -0.175 0.000 1.308 580 Y HN 0.500 nan 8.280 nan 0.000 0.457 581 I N 3.879 124.553 120.570 0.173 0.000 2.404 581 I HA 0.512 4.684 4.170 0.004 0.000 0.293 581 I C -0.869 175.349 176.117 0.168 0.000 0.992 581 I CA -1.362 60.039 61.300 0.168 0.000 1.149 581 I CB 1.965 40.137 38.000 0.287 0.000 1.315 581 I HN 0.489 nan 8.210 nan 0.000 0.446 582 V N 7.260 127.236 119.914 0.103 0.000 2.394 582 V HA 0.334 4.456 4.120 0.004 0.000 0.282 582 V C -0.258 175.749 176.094 -0.144 0.000 1.031 582 V CA -0.494 61.813 62.300 0.011 0.000 0.881 582 V CB 1.519 33.467 31.823 0.208 0.000 0.982 582 V HN 0.390 nan 8.190 nan 0.000 0.451 583 L N 8.039 129.104 121.223 -0.264 0.000 2.337 583 L HA 0.493 4.836 4.340 0.004 0.000 0.269 583 L C -2.579 174.112 176.870 -0.298 0.000 1.018 583 L CA -1.274 53.383 54.840 -0.305 0.000 0.876 583 L CB 1.287 43.097 42.059 -0.415 0.000 1.236 583 L HN 0.428 nan 8.230 nan 0.000 0.436 584 P HA 0.404 nan 4.420 nan 0.000 0.279 584 P C 0.667 177.901 177.300 -0.111 0.000 1.239 584 P CA -0.156 62.775 63.100 -0.281 0.000 0.789 584 P CB 1.348 32.669 31.700 -0.632 0.000 0.933 585 G N 2.526 111.300 108.800 -0.044 0.000 2.204 585 G HA2 -0.167 3.795 3.960 0.004 0.000 0.244 585 G HA3 -0.167 3.795 3.960 0.004 0.000 0.244 585 G C -0.190 174.679 174.900 -0.050 0.000 1.062 585 G CA -0.656 44.444 45.100 -0.000 0.000 0.798 585 G HN 0.401 nan 8.290 nan 0.000 0.496 586 I N 1.024 121.536 120.570 -0.096 0.000 2.325 586 I HA 0.245 4.417 4.170 0.004 0.000 0.291 586 I C 0.672 176.737 176.117 -0.086 0.000 1.019 586 I CA -0.503 60.724 61.300 -0.122 0.000 1.302 586 I CB 1.140 39.035 38.000 -0.175 0.000 1.401 586 I HN 0.098 nan 8.210 nan 0.000 0.485 587 N N 5.552 124.210 118.700 -0.071 0.000 2.282 587 N HA 0.117 4.859 4.740 0.004 0.000 0.185 587 N C -0.072 175.410 175.510 -0.047 0.000 1.099 587 N CA 0.259 53.280 53.050 -0.049 0.000 0.878 587 N CB 1.056 39.524 38.487 -0.032 0.000 0.993 587 N HN 0.536 nan 8.380 nan 0.000 0.481 588 K N 0.003 120.363 120.400 -0.067 0.000 2.525 588 K HA 0.286 4.608 4.320 0.004 0.000 0.254 588 K C -2.176 174.365 176.600 -0.099 0.000 0.934 588 K CA -1.623 54.629 56.287 -0.058 0.000 0.802 588 K CB 3.068 35.541 32.500 -0.045 0.000 1.295 588 K HN -0.346 nan 8.250 nan 0.000 0.433 589 P HA -0.242 nan 4.420 nan 0.000 0.217 589 P C 0.326 177.498 177.300 -0.215 0.000 1.151 589 P CA 1.439 64.461 63.100 -0.130 0.000 0.849 589 P CB 0.308 32.040 31.700 0.053 0.000 0.787 590 E N -0.071 120.066 120.200 -0.105 0.000 2.097 590 E HA -0.241 4.111 4.350 0.004 0.000 0.196 590 E C 1.914 178.428 176.600 -0.144 0.000 1.000 590 E CA 1.153 57.498 56.400 -0.091 0.000 0.804 590 E CB -0.634 29.040 29.700 -0.044 0.000 0.740 590 E HN 0.433 nan 8.360 nan 0.000 0.454 591 E N 0.248 120.353 120.200 -0.158 0.000 2.273 591 E HA -0.190 4.162 4.350 0.004 0.000 0.198 591 E C 2.057 178.508 176.600 -0.248 0.000 1.002 591 E CA 1.295 57.595 56.400 -0.168 0.000 0.828 591 E CB -0.149 29.459 29.700 -0.153 0.000 0.747 591 E HN 0.548 nan 8.360 nan 0.000 0.491 592 I N -3.243 117.090 120.570 -0.395 0.000 4.139 592 I HA 0.116 4.289 4.170 0.004 0.000 0.320 592 I C 2.041 177.811 176.117 -0.579 0.000 1.290 592 I CA -0.244 60.730 61.300 -0.543 0.000 1.253 592 I CB 0.044 37.576 38.000 -0.780 0.000 1.122 592 I HN -0.197 nan 8.210 nan 0.000 0.421 593 K N 3.072 123.152 120.400 -0.533 0.000 2.160 593 K HA -0.181 4.141 4.320 0.004 0.000 0.206 593 K C 1.554 178.143 176.600 -0.018 0.000 1.047 593 K CA 2.240 58.396 56.287 -0.218 0.000 0.930 593 K CB -0.061 32.424 32.500 -0.025 0.000 0.720 593 K HN 0.546 nan 8.250 nan 0.000 0.450 594 K N -0.322 120.049 120.400 -0.049 0.000 2.537 594 K HA 0.036 4.358 4.320 0.004 0.000 0.206 594 K C 0.969 177.563 176.600 -0.009 0.000 1.041 594 K CA -0.081 56.207 56.287 0.002 0.000 1.090 594 K CB -0.658 nan 32.500 nan 0.000 0.833 594 K HN 0.215 nan 8.250 nan 0.000 0.493 595 Y N 1.327 121.502 120.300 -0.208 0.000 2.242 595 Y HA -0.200 4.355 4.550 0.008 0.000 0.291 595 Y C 2.546 178.252 175.900 -0.324 0.000 1.137 595 Y CA 2.092 60.002 58.100 -0.317 0.000 1.181 595 Y CB -0.710 37.459 38.460 -0.486 0.000 0.989 595 Y HN 0.485 nan 8.280 nan 0.000 0.527 596 N N 0.117 118.692 118.700 -0.209 0.000 2.242 596 N HA -0.205 4.537 4.740 0.004 0.000 0.191 596 N C 1.963 177.356 175.510 -0.196 0.000 1.005 596 N CA 1.531 54.515 53.050 -0.109 0.000 0.877 596 N CB -1.600 nan 38.487 nan 0.000 0.983 596 N HN 0.542 nan 8.380 nan 0.000 0.439 597 G N -1.491 107.198 108.800 -0.184 0.000 2.813 597 G HA2 0.207 4.169 3.960 0.004 0.000 0.209 597 G HA3 0.207 4.169 3.960 0.004 0.000 0.209 597 G C 1.210 175.968 174.900 -0.236 0.000 1.150 597 G CA 1.679 46.683 45.100 -0.159 0.000 0.785 597 G HN 0.906 nan 8.290 nan 0.000 0.535 598 T N -3.528 110.791 114.554 -0.391 0.000 3.262 598 T HA 0.631 4.983 4.350 0.004 0.000 0.300 598 T C 0.730 175.027 174.700 -0.671 0.000 0.959 598 T CA 0.406 62.262 62.100 -0.407 0.000 0.936 598 T CB 0.480 69.204 68.868 -0.239 0.000 1.169 598 T HN 0.306 nan 8.240 nan 0.000 0.532 599 A N 2.608 124.855 122.820 -0.955 0.000 2.386 599 A HA 0.668 4.990 4.320 0.004 0.000 0.248 599 A C -2.315 174.866 177.584 -0.672 0.000 1.082 599 A CA -1.197 50.180 52.037 -1.100 0.000 0.789 599 A CB -0.320 17.992 19.000 -1.146 0.000 1.025 599 A HN 0.340 nan 8.150 nan 0.000 0.490 600 P HA 0.163 nan 4.420 nan 0.000 0.269 600 P C -0.553 176.525 177.300 -0.371 0.000 1.215 600 P CA -0.074 62.638 63.100 -0.647 0.000 0.780 600 P CB 0.435 31.770 31.700 -0.608 0.000 0.898 601 K N 2.036 122.249 120.400 -0.313 0.000 2.234 601 K HA 0.295 4.617 4.320 0.004 0.000 0.277 601 K C -0.934 175.602 176.600 -0.106 0.000 1.038 601 K CA -0.686 55.507 56.287 -0.156 0.000 0.888 601 K CB 0.582 33.031 32.500 -0.085 0.000 1.091 601 K HN 0.124 nan 8.250 nan 0.000 0.467 602 V N 7.325 127.180 119.914 -0.097 0.000 2.421 602 V HA -0.016 4.106 4.120 0.004 0.000 0.271 602 V C 1.369 177.409 176.094 -0.090 0.000 1.031 602 V CA 0.189 62.414 62.300 -0.126 0.000 1.032 602 V CB 0.537 32.301 31.823 -0.098 0.000 1.009 602 V HN 0.873 nan 8.190 nan 0.000 0.477 603 L N 4.213 125.373 121.223 -0.106 0.000 2.162 603 L HA 0.338 4.680 4.340 0.004 0.000 0.205 603 L C 0.982 177.805 176.870 -0.079 0.000 1.086 603 L CA 1.139 55.938 54.840 -0.068 0.000 0.778 603 L CB -0.018 42.004 42.059 -0.062 0.000 0.928 603 L HN 0.766 nan 8.230 nan 0.000 0.446 604 A N -0.446 122.306 122.820 -0.113 0.000 2.594 604 A HA 0.597 4.920 4.320 0.004 0.000 0.296 604 A C -1.358 176.163 177.584 -0.105 0.000 1.061 604 A CA -0.423 51.558 52.037 -0.094 0.000 0.689 604 A CB 1.234 20.180 19.000 -0.089 0.000 1.280 604 A HN 0.035 nan 8.150 nan 0.000 0.406 605 N N 0.766 119.417 118.700 -0.081 0.000 2.751 605 N HA 0.457 5.200 4.740 0.004 0.000 0.234 605 N C -0.737 174.724 175.510 -0.081 0.000 1.403 605 N CA 0.589 53.588 53.050 -0.086 0.000 0.747 605 N CB 1.192 39.617 38.487 -0.103 0.000 1.326 605 N HN 1.058 nan 8.380 nan 0.000 0.532 606 T N -1.234 113.281 114.554 -0.065 0.000 2.864 606 T HA 0.360 4.713 4.350 0.004 0.000 0.289 606 T C 1.044 175.679 174.700 -0.108 0.000 1.082 606 T CA -0.705 61.348 62.100 -0.077 0.000 1.009 606 T CB 0.897 69.736 68.868 -0.049 0.000 1.234 606 T HN 0.160 nan 8.240 nan 0.000 0.526 607 N N -0.174 118.431 118.700 -0.159 0.000 2.571 607 N HA -0.045 4.697 4.740 0.004 0.000 0.189 607 N C 1.054 176.412 175.510 -0.252 0.000 1.154 607 N CA 0.553 53.428 53.050 -0.292 0.000 0.907 607 N CB -0.330 38.001 38.487 -0.261 0.000 0.977 607 N HN 0.747 nan 8.380 nan 0.000 0.449 608 Q N -0.915 118.859 119.800 -0.044 0.000 2.353 608 Q HA 0.308 4.650 4.340 0.004 0.000 0.240 608 Q C -0.565 175.561 176.000 0.210 0.000 0.868 608 Q CA -0.038 55.819 55.803 0.090 0.000 0.944 608 Q CB 1.017 29.790 28.738 0.059 0.000 1.104 608 Q HN 0.281 nan 8.270 nan 0.000 0.531 609 L N 0.542 121.848 121.223 0.138 0.000 2.611 609 L HA 0.322 4.664 4.340 0.004 0.000 0.260 609 L C -2.144 174.724 176.870 -0.004 0.000 0.924 609 L CA -0.141 54.709 54.840 0.016 0.000 0.901 609 L CB 2.196 44.198 42.059 -0.095 0.000 1.369 609 L HN -0.138 nan 8.230 nan 0.000 0.415 610 Q N 3.804 123.597 119.800 -0.013 0.000 2.292 610 Q HA 0.916 5.258 4.340 0.004 0.000 0.270 610 Q C -1.297 174.690 176.000 -0.022 0.000 1.024 610 Q CA -0.655 55.168 55.803 0.033 0.000 0.768 610 Q CB 2.420 31.298 28.738 0.233 0.000 1.250 610 Q HN 0.883 nan 8.270 nan 0.000 0.447 611 A N 1.811 124.489 122.820 -0.237 0.000 2.594 611 A HA 0.836 5.158 4.320 0.004 0.000 0.295 611 A C -1.455 175.859 177.584 -0.450 0.000 1.071 611 A CA -0.504 51.351 52.037 -0.303 0.000 0.685 611 A CB 1.769 20.651 19.000 -0.197 0.000 1.285 611 A HN 0.403 nan 8.150 nan 0.000 0.405 612 V N 1.409 121.086 119.914 -0.395 0.000 2.789 612 V HA 0.516 4.638 4.120 0.004 0.000 0.311 612 V C -1.513 174.633 176.094 0.087 0.000 1.073 612 V CA -0.523 61.642 62.300 -0.225 0.000 0.921 612 V CB 1.935 33.585 31.823 -0.289 0.000 1.009 612 V HN 0.888 nan 8.190 nan 0.000 0.426 613 Y N 4.044 124.289 120.300 -0.092 0.000 2.328 613 Y HA 0.520 5.069 4.550 -0.001 0.000 0.337 613 Y C -0.414 175.408 175.900 -0.131 0.000 0.966 613 Y CA -1.182 56.887 58.100 -0.052 0.000 1.136 613 Y CB 0.886 39.309 38.460 -0.062 0.000 1.170 613 Y HN 0.749 nan 8.280 nan 0.000 0.470 614 H N 7.349 126.207 119.070 -0.353 0.000 2.685 614 H HA 0.160 4.720 4.556 0.006 0.000 0.286 614 H C 0.899 175.800 175.328 -0.712 0.000 1.102 614 H CA 0.131 55.792 56.048 -0.645 0.000 1.254 614 H CB 1.166 30.467 29.762 -0.769 0.000 1.397 614 H HN 0.885 nan 8.280 nan 0.000 0.473 615 Q N 3.300 122.563 119.800 -0.895 0.000 2.061 615 Q HA -0.151 4.191 4.340 0.004 0.000 0.204 615 Q C 1.239 177.123 176.000 -0.194 0.000 0.984 615 Q CA 1.439 56.830 55.803 -0.686 0.000 0.846 615 Q CB 0.412 28.803 28.738 -0.577 0.000 0.902 615 Q HN 0.695 nan 8.270 nan 0.000 0.421 616 Q N 0.136 119.892 119.800 -0.073 0.000 2.050 616 Q HA -0.075 4.267 4.340 0.004 0.000 0.202 616 Q C 2.262 178.306 176.000 0.075 0.000 0.980 616 Q CA 1.075 56.907 55.803 0.049 0.000 0.840 616 Q CB -0.287 28.518 28.738 0.112 0.000 0.898 616 Q HN 0.408 nan 8.270 nan 0.000 0.424 617 L N 0.530 121.806 121.223 0.089 0.000 2.554 617 L HA -0.044 4.298 4.340 0.004 0.000 0.226 617 L C 0.146 177.017 176.870 0.000 0.000 1.137 617 L CA 0.102 54.889 54.840 -0.090 0.000 0.863 617 L CB -0.158 41.656 42.059 -0.409 0.000 0.985 617 L HN 0.233 nan 8.230 nan 0.000 0.451 618 D N 0.756 121.195 120.400 0.065 0.000 2.697 618 D HA -0.258 4.385 4.640 0.004 0.000 0.238 618 D C -0.079 176.323 176.300 0.170 0.000 1.152 618 D CA 0.796 54.895 54.000 0.165 0.000 0.666 618 D CB -0.419 40.482 40.800 0.170 0.000 1.037 618 D HN 0.245 nan 8.370 nan 0.000 0.423 619 M N 0.141 119.846 119.600 0.174 0.000 2.530 619 M HA 0.599 5.081 4.480 0.004 0.000 0.307 619 M C -1.490 175.001 176.300 0.319 0.000 1.161 619 M CA -0.871 54.522 55.300 0.155 0.000 0.903 619 M CB 2.140 34.752 32.600 0.019 0.000 1.711 619 M HN -0.148 nan 8.290 nan 0.000 0.451 620 V N 3.534 123.597 119.914 0.249 0.000 2.656 620 V HA 0.489 4.611 4.120 0.004 0.000 0.307 620 V C -1.056 175.176 176.094 0.229 0.000 1.051 620 V CA -0.547 61.909 62.300 0.261 0.000 0.893 620 V CB 2.174 34.091 31.823 0.157 0.000 0.999 620 V HN 0.880 nan 8.190 nan 0.000 0.426 621 Q N 2.501 122.462 119.800 0.269 0.000 2.337 621 Q HA 0.841 5.183 4.340 0.004 0.000 0.270 621 Q C -0.815 175.368 176.000 0.304 0.000 1.043 621 Q CA -0.545 55.431 55.803 0.287 0.000 0.794 621 Q CB 2.677 31.635 28.738 0.367 0.000 1.281 621 Q HN 0.926 nan 8.270 nan 0.000 0.446 622 A N 2.836 125.812 122.820 0.260 0.000 2.515 622 A HA 0.705 5.027 4.320 0.004 0.000 0.298 622 A C -1.378 176.257 177.584 0.085 0.000 1.059 622 A CA -0.582 51.529 52.037 0.122 0.000 0.698 622 A CB 1.301 20.231 19.000 -0.116 0.000 1.289 622 A HN 0.587 nan 8.150 nan 0.000 0.404 623 I N 2.049 122.588 120.570 -0.051 0.000 2.390 623 I HA 0.317 4.489 4.170 0.004 0.000 0.283 623 I C -1.326 174.593 176.117 -0.329 0.000 1.016 623 I CA -0.293 60.930 61.300 -0.128 0.000 1.151 623 I CB 0.402 38.262 38.000 -0.234 0.000 1.293 623 I HN 0.510 nan 8.210 nan 0.000 0.458 624 F N 5.840 125.764 119.950 -0.043 0.000 2.335 624 F HA 0.299 4.828 4.527 0.004 0.000 0.365 624 F C 0.960 176.750 175.800 -0.017 0.000 1.122 624 F CA -0.357 57.643 58.000 0.001 0.000 1.151 624 F CB 0.546 39.595 39.000 0.082 0.000 1.282 624 F HN 0.356 nan 8.300 nan 0.000 0.513 625 Y N 0.450 120.802 120.300 0.087 0.000 2.373 625 Y HA -0.034 4.518 4.550 0.002 0.000 0.293 625 Y C 1.469 177.424 175.900 0.092 0.000 1.129 625 Y CA 0.599 58.616 58.100 -0.139 0.000 1.226 625 Y CB 0.021 38.240 38.460 -0.402 0.000 1.000 625 Y HN 0.446 nan 8.280 nan 0.000 0.549 626 T N -2.787 111.936 114.554 0.281 0.000 2.883 626 T HA 0.770 5.122 4.350 0.004 0.000 0.296 626 T C -0.317 174.519 174.700 0.227 0.000 1.117 626 T CA -0.901 61.328 62.100 0.215 0.000 1.006 626 T CB 1.583 70.542 68.868 0.151 0.000 1.191 626 T HN 0.125 nan 8.240 nan 0.000 0.508 627 A N 0.301 123.209 122.820 0.146 0.000 2.555 627 A HA 0.654 4.976 4.320 0.004 0.000 0.233 627 A C 0.920 178.582 177.584 0.129 0.000 1.060 627 A CA 0.539 52.627 52.037 0.085 0.000 0.759 627 A CB -0.785 18.241 19.000 0.044 0.000 0.995 627 A HN 1.888 nan 8.150 nan 0.000 0.506 628 G N 0.643 109.504 108.800 0.101 0.000 2.430 628 G HA2 0.551 4.513 3.960 0.004 0.000 0.300 628 G HA3 0.551 4.513 3.960 0.004 0.000 0.300 628 G C -1.112 173.901 174.900 0.189 0.000 1.330 628 G CA -0.231 44.986 45.100 0.195 0.000 0.813 628 G HN 1.157 nan 8.290 nan 0.000 0.487 629 K N -1.575 118.971 120.400 0.242 0.000 2.400 629 K HA 0.896 5.218 4.320 0.004 0.000 0.246 629 K C -1.830 174.924 176.600 0.257 0.000 0.995 629 K CA -1.021 55.395 56.287 0.215 0.000 0.840 629 K CB 2.759 35.317 32.500 0.096 0.000 1.293 629 K HN 0.802 nan 8.250 nan 0.000 0.445 630 L N 0.469 121.818 121.223 0.210 0.000 2.493 630 L HA 0.427 4.769 4.340 0.004 0.000 0.265 630 L C -1.621 175.284 176.870 0.059 0.000 0.954 630 L CA -0.065 54.852 54.840 0.128 0.000 0.844 630 L CB 2.528 44.682 42.059 0.158 0.000 1.302 630 L HN 0.818 nan 8.230 nan 0.000 0.405 631 S N 3.083 118.791 115.700 0.013 0.000 2.475 631 S HA 0.923 5.395 4.470 0.004 0.000 0.298 631 S C -1.096 173.466 174.600 -0.063 0.000 1.119 631 S CA -0.515 57.674 58.200 -0.018 0.000 1.085 631 S CB 1.687 64.879 63.200 -0.014 0.000 1.028 631 S HN 0.743 nan 8.310 nan 0.000 0.489 632 V N 1.996 121.846 119.914 -0.107 0.000 2.971 632 V HA 0.565 4.687 4.120 0.004 0.000 0.281 632 V C -0.320 175.620 176.094 -0.256 0.000 1.470 632 V CA 0.051 62.219 62.300 -0.219 0.000 0.966 632 V CB 1.099 32.723 31.823 -0.331 0.000 1.156 632 V HN 1.682 nan 8.190 nan 0.000 0.441 633 A N 4.248 126.905 122.820 -0.272 0.000 2.748 633 A HA 0.168 4.490 4.320 0.004 0.000 0.297 633 A C 2.135 179.664 177.584 -0.091 0.000 1.508 633 A CA 2.165 54.094 52.037 -0.180 0.000 0.799 633 A CB -1.831 17.013 19.000 -0.260 0.000 1.011 633 A HN 3.111 nan 8.150 nan 0.000 0.500 634 G N -2.299 106.461 108.800 -0.067 0.000 2.162 634 G HA2 -0.144 3.818 3.960 0.004 0.000 0.260 634 G HA3 -0.144 3.818 3.960 0.004 0.000 0.260 634 G C 0.341 175.219 174.900 -0.036 0.000 0.976 634 G CA 0.859 45.935 45.100 -0.039 0.000 0.655 634 G HN 2.517 nan 8.290 nan 0.000 0.533 635 I N -3.573 116.967 120.570 -0.050 0.000 3.042 635 I HA 0.910 5.082 4.170 0.004 0.000 0.310 635 I C -0.689 175.411 176.117 -0.028 0.000 1.117 635 I CA -1.481 59.799 61.300 -0.034 0.000 1.003 635 I CB 2.376 40.357 38.000 -0.032 0.000 1.228 635 I HN 0.018 nan 8.210 nan 0.000 0.443 636 E N 3.859 124.053 120.200 -0.011 0.000 2.216 636 E HA 0.533 4.885 4.350 0.004 0.000 0.260 636 E C -1.569 175.042 176.600 0.019 0.000 0.880 636 E CA -0.727 55.677 56.400 0.006 0.000 0.765 636 E CB 1.847 31.552 29.700 0.008 0.000 1.174 636 E HN 0.635 nan 8.360 nan 0.000 0.417 637 I N 3.786 124.386 120.570 0.050 0.000 2.331 637 I HA 0.300 4.472 4.170 0.004 0.000 0.292 637 I C 0.115 176.270 176.117 0.063 0.000 0.998 637 I CA -0.246 61.093 61.300 0.065 0.000 1.267 637 I CB 1.347 39.425 38.000 0.130 0.000 1.386 637 I HN 0.518 nan 8.210 nan 0.000 0.476 638 E N 4.284 124.466 120.200 -0.030 0.000 2.317 638 E HA 0.544 4.896 4.350 0.004 0.000 0.270 638 E C -1.392 175.077 176.600 -0.218 0.000 0.885 638 E CA -0.563 55.778 56.400 -0.098 0.000 0.760 638 E CB 2.416 32.090 29.700 -0.044 0.000 1.227 638 E HN 0.532 nan 8.360 nan 0.000 0.434 639 T N 1.109 115.453 114.554 -0.350 0.000 2.900 639 T HA 0.208 4.560 4.350 0.004 0.000 0.295 639 T C -0.451 174.139 174.700 -0.184 0.000 1.044 639 T CA -0.578 61.328 62.100 -0.323 0.000 0.995 639 T CB 1.119 69.656 68.868 -0.552 0.000 1.072 639 T HN 0.577 nan 8.240 nan 0.000 0.473 640 D N 2.212 122.557 120.400 -0.092 0.000 2.340 640 D HA 0.220 4.862 4.640 0.004 0.000 0.217 640 D C 0.049 176.352 176.300 0.006 0.000 1.081 640 D CA -0.123 53.858 54.000 -0.032 0.000 0.842 640 D CB 0.332 41.122 40.800 -0.016 0.000 0.934 640 D HN 0.202 nan 8.370 nan 0.000 0.511 641 K N 0.461 120.867 120.400 0.009 0.000 2.508 641 K HA 0.444 4.766 4.320 0.004 0.000 0.260 641 K C -3.015 173.638 176.600 0.088 0.000 0.949 641 K CA -1.963 54.365 56.287 0.068 0.000 0.834 641 K CB 1.928 34.502 32.500 0.123 0.000 1.365 641 K HN -0.171 nan 8.250 nan 0.000 0.437 642 P HA 0.174 nan 4.420 nan 0.000 0.269 642 P C -0.421 177.004 177.300 0.209 0.000 1.209 642 P CA -0.250 62.998 63.100 0.247 0.000 0.776 642 P CB 0.433 32.326 31.700 0.322 0.000 0.876 643 C N -0.251 119.233 119.300 0.307 0.000 3.167 643 C HA 0.841 5.303 4.460 0.004 0.000 0.348 643 C C -1.504 173.686 174.990 0.332 0.000 1.394 643 C CA -1.044 58.123 59.018 0.249 0.000 1.204 643 C CB 0.790 28.707 27.740 0.294 0.000 1.467 643 C HN 0.636 nan 8.230 nan 0.000 0.446 644 A N 0.605 123.581 122.820 0.260 0.000 2.330 644 A HA 0.906 5.229 4.320 0.004 0.000 0.313 644 A C -0.401 177.338 177.584 0.259 0.000 1.124 644 A CA 0.094 52.276 52.037 0.241 0.000 0.774 644 A CB 1.013 20.105 19.000 0.154 0.000 1.198 644 A HN 2.509 nan 8.150 nan 0.000 0.465 645 V N 0.703 120.789 119.914 0.287 0.000 2.914 645 V HA 0.912 5.034 4.120 0.004 0.000 0.314 645 V C -1.110 175.121 176.094 0.229 0.000 1.084 645 V CA -0.940 61.520 62.300 0.267 0.000 0.963 645 V CB 1.615 33.620 31.823 0.304 0.000 1.025 645 V HN 1.280 nan 8.190 nan 0.000 0.432 646 L N 4.487 125.847 121.223 0.228 0.000 2.406 646 L HA 0.768 5.111 4.340 0.004 0.000 0.272 646 L C -1.114 175.917 176.870 0.269 0.000 0.980 646 L CA -0.222 54.730 54.840 0.185 0.000 0.831 646 L CB 1.376 43.476 42.059 0.068 0.000 1.253 646 L HN 0.756 nan 8.230 nan 0.000 0.406 647 I N 4.916 125.603 120.570 0.196 0.000 2.418 647 I HA 0.442 4.614 4.170 0.004 0.000 0.287 647 I C -0.310 175.870 176.117 0.105 0.000 1.008 647 I CA -0.700 60.708 61.300 0.181 0.000 1.104 647 I CB 1.704 39.783 38.000 0.131 0.000 1.264 647 I HN 0.570 nan 8.210 nan 0.000 0.438 648 K N 4.460 124.908 120.400 0.080 0.000 2.118 648 K HA 0.453 4.775 4.320 0.004 0.000 0.254 648 K C -0.418 176.052 176.600 -0.217 0.000 0.961 648 K CA -0.831 55.331 56.287 -0.208 0.000 0.876 648 K CB 0.820 33.075 32.500 -0.409 0.000 1.077 648 K HN 0.569 nan 8.250 nan 0.000 0.440 649 H N 1.125 120.255 119.070 0.099 0.000 2.604 649 H HA -0.148 4.410 4.556 0.003 0.000 0.321 649 H C 0.976 176.348 175.328 0.074 0.000 1.132 649 H CA 0.890 56.986 56.048 0.081 0.000 1.129 649 H CB -2.021 27.782 29.762 0.069 0.000 1.526 649 H HN 0.728 nan 8.280 nan 0.000 0.415 650 I N -2.970 117.686 120.570 0.143 0.000 2.567 650 I HA -0.154 4.018 4.170 0.004 0.000 0.257 650 I C 1.313 177.475 176.117 0.075 0.000 1.184 650 I CA 1.511 62.864 61.300 0.088 0.000 1.451 650 I CB -0.077 37.947 38.000 0.040 0.000 1.089 650 I HN 0.034 nan 8.210 nan 0.000 0.441 651 N N 1.317 120.080 118.700 0.106 0.000 2.251 651 N HA 0.284 5.026 4.740 0.004 0.000 0.217 651 N C 0.426 175.980 175.510 0.073 0.000 1.124 651 N CA 0.611 53.708 53.050 0.078 0.000 0.843 651 N CB 1.334 39.874 38.487 0.089 0.000 1.024 651 N HN 0.646 nan 8.380 nan 0.000 0.501 652 G N -0.492 108.364 108.800 0.094 0.000 3.100 652 G HA2 0.394 4.356 3.960 0.004 0.000 0.174 652 G HA3 0.394 4.356 3.960 0.004 0.000 0.174 652 G C -0.873 174.068 174.900 0.069 0.000 1.136 652 G CA -0.305 44.834 45.100 0.064 0.000 0.881 652 G HN 0.100 nan 8.290 nan 0.000 0.616 653 K N 1.163 121.590 120.400 0.045 0.000 2.167 653 K HA 0.475 4.797 4.320 0.004 0.000 0.275 653 K C 0.467 177.159 176.600 0.154 0.000 1.103 653 K CA -0.071 56.247 56.287 0.051 0.000 0.963 653 K CB -0.913 31.585 32.500 -0.003 0.000 1.243 653 K HN 0.535 nan 8.250 nan 0.000 0.407 654 Q N 0.381 120.253 119.800 0.120 0.000 2.364 654 Q HA 0.378 4.720 4.340 0.004 0.000 0.267 654 Q C -0.412 175.631 176.000 0.072 0.000 0.999 654 Q CA -0.439 55.437 55.803 0.120 0.000 0.886 654 Q CB 1.182 29.957 28.738 0.062 0.000 1.243 654 Q HN 0.458 nan 8.270 nan 0.000 0.415 655 V N 4.128 124.082 119.914 0.066 0.000 2.577 655 V HA 0.496 4.618 4.120 0.004 0.000 0.303 655 V C -0.401 175.629 176.094 -0.105 0.000 1.042 655 V CA -0.629 61.609 62.300 -0.103 0.000 0.872 655 V CB 1.629 33.392 31.823 -0.100 0.000 0.998 655 V HN 0.624 nan 8.190 nan 0.000 0.423 656 I N 3.531 123.937 120.570 -0.273 0.000 2.530 656 I HA 0.519 4.692 4.170 0.004 0.000 0.297 656 I C -0.915 175.066 176.117 -0.226 0.000 1.011 656 I CA -0.415 60.833 61.300 -0.086 0.000 1.107 656 I CB 2.114 40.082 38.000 -0.053 0.000 1.285 656 I HN 0.458 nan 8.210 nan 0.000 0.436 657 W N 4.284 125.578 121.300 -0.010 0.000 2.785 657 W HA 0.754 5.415 4.660 0.003 0.000 0.333 657 W C -0.519 176.008 176.519 0.013 0.000 1.062 657 W CA -0.763 56.577 57.345 -0.009 0.000 1.233 657 W CB 2.299 31.758 29.460 -0.002 0.000 1.413 657 W HN 0.460 nan 8.180 nan 0.000 0.489 658 A N 1.682 124.623 122.820 0.202 0.000 2.515 658 A HA 0.994 5.316 4.320 0.004 0.000 0.296 658 A C -1.520 176.202 177.584 0.229 0.000 1.094 658 A CA -0.567 51.579 52.037 0.183 0.000 0.718 658 A CB 1.863 20.905 19.000 0.070 0.000 1.307 658 A HN 0.792 nan 8.150 nan 0.000 0.408 659 A N 0.442 123.448 122.820 0.310 0.000 2.594 659 A HA 0.671 4.993 4.320 0.004 0.000 0.295 659 A C -1.896 175.796 177.584 0.180 0.000 1.071 659 A CA -0.327 51.874 52.037 0.273 0.000 0.685 659 A CB 1.590 20.670 19.000 0.132 0.000 1.285 659 A HN 0.873 nan 8.150 nan 0.000 0.405 660 D N 1.946 122.283 120.400 -0.104 0.000 2.473 660 D HA 0.527 5.169 4.640 0.004 0.000 0.226 660 D C -1.961 174.150 176.300 -0.314 0.000 1.089 660 D CA -1.887 51.854 54.000 -0.431 0.000 0.883 660 D CB 1.467 41.636 40.800 -1.053 0.000 1.029 660 D HN 0.073 nan 8.370 nan 0.000 0.517 661 P HA -0.056 nan 4.420 nan 0.000 0.221 661 P C 1.160 178.202 177.300 -0.430 0.000 1.145 661 P CA 0.795 63.619 63.100 -0.460 0.000 0.795 661 P CB 0.256 31.385 31.700 -0.951 0.000 0.775 662 L N -1.693 119.277 121.223 -0.420 0.000 2.509 662 L HA 0.057 4.399 4.340 0.004 0.000 0.222 662 L C 0.638 177.430 176.870 -0.129 0.000 1.123 662 L CA 0.250 54.959 54.840 -0.218 0.000 0.856 662 L CB -0.785 41.193 42.059 -0.136 0.000 0.985 662 L HN -0.058 nan 8.230 nan 0.000 0.456 663 Q N 0.603 120.308 119.800 -0.159 0.000 2.439 663 Q HA -0.311 4.031 4.340 0.004 0.000 0.325 663 Q C 1.053 177.009 176.000 -0.074 0.000 1.372 663 Q CA 1.028 56.779 55.803 -0.086 0.000 0.909 663 Q CB -0.928 27.832 28.738 0.036 0.000 1.167 663 Q HN 0.536 nan 8.270 nan 0.000 0.418 664 K N -0.619 119.703 120.400 -0.130 0.000 2.485 664 K HA 0.085 4.407 4.320 0.004 0.000 0.200 664 K C 0.010 176.562 176.600 -0.080 0.000 1.344 664 K CA -0.186 56.054 56.287 -0.079 0.000 0.948 664 K CB 0.725 33.190 32.500 -0.058 0.000 1.454 664 K HN 0.055 nan 8.250 nan 0.000 0.502 665 E N 1.694 121.797 120.200 -0.163 0.000 2.373 665 E HA 0.050 4.402 4.350 0.004 0.000 0.263 665 E C 0.382 177.013 176.600 0.052 0.000 1.073 665 E CA 0.053 56.407 56.400 -0.076 0.000 0.894 665 E CB 1.310 30.943 29.700 -0.113 0.000 1.008 665 E HN 0.119 nan 8.360 nan 0.000 0.420 666 K N 0.266 120.754 120.400 0.147 0.000 2.168 666 K HA 0.070 4.392 4.320 0.004 0.000 0.201 666 K C 1.153 177.915 176.600 0.270 0.000 1.049 666 K CA 0.815 57.204 56.287 0.170 0.000 0.974 666 K CB 0.081 32.633 32.500 0.087 0.000 0.792 666 K HN 0.734 nan 8.250 nan 0.000 0.463 667 T N -2.372 112.344 114.554 0.270 0.000 2.754 667 T HA 0.801 5.153 4.350 0.004 0.000 0.296 667 T C -1.341 173.480 174.700 0.202 0.000 1.205 667 T CA -0.652 61.533 62.100 0.143 0.000 1.009 667 T CB 2.215 71.090 68.868 0.011 0.000 1.368 667 T HN 0.144 nan 8.240 nan 0.000 0.509 668 A N 0.024 122.848 122.820 0.007 0.000 2.586 668 A HA 0.710 5.032 4.320 0.004 0.000 0.291 668 A C -1.678 175.861 177.584 -0.074 0.000 1.062 668 A CA -0.751 51.310 52.037 0.041 0.000 0.666 668 A CB 1.349 20.462 19.000 0.188 0.000 1.281 668 A HN 1.209 nan 8.150 nan 0.000 0.421 669 V N 1.010 120.890 119.914 -0.056 0.000 2.540 669 V HA 0.610 4.732 4.120 0.004 0.000 0.302 669 V C -0.930 175.109 176.094 -0.092 0.000 1.035 669 V CA -0.474 61.779 62.300 -0.079 0.000 0.873 669 V CB 1.409 33.198 31.823 -0.057 0.000 0.992 669 V HN 0.800 nan 8.190 nan 0.000 0.428 670 L N 4.281 125.444 121.223 -0.101 0.000 2.322 670 L HA 0.696 5.039 4.340 0.004 0.000 0.281 670 L C 0.092 176.916 176.870 -0.077 0.000 1.014 670 L CA 0.608 55.386 54.840 -0.104 0.000 0.815 670 L CB 1.993 43.993 42.059 -0.098 0.000 1.247 670 L HN 0.711 nan 8.230 nan 0.000 0.421 671 S N 5.373 121.031 115.700 -0.069 0.000 2.503 671 S HA 0.701 5.173 4.470 0.004 0.000 0.301 671 S C -0.754 173.827 174.600 -0.031 0.000 1.087 671 S CA -0.509 57.663 58.200 -0.047 0.000 1.042 671 S CB 1.593 64.768 63.200 -0.041 0.000 1.043 671 S HN 0.361 nan 8.310 nan 0.000 0.489 672 I N 2.941 123.496 120.570 -0.024 0.000 2.466 672 I HA 0.344 4.516 4.170 0.004 0.000 0.279 672 I C 0.061 176.170 176.117 -0.014 0.000 1.033 672 I CA -0.296 60.996 61.300 -0.014 0.000 1.123 672 I CB 1.050 39.042 38.000 -0.013 0.000 1.237 672 I HN 0.570 nan 8.210 nan 0.000 0.460 673 R N 4.687 125.180 120.500 -0.010 0.000 2.265 673 R HA 0.223 4.565 4.340 0.004 0.000 0.319 673 R C -0.319 175.975 176.300 -0.010 0.000 1.006 673 R CA -0.470 55.623 56.100 -0.010 0.000 0.880 673 R CB 1.180 31.476 30.300 -0.008 0.000 1.077 673 R HN 0.537 nan 8.270 nan 0.000 0.454 674 D N 5.223 125.616 120.400 -0.011 0.000 2.325 674 D HA -0.007 4.635 4.640 0.004 0.000 0.251 674 D C 1.107 177.401 176.300 -0.010 0.000 1.196 674 D CA -0.314 53.679 54.000 -0.011 0.000 0.866 674 D CB 1.120 41.914 40.800 -0.009 0.000 1.101 674 D HN 0.468 nan 8.370 nan 0.000 0.476 675 L N 4.860 126.077 121.223 -0.011 0.000 2.079 675 L HA -0.177 4.165 4.340 0.004 0.000 0.210 675 L C 2.429 179.294 176.870 -0.007 0.000 1.081 675 L CA 1.392 56.227 54.840 -0.009 0.000 0.752 675 L CB -0.736 41.316 42.059 -0.011 0.000 0.896 675 L HN 0.456 nan 8.230 nan 0.000 0.433 676 K N -0.518 119.877 120.400 -0.007 0.000 2.007 676 K HA -0.079 4.243 4.320 0.004 0.000 0.206 676 K C 2.116 178.713 176.600 -0.005 0.000 1.047 676 K CA 1.894 58.178 56.287 -0.006 0.000 0.937 676 K CB -0.237 32.260 32.500 -0.005 0.000 0.718 676 K HN 0.490 nan 8.250 nan 0.000 0.438 677 T N -3.106 111.445 114.554 -0.006 0.000 3.043 677 T HA 0.103 4.455 4.350 0.004 0.000 0.263 677 T C 1.401 176.097 174.700 -0.006 0.000 1.094 677 T CA 1.211 63.308 62.100 -0.006 0.000 1.127 677 T CB 0.021 68.885 68.868 -0.006 0.000 0.905 677 T HN 0.394 nan 8.240 nan 0.000 0.490 678 G N 1.520 110.316 108.800 -0.007 0.000 2.184 678 G HA2 -0.241 3.721 3.960 0.004 0.000 0.264 678 G HA3 -0.241 3.721 3.960 0.004 0.000 0.264 678 G C 0.099 174.994 174.900 -0.008 0.000 0.975 678 G CA 0.169 45.264 45.100 -0.007 0.000 0.642 678 G HN 0.607 nan 8.290 nan 0.000 0.536 679 K N 1.287 121.682 120.400 -0.009 0.000 2.350 679 K HA 0.494 4.816 4.320 0.004 0.000 0.279 679 K C 0.138 176.730 176.600 -0.012 0.000 1.027 679 K CA 0.391 56.672 56.287 -0.010 0.000 0.969 679 K CB 0.972 33.466 32.500 -0.010 0.000 0.954 679 K HN 0.216 nan 8.250 nan 0.000 0.474 680 T N 3.001 117.547 114.554 -0.014 0.000 2.848 680 T HA 0.351 4.703 4.350 0.004 0.000 0.285 680 T C -0.334 174.354 174.700 -0.020 0.000 0.995 680 T CA -0.932 61.158 62.100 -0.016 0.000 0.970 680 T CB 1.130 69.988 68.868 -0.017 0.000 0.976 680 T HN 0.309 nan 8.240 nan 0.000 0.441 681 N N 2.388 121.074 118.700 -0.023 0.000 2.405 681 N HA 0.491 5.233 4.740 0.004 0.000 0.299 681 N C -0.503 174.987 175.510 -0.034 0.000 1.075 681 N CA -0.674 52.359 53.050 -0.028 0.000 0.884 681 N CB 1.984 40.454 38.487 -0.027 0.000 1.194 681 N HN 0.432 nan 8.380 nan 0.000 0.491 682 R N 0.571 121.047 120.500 -0.040 0.000 2.599 682 R HA 0.628 4.970 4.340 0.004 0.000 0.295 682 R C -0.960 175.304 176.300 -0.060 0.000 0.963 682 R CA -0.868 55.203 56.100 -0.048 0.000 0.883 682 R CB 1.929 32.203 30.300 -0.044 0.000 1.171 682 R HN 0.202 nan 8.270 nan 0.000 0.450 683 V N 2.791 122.661 119.914 -0.073 0.000 2.487 683 V HA 0.271 4.393 4.120 0.004 0.000 0.298 683 V C -0.279 175.748 176.094 -0.111 0.000 1.028 683 V CA -0.989 61.255 62.300 -0.092 0.000 0.860 683 V CB 1.728 33.492 31.823 -0.099 0.000 0.991 683 V HN 0.560 nan 8.190 nan 0.000 0.427 684 K N 4.566 124.895 120.400 -0.118 0.000 2.249 684 K HA 0.531 4.853 4.320 0.004 0.000 0.280 684 K C -0.884 175.597 176.600 -0.198 0.000 1.033 684 K CA 0.074 56.278 56.287 -0.137 0.000 0.946 684 K CB 0.630 33.061 32.500 -0.114 0.000 1.005 684 K HN 0.632 nan 8.250 nan 0.000 0.469 685 I N 4.187 124.595 120.570 -0.270 0.000 2.354 685 I HA 0.195 4.367 4.170 0.004 0.000 0.286 685 I C -0.655 175.149 176.117 -0.522 0.000 1.007 685 I CA -0.616 60.410 61.300 -0.456 0.000 1.167 685 I CB 1.539 39.139 38.000 -0.667 0.000 1.320 685 I HN 0.506 nan 8.210 nan 0.000 0.458 686 D N 7.631 127.793 120.400 -0.397 0.000 2.443 686 D HA 0.268 4.910 4.640 0.004 0.000 0.221 686 D C -0.394 175.756 176.300 -0.250 0.000 1.097 686 D CA -0.167 53.678 54.000 -0.258 0.000 0.865 686 D CB 0.996 41.705 40.800 -0.153 0.000 1.034 686 D HN 0.170 nan 8.370 nan 0.000 0.511 687 F N 2.509 122.424 119.950 -0.058 0.000 2.484 687 F HA 0.195 4.723 4.527 0.003 0.000 0.360 687 F C -1.537 174.217 175.800 -0.078 0.000 1.101 687 F CA -1.753 56.207 58.000 -0.067 0.000 1.251 687 F CB 0.314 39.283 39.000 -0.051 0.000 1.132 687 F HN 0.062 nan 8.300 nan 0.000 0.570 688 P HA 0.013 nan 4.420 nan 0.000 0.266 688 P C -0.809 176.511 177.300 0.033 0.000 1.195 688 P CA -0.009 63.086 63.100 -0.010 0.000 0.768 688 P CB 0.552 32.194 31.700 -0.097 0.000 0.838 689 Q N 1.968 121.789 119.800 0.035 0.000 2.333 689 Q HA 0.351 4.693 4.340 0.004 0.000 0.266 689 Q C 0.369 176.391 176.000 0.037 0.000 1.053 689 Q CA -0.635 55.193 55.803 0.041 0.000 0.890 689 Q CB 1.225 29.984 28.738 0.035 0.000 1.337 689 Q HN 0.345 nan 8.270 nan 0.000 0.474 690 Q N 0.056 119.864 119.800 0.014 0.000 1.555 690 Q HA -0.305 4.037 4.340 0.004 0.000 0.344 690 Q C 1.117 176.933 176.000 -0.307 0.000 0.887 690 Q CA 2.230 57.992 55.803 -0.069 0.000 0.829 690 Q CB -1.352 27.328 28.738 -0.095 0.000 3.625 690 Q HN 0.737 nan 8.270 nan 0.000 0.622 691 E N -0.194 119.563 120.200 -0.739 0.000 2.219 691 E HA -0.098 4.254 4.350 0.004 0.000 0.198 691 E C 1.361 177.543 176.600 -0.696 0.000 0.998 691 E CA 1.756 57.392 56.400 -1.273 0.000 0.818 691 E CB -0.248 28.308 29.700 -1.905 0.000 0.741 691 E HN 0.429 nan 8.360 nan 0.000 0.477 692 F N 0.328 120.133 119.950 -0.241 0.000 2.693 692 F HA 0.344 4.873 4.527 0.003 0.000 0.303 692 F C 0.796 176.342 175.800 -0.423 0.000 1.097 692 F CA -0.367 57.463 58.000 -0.284 0.000 1.330 692 F CB -0.073 38.736 39.000 -0.318 0.000 1.067 692 F HN -0.143 nan 8.300 nan 0.000 0.565 693 A N 0.565 123.359 122.820 -0.044 0.000 2.545 693 A HA 0.416 4.738 4.320 0.004 0.000 0.253 693 A C 1.474 179.017 177.584 -0.068 0.000 1.074 693 A CA 0.922 52.949 52.037 -0.017 0.000 0.760 693 A CB -0.719 18.340 19.000 0.100 0.000 1.005 693 A HN 0.889 nan 8.150 nan 0.000 0.506 694 G N 1.006 109.715 108.800 -0.152 0.000 2.238 694 G HA2 0.179 4.141 3.960 0.004 0.000 0.217 694 G HA3 0.179 4.141 3.960 0.004 0.000 0.217 694 G C 0.633 175.387 174.900 -0.244 0.000 0.996 694 G CA 0.285 45.333 45.100 -0.087 0.000 0.632 694 G HN 2.118 nan 8.290 nan 0.000 0.503 695 A N 0.421 122.787 122.820 -0.758 0.000 2.366 695 A HA 0.676 4.998 4.320 0.004 0.000 0.249 695 A C 0.757 178.179 177.584 -0.271 0.000 1.084 695 A CA 1.207 52.722 52.037 -0.870 0.000 0.794 695 A CB 0.271 18.428 19.000 -1.404 0.000 1.034 695 A HN 0.745 nan 8.150 nan 0.000 0.491 696 T N 0.478 114.960 114.554 -0.120 0.000 2.910 696 T HA 0.437 4.790 4.350 0.004 0.000 0.293 696 T C -0.306 174.415 174.700 0.035 0.000 1.015 696 T CA -0.121 62.002 62.100 0.039 0.000 1.094 696 T CB 1.139 70.081 68.868 0.124 0.000 0.968 696 T HN 0.932 nan 8.240 nan 0.000 0.521 697 V N 2.778 122.728 119.914 0.059 0.000 2.531 697 V HA 0.458 4.580 4.120 0.004 0.000 0.301 697 V C -0.408 175.663 176.094 -0.039 0.000 1.034 697 V CA -0.897 61.393 62.300 -0.017 0.000 0.865 697 V CB 1.677 33.442 31.823 -0.097 0.000 0.995 697 V HN 0.957 nan 8.190 nan 0.000 0.424 698 E N 6.223 126.346 120.200 -0.128 0.000 2.229 698 E HA 0.425 4.777 4.350 0.004 0.000 0.283 698 E C -0.650 175.712 176.600 -0.396 0.000 1.030 698 E CA -0.507 55.595 56.400 -0.498 0.000 0.836 698 E CB 1.018 30.358 29.700 -0.600 0.000 1.068 698 E HN 0.742 nan 8.360 nan 0.000 0.401 699 L N 0.000 120.970 121.223 -0.421 0.000 2.949 699 L HA 0.000 4.342 4.340 0.004 0.000 0.249 699 L CA 0.000 54.663 54.840 -0.294 0.000 0.813 699 L CB 0.000 41.915 42.059 -0.240 0.000 0.961 699 L HN 0.000 nan 8.230 nan 0.000 0.502